smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCOCCNCCC[N@@H+]1CCCC[C@H]1C ZINC000049261898 520780301 /nfs/dbraw/zinc/78/03/01/520780301.db2.gz ARAUUOWFEAMAOG-OAHLLOKOSA-N 1 1 256.434 2.657 10 0 CFAEMO CCCCOCCNCCC[N@H+]1CCCC[C@H]1C ZINC000049261898 520780310 /nfs/dbraw/zinc/78/03/10/520780310.db2.gz ARAUUOWFEAMAOG-OAHLLOKOSA-N 1 1 256.434 2.657 10 0 CFAEMO CCN(C[C@@H]1CCCO1)[C@@H](C)CC[NH2+]CC(C)C ZINC000052511181 521228006 /nfs/dbraw/zinc/22/80/06/521228006.db2.gz AWFFFBXPRFYGQK-GJZGRUSLSA-N 1 1 256.434 2.512 10 0 CFAEMO COC[C@@](C)([NH2+]C1CC1)c1nc(C(C)C)cs1 ZINC000053199799 522530381 /nfs/dbraw/zinc/53/03/81/522530381.db2.gz QAOCGEOFGJMTSP-CYBMUJFWSA-N 1 1 254.399 2.880 10 0 CFAEMO CC(C)(C)[C@H]1CC[N@@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000228559180 518978208 /nfs/dbraw/zinc/97/82/08/518978208.db2.gz CHVHHOPXBAWQKP-DLBZAZTESA-N 1 1 291.435 2.932 10 0 CFAEMO CC(C)(CC(=O)N1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000195338983 519186434 /nfs/dbraw/zinc/18/64/34/519186434.db2.gz COZPEIFQHWUTHR-INIZCTEOSA-N 1 1 286.419 2.661 10 0 CFAEMO CC(C)C[C@H](C)CC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000246234229 519302406 /nfs/dbraw/zinc/30/24/06/519302406.db2.gz URCBAFCATUKPAZ-GJZGRUSLSA-N 1 1 266.429 2.755 10 0 CFAEMO CC(C)CCOCC[N@H+]1CCc2c(N)cccc2C1 ZINC000049267783 519666316 /nfs/dbraw/zinc/66/63/16/519666316.db2.gz ZYLPDIURAJNLCQ-UHFFFAOYSA-N 1 1 262.397 2.690 10 0 CFAEMO CC(C)[C@@H]1C[N@H+](C[C@@H]2CCCO2)[C@H](c2ccccc2)CN1 ZINC000062704776 519804290 /nfs/dbraw/zinc/80/42/90/519804290.db2.gz JEAZGGNEQDQNKS-BZSNNMDCSA-N 1 1 288.435 2.837 10 0 CFAEMO CC(C)[C@@H]1C[N@@H+](C[C@@H]2CCCO2)[C@H](c2ccccc2)CN1 ZINC000062704776 519804291 /nfs/dbraw/zinc/80/42/91/519804291.db2.gz JEAZGGNEQDQNKS-BZSNNMDCSA-N 1 1 288.435 2.837 10 0 CFAEMO CCCN1CCN(Cc2occc2C[NH2+]C(C)(C)C)CC1 ZINC000052421844 519859345 /nfs/dbraw/zinc/85/93/45/519859345.db2.gz JETMKHGRULTGKO-UHFFFAOYSA-N 1 1 293.455 2.695 10 0 CFAEMO CCCn1ncnc1C[NH2+][C@@H](C)c1ccccc1C ZINC000088590594 519895297 /nfs/dbraw/zinc/89/52/97/519895297.db2.gz RCTBORNPHCYUJL-ZDUSSCGKSA-N 1 1 258.369 2.847 10 0 CFAEMO CC[NH2+]Cc1c[nH]c(-c2nccc3ccccc32)n1 ZINC000069316364 519985347 /nfs/dbraw/zinc/98/53/47/519985347.db2.gz XEJKXTBONVGUAR-UHFFFAOYSA-N 1 1 252.321 2.734 10 0 CFAEMO CC[NH2+]Cc1nc2c([nH]1)CC[C@@H](c1ccccc1)C2 ZINC000069236392 520023291 /nfs/dbraw/zinc/02/32/91/520023291.db2.gz XOMOAEOJDNACFO-CYBMUJFWSA-N 1 1 255.365 2.792 10 0 CFAEMO CCNc1ccc(C[N@@H+]2C[C@@H](C)OC[C@@H]2CC)cn1 ZINC000050817348 520303342 /nfs/dbraw/zinc/30/33/42/520303342.db2.gz XQFACRRUKPRQSM-OCCSQVGLSA-N 1 1 263.385 2.513 10 0 CFAEMO CCNc1ccc(C[N@H+]2C[C@@H](C)OC[C@@H]2CC)cn1 ZINC000050817348 520303351 /nfs/dbraw/zinc/30/33/51/520303351.db2.gz XQFACRRUKPRQSM-OCCSQVGLSA-N 1 1 263.385 2.513 10 0 CFAEMO CC1(C)CC[NH+](CCc2nc3ccc(N)cc3[nH]2)CC1 ZINC000061818262 520377067 /nfs/dbraw/zinc/37/70/67/520377067.db2.gz JWENPJSYPNXZNV-UHFFFAOYSA-N 1 1 272.396 2.810 10 0 CFAEMO CC1(C)CN(Cc2ccc(C[NH2+]C3CC3)cc2)CCO1 ZINC000052481877 520480037 /nfs/dbraw/zinc/48/00/37/520480037.db2.gz IEMKMVIATBBRMQ-UHFFFAOYSA-N 1 1 274.408 2.549 10 0 CFAEMO CCOC(=O)CC[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000195440355 520677981 /nfs/dbraw/zinc/67/79/81/520677981.db2.gz KKOFBVNFQJSYRY-LLVKDONJSA-N 1 1 268.382 2.623 10 0 CFAEMO CCOC(=O)CC[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000195440355 520677999 /nfs/dbraw/zinc/67/79/99/520677999.db2.gz KKOFBVNFQJSYRY-LLVKDONJSA-N 1 1 268.382 2.623 10 0 CFAEMO CCOc1cc(CN[C@H](C)C[NH+]2CCCC2)ccc1OC ZINC000048567560 520730434 /nfs/dbraw/zinc/73/04/34/520730434.db2.gz LTNGBQYHTQLMHR-CQSZACIVSA-N 1 1 292.423 2.668 10 0 CFAEMO CCCCOC[C@@H](O)C[N@H+]1CCC[C@@H](CC)CC1 ZINC000227907157 520798463 /nfs/dbraw/zinc/79/84/63/520798463.db2.gz KOYZBLMXNGKKNL-CABCVRRESA-N 1 1 257.418 2.676 10 0 CFAEMO CC[NH+](CC)[C@@H](CNc1nccn1C)c1ccccc1 ZINC000050605642 520839837 /nfs/dbraw/zinc/83/98/37/520839837.db2.gz DYDHCPAUQHHFLU-HNNXBMFYSA-N 1 1 272.396 2.915 10 0 CFAEMO CCCCSCCC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000159052085 520952247 /nfs/dbraw/zinc/95/22/47/520952247.db2.gz SCPMKWNMDCNDLQ-KBPBESRZSA-N 1 1 286.485 2.755 10 0 CFAEMO CC[N@@H+](CC1CC1)[C@@H](c1ccc(OC)cc1)[C@@H](C)N ZINC000069237092 520967960 /nfs/dbraw/zinc/96/79/60/520967960.db2.gz JRPZOCGKBHWQKP-MLGOLLRUSA-N 1 1 262.397 2.815 10 0 CFAEMO CCN(CC1CC1)[C@@H](c1ccc(OC)cc1)[C@@H](C)[NH3+] ZINC000069237092 520967966 /nfs/dbraw/zinc/96/79/66/520967966.db2.gz JRPZOCGKBHWQKP-MLGOLLRUSA-N 1 1 262.397 2.815 10 0 CFAEMO CCC[C@H](C(=O)N1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000195309297 520975613 /nfs/dbraw/zinc/97/56/13/520975613.db2.gz FSYGSXHIOQIBEP-SJORKVTESA-N 1 1 286.419 2.877 10 0 CFAEMO CC[N@@H+](CCCCCO)C1(CN)CCCCCC1 ZINC000051020388 521000208 /nfs/dbraw/zinc/00/02/08/521000208.db2.gz ONQFCXVCQNFCPI-UHFFFAOYSA-N 1 1 256.434 2.523 10 0 CFAEMO CCCC[C@@](CC)(CN)[N@@H+](CCOC)CC(C)C ZINC000069380330 521120851 /nfs/dbraw/zinc/12/08/51/521120851.db2.gz SORIGEGRLCPYMW-HNNXBMFYSA-N 1 1 258.450 2.889 10 0 CFAEMO CCCC[C@@](CC)(CN)[N@H+](C)CCc1ccccn1 ZINC000069379497 521121628 /nfs/dbraw/zinc/12/16/28/521121628.db2.gz XBSOQXNRWSUXES-INIZCTEOSA-N 1 1 263.429 2.854 10 0 CFAEMO CCCC[C@@](CC)(CN)[N@@H+](C)CCc1ccccn1 ZINC000069379497 521121635 /nfs/dbraw/zinc/12/16/35/521121635.db2.gz XBSOQXNRWSUXES-INIZCTEOSA-N 1 1 263.429 2.854 10 0 CFAEMO CCCC[C@@](CC)(CN)[N@H+](CCN(C)C)CC(C)C ZINC000069380551 521121832 /nfs/dbraw/zinc/12/18/32/521121832.db2.gz JBGBBHJUVSTQBH-INIZCTEOSA-N 1 1 271.493 2.804 10 0 CFAEMO CCCC[C@@](CC)(CN)[N@@H+](CCN(C)C)CC(C)C ZINC000069380551 521121836 /nfs/dbraw/zinc/12/18/36/521121836.db2.gz JBGBBHJUVSTQBH-INIZCTEOSA-N 1 1 271.493 2.804 10 0 CFAEMO CC[N@@H+](CC[C@@H](N)c1ccc(F)cc1)CC1CC1 ZINC000069239901 521155001 /nfs/dbraw/zinc/15/50/01/521155001.db2.gz JUQJPOCTNKSNPA-OAHLLOKOSA-N 1 1 250.361 2.948 10 0 CFAEMO CCC[C@H]([NH2+][C@H](C)CCn1cccn1)C(=O)OC(C)(C)C ZINC000157481612 521174817 /nfs/dbraw/zinc/17/48/17/521174817.db2.gz RUESRMYFNVOZIG-KGLIPLIRSA-N 1 1 295.427 2.762 10 0 CFAEMO CC[N@@H+](C[C@@H](O)COCc1ccccc1)CC1CCC1 ZINC000230327900 521216395 /nfs/dbraw/zinc/21/63/95/521216395.db2.gz MHLMQZWBIWRXBH-QGZVFWFLSA-N 1 1 277.408 2.686 10 0 CFAEMO CCC(C)(C)[N@@H+](C)CCCC(=O)Nc1ccccc1C[NH3+] ZINC000069429256 521301374 /nfs/dbraw/zinc/30/13/74/521301374.db2.gz ARHJSLLTFZDVAF-UHFFFAOYSA-N 1 1 291.439 2.984 10 0 CFAEMO CCC(C)(C)[N@@H+](C)[C@H](C)C(=O)Nc1ccc(N)cc1OC ZINC000069427874 521308368 /nfs/dbraw/zinc/30/83/68/521308368.db2.gz APXBXTVBIWJKNF-LLVKDONJSA-N 1 1 293.411 2.725 10 0 CFAEMO CCC(C)(C)[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1N ZINC000069428572 521309328 /nfs/dbraw/zinc/30/93/28/521309328.db2.gz XODRGLMVZRTKFA-LLVKDONJSA-N 1 1 263.385 2.716 10 0 CFAEMO CCC(CC)[N@@H+](CCOC)[C@H]1CNCc2ccccc21 ZINC000069266592 521562307 /nfs/dbraw/zinc/56/23/07/521562307.db2.gz MOFHRIYJWXQDGF-KRWDZBQOSA-N 1 1 276.424 2.968 10 0 CFAEMO CCC(CC)N(CCOC)[C@H]1C[NH2+]Cc2ccccc21 ZINC000069266592 521562315 /nfs/dbraw/zinc/56/23/15/521562315.db2.gz MOFHRIYJWXQDGF-KRWDZBQOSA-N 1 1 276.424 2.968 10 0 CFAEMO CC[N@@H+]1CCC[C@@H](n2c(N)nc3cccc(Cl)c32)C1 ZINC000049220604 521627492 /nfs/dbraw/zinc/62/74/92/521627492.db2.gz ZXKMVRKPBGWAQR-SNVBAGLBSA-N 1 1 278.787 2.929 10 0 CFAEMO CC[N@H+]1CCC[C@@H](n2c(N)nc3cccc(Cl)c32)C1 ZINC000049220604 521627496 /nfs/dbraw/zinc/62/74/96/521627496.db2.gz ZXKMVRKPBGWAQR-SNVBAGLBSA-N 1 1 278.787 2.929 10 0 CFAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)Cc1ccccc1 ZINC000245423574 521630320 /nfs/dbraw/zinc/63/03/20/521630320.db2.gz BNANHLGYJHRWFB-NVXWUHKLSA-N 1 1 288.435 2.808 10 0 CFAEMO CCC[N@@H+](C[C@H](N)c1cccc(OC)c1)CC1CC1 ZINC000048992544 521676357 /nfs/dbraw/zinc/67/63/57/521676357.db2.gz MHAMMCLAMHBSAN-INIZCTEOSA-N 1 1 262.397 2.817 10 0 CFAEMO CCC[N@@H+](Cc1nc2sccc2c(N)n1)C(C)C ZINC000050813143 521695149 /nfs/dbraw/zinc/69/51/49/521695149.db2.gz RWXXMMDIJHMIMQ-UHFFFAOYSA-N 1 1 264.398 2.894 10 0 CFAEMO C[NH+](C)[C@H](C(=O)N[C@@H]1COc2ccccc21)c1ccccc1 ZINC000060479936 522065356 /nfs/dbraw/zinc/06/53/56/522065356.db2.gz OIVVYOUUBVYHKU-WBVHZDCISA-N 1 1 296.370 2.539 10 0 CFAEMO CNCc1cc(C[N@H+](C)C2CCCCCC2)on1 ZINC000052482053 522104352 /nfs/dbraw/zinc/10/43/52/522104352.db2.gz DSLUNGFIVJTFCY-UHFFFAOYSA-N 1 1 251.374 2.549 10 0 CFAEMO CNCc1cc(C[N@@H+](C)C2CCCCCC2)on1 ZINC000052482053 522104359 /nfs/dbraw/zinc/10/43/59/522104359.db2.gz DSLUNGFIVJTFCY-UHFFFAOYSA-N 1 1 251.374 2.549 10 0 CFAEMO CCc1csc([C@H]2CCC[N@@H+](CCOC)C2)n1 ZINC000195377483 522116625 /nfs/dbraw/zinc/11/66/25/522116625.db2.gz VFSQGTSRHIJJTF-NSHDSACASA-N 1 1 254.399 2.531 10 0 CFAEMO CC[C@H](C[NH2+]C(C)C)N1CCN(C)C[C@@H]1c1ccccc1 ZINC000052416945 522190999 /nfs/dbraw/zinc/19/09/99/522190999.db2.gz ZRYZTXNTYLAOAJ-QZTJIDSGSA-N 1 1 289.467 2.752 10 0 CFAEMO COC(=O)c1cccnc1C[N@@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000312299354 522293018 /nfs/dbraw/zinc/29/30/18/522293018.db2.gz TWTXBNRWGZWBLQ-QWHCGFSZSA-N 1 1 276.380 2.879 10 0 CFAEMO CC[C@@H](C)[C@H](C)NC(=O)c1cc2ccccc2c(NN)[nH+]1 ZINC000051112960 522358448 /nfs/dbraw/zinc/35/84/48/522358448.db2.gz DIYLHUSYONZMCG-MNOVXSKESA-N 1 1 286.379 2.685 10 0 CFAEMO C[NH2+][C@@H](c1nnc(-c2scnc2C)o1)c1ccccc1 ZINC000050617940 522375267 /nfs/dbraw/zinc/37/52/67/522375267.db2.gz YWNXTZTZVYUWKY-LLVKDONJSA-N 1 1 286.360 2.810 10 0 CFAEMO COc1cc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)cc(OC)c1 ZINC000245542992 522390234 /nfs/dbraw/zinc/39/02/34/522390234.db2.gz QNHPVCZQVKWPLY-SJORKVTESA-N 1 1 291.391 2.847 10 0 CFAEMO COc1cc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)cc(OC)c1 ZINC000245542992 522390241 /nfs/dbraw/zinc/39/02/41/522390241.db2.gz QNHPVCZQVKWPLY-SJORKVTESA-N 1 1 291.391 2.847 10 0 CFAEMO CC[C@@H](C)[C@H](c1nnc(C[NH2+]C)o1)c1ccccc1 ZINC000050615402 522400990 /nfs/dbraw/zinc/40/09/90/522400990.db2.gz BRUGJHYYXUWLRK-RISCZKNCSA-N 1 1 259.353 2.967 10 0 CFAEMO C[NH2+][C@H](c1cncc(F)c1)c1ccc(F)cc1F ZINC000062774383 522485716 /nfs/dbraw/zinc/48/57/16/522485716.db2.gz VFEZLAAKTAEBQU-CYBMUJFWSA-N 1 1 252.239 2.808 10 0 CFAEMO COc1cc(N)ccc1NC(=O)[C@H](C)[N@@H+](C)CCC(C)C ZINC000048922816 522627899 /nfs/dbraw/zinc/62/78/99/522627899.db2.gz VXWGRPSLISDPLM-LBPRGKRZSA-N 1 1 293.411 2.582 10 0 CFAEMO CNc1nc2ccccc2cc1C[N@@H+](C)[C@@H](C)COC ZINC000050815195 522689137 /nfs/dbraw/zinc/68/91/37/522689137.db2.gz HGZYBZXCNOIITA-LBPRGKRZSA-N 1 1 273.380 2.743 10 0 CFAEMO CNc1nc2ccccc2cc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000050792388 522690595 /nfs/dbraw/zinc/69/05/95/522690595.db2.gz RGGAOKAVHJDIAV-STQMWFEESA-N 1 1 285.391 2.886 10 0 CFAEMO CNc1nc2ccccc2cc1Cn1cc[nH+]c1C ZINC000050818401 522690946 /nfs/dbraw/zinc/69/09/46/522690946.db2.gz GKDVVGYWUHVOQE-UHFFFAOYSA-N 1 1 252.321 2.830 10 0 CFAEMO CNc1snnc1C[N@H+](C)C1CCCCCC1 ZINC000050814206 522730414 /nfs/dbraw/zinc/73/04/14/522730414.db2.gz RUCMWBCTFPYBLS-UHFFFAOYSA-N 1 1 254.403 2.734 10 0 CFAEMO CNc1snnc1C[N@@H+](C)C1CCCCCC1 ZINC000050814206 522730421 /nfs/dbraw/zinc/73/04/21/522730421.db2.gz RUCMWBCTFPYBLS-UHFFFAOYSA-N 1 1 254.403 2.734 10 0 CFAEMO CC[C@H]([NH2+][C@H]1CCCn2ncnc21)c1cccs1 ZINC000164703982 522753304 /nfs/dbraw/zinc/75/33/04/522753304.db2.gz LJPSOAGXIXOCKY-QWRGUYRKSA-N 1 1 262.382 2.915 10 0 CFAEMO CN(CC[N@H+]1CCO[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000246114402 522838105 /nfs/dbraw/zinc/83/81/05/522838105.db2.gz CFPSTAONNXWGDU-DLBZAZTESA-N 1 1 274.408 2.766 10 0 CFAEMO CC[C@@H]([NH2+][C@@H](C)CCN(C)C)c1ccc(O)cc1 ZINC000049553200 522909004 /nfs/dbraw/zinc/90/90/04/522909004.db2.gz XHLDYRQEHASZMF-SWLSCSKDSA-N 1 1 250.386 2.773 10 0 CFAEMO COc1cc([C@@H]([NH3+])c2ccco2)cc(Cl)c1OC ZINC000069321199 522912749 /nfs/dbraw/zinc/91/27/49/522912749.db2.gz ZLCRLRZORMDDPU-GFCCVEGCSA-N 1 1 267.712 2.998 10 0 CFAEMO COc1cc([C@H](C)N[C@@H](C)C[NH+]2CCCC2)ccc1O ZINC000049149560 522946113 /nfs/dbraw/zinc/94/61/13/522946113.db2.gz FXZWSRMCOBKNFR-STQMWFEESA-N 1 1 278.396 2.536 10 0 CFAEMO CC[C@@H]([NH2+][C@H]1CCCn2ncnc21)c1cccs1 ZINC000164704092 522949413 /nfs/dbraw/zinc/94/94/13/522949413.db2.gz LJPSOAGXIXOCKY-MNOVXSKESA-N 1 1 262.382 2.915 10 0 CFAEMO C[N@@H+](Cc1ccc(N)nc1)Cc1cccc(Cl)c1 ZINC000050815231 523262157 /nfs/dbraw/zinc/26/21/57/523262157.db2.gz SRIVCMWGFJHMDO-UHFFFAOYSA-N 1 1 261.756 2.949 10 0 CFAEMO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cc2ccccc2nc1N ZINC000050817292 523352453 /nfs/dbraw/zinc/35/24/53/523352453.db2.gz GQQLOFUYNCTAGO-DOMZBBRYSA-N 1 1 285.391 2.816 10 0 CFAEMO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cc2ccccc2nc1N ZINC000050817292 523352459 /nfs/dbraw/zinc/35/24/59/523352459.db2.gz GQQLOFUYNCTAGO-DOMZBBRYSA-N 1 1 285.391 2.816 10 0 CFAEMO CCn1cc(C2CC[NH+](Cc3cscn3)CC2)cn1 ZINC000195499717 523358266 /nfs/dbraw/zinc/35/82/66/523358266.db2.gz KVRJXQMMJSVXPS-UHFFFAOYSA-N 1 1 276.409 2.739 10 0 CFAEMO CN(c1cc(Cl)ccc1C(N)=S)[C@H]1CCC[N@@H+](C)C1 ZINC000062788545 523631522 /nfs/dbraw/zinc/63/15/22/523631522.db2.gz DUAPQSGOOHZNRI-NSHDSACASA-N 1 1 297.855 2.505 10 0 CFAEMO CC[C@@](C)(O)C[N@@H+]1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000162159994 523664484 /nfs/dbraw/zinc/66/44/84/523664484.db2.gz DRCVBSYPLALPIQ-JKSUJKDBSA-N 1 1 281.371 2.668 10 0 CFAEMO CC[C@@](C)(O)C[N@H+]1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000162159994 523664492 /nfs/dbraw/zinc/66/44/92/523664492.db2.gz DRCVBSYPLALPIQ-JKSUJKDBSA-N 1 1 281.371 2.668 10 0 CFAEMO CC[C@@]1(C)CC[N@@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000309596231 523713437 /nfs/dbraw/zinc/71/34/37/523713437.db2.gz AVBFLNZCAYLAHT-SJORKVTESA-N 1 1 277.408 2.686 10 0 CFAEMO C[N@H+]1CCCC[C@@H]1CNc1ccc(Cl)cc1C(N)=S ZINC000052859002 523794836 /nfs/dbraw/zinc/79/48/36/523794836.db2.gz XMCQJNQUEPGFHA-LLVKDONJSA-N 1 1 297.855 2.870 10 0 CFAEMO COC(=O)[C@@](C)(N)CCC[NH+]1CCC2(CCCCC2)CC1 ZINC000061821718 523816326 /nfs/dbraw/zinc/81/63/26/523816326.db2.gz WTINKVFOVILIAS-INIZCTEOSA-N 1 1 296.455 2.703 10 0 CFAEMO CO[C@H]1C[C@H](CO)[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000310830695 524019074 /nfs/dbraw/zinc/01/90/74/524019074.db2.gz IXUNDHPTXBZSQB-MNOVXSKESA-N 1 1 290.190 2.575 10 0 CFAEMO CO[C@H]1C[C@H](CO)[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000310830695 524019076 /nfs/dbraw/zinc/01/90/76/524019076.db2.gz IXUNDHPTXBZSQB-MNOVXSKESA-N 1 1 290.190 2.575 10 0 CFAEMO COc1ccc(C[NH2+]Cc2ccnc(C)n2)cc1Cl ZINC000086585633 524073665 /nfs/dbraw/zinc/07/36/65/524073665.db2.gz LVGVQVHCHIBGCR-UHFFFAOYSA-N 1 1 277.755 2.737 10 0 CFAEMO C[C@H](CC1CCCC1)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000246417663 524101446 /nfs/dbraw/zinc/10/14/46/524101446.db2.gz SNTBGKWBILWMNR-IJEWVQPXSA-N 1 1 278.440 2.898 10 0 CFAEMO C[C@H](CC1CCCC1)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246382978 524102597 /nfs/dbraw/zinc/10/25/97/524102597.db2.gz NWKQDNWPWKZXRR-HIFRSBDPSA-N 1 1 264.413 2.509 10 0 CFAEMO C[C@H](CCN(C)C)[NH2+][C@@H]1CSCc2ccccc21 ZINC000049554341 524167938 /nfs/dbraw/zinc/16/79/38/524167938.db2.gz WFYCBQDYASRLMZ-IUODEOHRSA-N 1 1 264.438 2.904 10 0 CFAEMO C[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2N)[C@@H]1C ZINC000050562910 524218683 /nfs/dbraw/zinc/21/86/83/524218683.db2.gz VCFZWWWZAADZJV-GHMZBOCLSA-N 1 1 295.814 2.981 10 0 CFAEMO C[C@H]1CCC[C@](CNCCOCC(F)(F)F)([NH+](C)C)C1 ZINC000049311069 524222322 /nfs/dbraw/zinc/22/23/22/524222322.db2.gz ZAXDZENMDMXWPY-STQMWFEESA-N 1 1 296.377 2.665 10 0 CFAEMO Cc1ccc(C[NH+]2CC(c3nc(-c4cccnc4)no3)C2)o1 ZINC000049483573 524435080 /nfs/dbraw/zinc/43/50/80/524435080.db2.gz IJSCJLZKXRYLHB-UHFFFAOYSA-N 1 1 296.330 2.632 10 0 CFAEMO Cc1cccc(NCC[S@@](=O)Cc2ccccc2)[nH+]1 ZINC000157502185 524676995 /nfs/dbraw/zinc/67/69/95/524676995.db2.gz MEPGJXZJCLNSQV-IBGZPJMESA-N 1 1 274.389 2.751 10 0 CFAEMO C[C@H]1COC[C@H](C)[NH+]1CCSc1ccccc1 ZINC000077366780 524737916 /nfs/dbraw/zinc/73/79/16/524737916.db2.gz UOQUURRBFZFRSY-STQMWFEESA-N 1 1 251.395 2.888 10 0 CFAEMO Cc1ccc(N)cc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC000050563013 524909544 /nfs/dbraw/zinc/90/95/44/524909544.db2.gz UQFZINSUEWDWSZ-YPMHNXCESA-N 1 1 275.396 2.636 10 0 CFAEMO C[C@H]1C[C@H](O)C[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000334824460 524935372 /nfs/dbraw/zinc/93/53/72/524935372.db2.gz BJMCLTBVUCBAIK-JSGCOSHPSA-N 1 1 272.348 2.544 10 0 CFAEMO C[C@@H]1C[N@@H+](CCCc2ccc3c(c2)CCO3)CCS1 ZINC000193245358 524951632 /nfs/dbraw/zinc/95/16/32/524951632.db2.gz WXSPADSREVSYCJ-CYBMUJFWSA-N 1 1 277.433 2.991 10 0 CFAEMO Cc1ccc(NC(=O)C[NH+]2CCC(c3cc[nH]n3)CC2)cc1 ZINC000195506907 525050140 /nfs/dbraw/zinc/05/01/40/525050140.db2.gz MTIZCPFZKDUOER-UHFFFAOYSA-N 1 1 298.390 2.536 10 0 CFAEMO C[C@@H]1COC[C@@H](C)[NH+]1CCOc1cccc(Cl)c1 ZINC000077657882 525144247 /nfs/dbraw/zinc/14/42/47/525144247.db2.gz OLOGVRLXSQGLBY-VXGBXAGGSA-N 1 1 269.772 2.828 10 0 CFAEMO Cc1ccc(NC(=O)c2c[nH+]c(NN)c(Cl)c2)cc1C ZINC000051093424 525251935 /nfs/dbraw/zinc/25/19/35/525251935.db2.gz ZLGVAJFTLDBUGN-UHFFFAOYSA-N 1 1 290.754 2.890 10 0 CFAEMO Cc1ccc(OCC(=O)Nc2cccc(Cl)c2)c(N)[nH+]1 ZINC000050440913 525396183 /nfs/dbraw/zinc/39/61/83/525396183.db2.gz KODHDFAYVAKFQZ-UHFFFAOYSA-N 1 1 291.738 2.643 10 0 CFAEMO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000229473526 525399718 /nfs/dbraw/zinc/39/97/18/525399718.db2.gz LYUDLRGAYUFDNY-KYHPRHEASA-N 1 1 291.435 2.931 10 0 CFAEMO C[C@H]([NH2+]Cc1nc2ccccc2[nH]1)c1cncc(F)c1 ZINC000227772789 525490432 /nfs/dbraw/zinc/49/04/32/525490432.db2.gz URNIKOQZUBEZDN-JTQLQIEISA-N 1 1 270.311 2.948 10 0 CFAEMO C[C@@H](N[C@@H](C)C[NH+]1CCCC1)c1ccc2c(c1)OCCO2 ZINC000049149504 525599106 /nfs/dbraw/zinc/59/91/06/525599106.db2.gz FVORUWNXUORJRC-UONOGXRCSA-N 1 1 290.407 2.593 10 0 CFAEMO C[C@@H]1[C@@H](C)CCC[N@H+]1CCOc1cccc(C(N)=S)c1 ZINC000050564899 525640481 /nfs/dbraw/zinc/64/04/81/525640481.db2.gz OOIVLCZJSQPMAM-QWHCGFSZSA-N 1 1 292.448 2.820 10 0 CFAEMO C[C@@H]1c2ccsc2CC[N@H+]1Cc1cccnc1N ZINC000052724161 525734822 /nfs/dbraw/zinc/73/48/22/525734822.db2.gz YAEJYVOOZGTTJZ-SNVBAGLBSA-N 1 1 259.378 2.845 10 0 CFAEMO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1cccnc1N ZINC000052724161 525734830 /nfs/dbraw/zinc/73/48/30/525734830.db2.gz YAEJYVOOZGTTJZ-SNVBAGLBSA-N 1 1 259.378 2.845 10 0 CFAEMO CSc1ccc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000195096592 525958604 /nfs/dbraw/zinc/95/86/04/525958604.db2.gz NEUHCSILDXSHIR-AWEZNQCLSA-N 1 1 290.432 2.719 10 0 CFAEMO CSc1ccc(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1 ZINC000195096592 525958614 /nfs/dbraw/zinc/95/86/14/525958614.db2.gz NEUHCSILDXSHIR-AWEZNQCLSA-N 1 1 290.432 2.719 10 0 CFAEMO Cc1cnc([C@@H](C)[NH2+]C[C@@H](O)CC2CCCC2)o1 ZINC000235210947 526123715 /nfs/dbraw/zinc/12/37/15/526123715.db2.gz VKDFVVXECOCZEI-YPMHNXCESA-N 1 1 252.358 2.575 10 0 CFAEMO Cc1ccc2c(c1)nc(N)n2[C@@H](C)C[NH+]1CCCC1 ZINC000049185007 526219606 /nfs/dbraw/zinc/21/96/06/526219606.db2.gz RDCRLSSGMDCDBE-LBPRGKRZSA-N 1 1 258.369 2.584 10 0 CFAEMO Cc1cnn([C@H]2CCC[N@@H+](C[C@H](O)CC3CCCC3)C2)c1 ZINC000191342629 526268185 /nfs/dbraw/zinc/26/81/85/526268185.db2.gz QSNPSRIPXKNVBY-DLBZAZTESA-N 1 1 291.439 2.770 10 0 CFAEMO Fc1cccc(Cl)c1CCN1CC[N@H+]2CCC[C@H]2C1 ZINC000245474775 526389574 /nfs/dbraw/zinc/38/95/74/526389574.db2.gz REUZFRPBGXZGKY-LBPRGKRZSA-N 1 1 282.790 2.802 10 0 CFAEMO Cc1csc([C@@H]2CCC[N@H+](CCC(=O)OC(C)C)C2)n1 ZINC000173602179 526419959 /nfs/dbraw/zinc/41/99/59/526419959.db2.gz VFWROTKPLGZYHX-CYBMUJFWSA-N 1 1 296.436 2.973 10 0 CFAEMO Cc1csc([C@H]2CCC[N@H+](CCC(=O)NC(C)C)C2)n1 ZINC000156964280 526443036 /nfs/dbraw/zinc/44/30/36/526443036.db2.gz LCVQOQQJJXSWFC-ZDUSSCGKSA-N 1 1 295.452 2.546 10 0 CFAEMO Cc1csc([C@H]2CCC[N@H+](Cc3cnn(C)c3)C2)n1 ZINC000156986725 526443352 /nfs/dbraw/zinc/44/33/52/526443352.db2.gz LQJWQWXMQOKNOE-ZDUSSCGKSA-N 1 1 276.409 2.565 10 0 CFAEMO Cc1csc([C@H]2C[N@H+](CCC(C)C)CCO2)n1 ZINC000195385768 526444346 /nfs/dbraw/zinc/44/43/46/526444346.db2.gz ZIGIAQGRLRFWAR-GFCCVEGCSA-N 1 1 254.399 2.871 10 0 CFAEMO Cc1csc([C@H]2C[N@@H+](CCC(C)C)CCO2)n1 ZINC000195385768 526444350 /nfs/dbraw/zinc/44/43/50/526444350.db2.gz ZIGIAQGRLRFWAR-GFCCVEGCSA-N 1 1 254.399 2.871 10 0 CFAEMO Cc1csc2nc(C)c(CN[C@H](C)C[NH+]3CCCC3)n12 ZINC000049150765 526452224 /nfs/dbraw/zinc/45/22/24/526452224.db2.gz SDULHZLUIUTEGC-LLVKDONJSA-N 1 1 292.452 2.587 10 0 CFAEMO c1ccc(CC[N@H+]2CCNC[C@@H]2Cc2ccccc2)cc1 ZINC000062671233 526464382 /nfs/dbraw/zinc/46/43/82/526464382.db2.gz VNKLBHAHPWMVML-IBGZPJMESA-N 1 1 280.415 2.746 10 0 CFAEMO c1ccc(CCN2CC[NH2+]C[C@@H]2Cc2ccccc2)cc1 ZINC000062671233 526464387 /nfs/dbraw/zinc/46/43/87/526464387.db2.gz VNKLBHAHPWMVML-IBGZPJMESA-N 1 1 280.415 2.746 10 0 CFAEMO c1coc([C@@H]2CCC[N@@H+]2CCO[C@@H]2CCCCO2)c1 ZINC000193055390 526569434 /nfs/dbraw/zinc/56/94/34/526569434.db2.gz QZTTWOKFEPOKBW-DZGCQCFKSA-N 1 1 265.353 2.960 10 0 CFAEMO O=C(C[N@@H+]1CCC[C@H]1CCCO)Nc1cccc(Cl)c1 ZINC000052762342 526758749 /nfs/dbraw/zinc/75/87/49/526758749.db2.gz BCCQJEVEFXZLHO-AWEZNQCLSA-N 1 1 296.798 2.515 10 0 CFAEMO O=C(c1cccc2ncccc21)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000195071313 526788403 /nfs/dbraw/zinc/78/84/03/526788403.db2.gz YLAYRUHEAHMDQU-AWEZNQCLSA-N 1 1 295.386 2.545 10 0 CFAEMO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)no1 ZINC000195518373 526920224 /nfs/dbraw/zinc/92/02/24/526920224.db2.gz VSCIHRYQQXGQHU-ZDUSSCGKSA-N 1 1 289.354 2.972 10 0 CFAEMO Clc1cc([C@H]2[NH2+]CCS2)cc2c1OCCCO2 ZINC000050522872 526931673 /nfs/dbraw/zinc/93/16/73/526931673.db2.gz VOYGPMNSVOUWMO-LBPRGKRZSA-N 1 1 271.769 2.836 10 0 CFAEMO Cn1c(C[N@H+]2CCC[C@@H]2Cc2ccccc2)nnc1C1CC1 ZINC000195052416 527054794 /nfs/dbraw/zinc/05/47/94/527054794.db2.gz DHBPPFGTPPWHIN-MRXNPFEDSA-N 1 1 296.418 2.900 10 0 CFAEMO Cc1nc[nH]c1C[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000054794730 527213702 /nfs/dbraw/zinc/21/37/02/527213702.db2.gz GPEBIXSOPAKKNZ-QMMMGPOBSA-N 1 1 251.280 2.847 10 0 CFAEMO NC[C@]1([NH+]2CCCCC2)CCC[C@@H](C(F)(F)F)C1 ZINC000069383204 527242927 /nfs/dbraw/zinc/24/29/27/527242927.db2.gz MWSDPXRVXKJOOJ-NEPJUHHUSA-N 1 1 264.335 2.922 10 0 CFAEMO O=C(Cc1cccc(F)c1)N1CC[NH2+]Cc2ccccc21 ZINC000062818436 527263728 /nfs/dbraw/zinc/26/37/28/527263728.db2.gz OQJZPMOAAMIELZ-UHFFFAOYSA-N 1 1 284.334 2.505 10 0 CFAEMO NNc1[nH+]cc(C(=O)Nc2cccc(F)c2F)cc1Cl ZINC000051094189 527287194 /nfs/dbraw/zinc/28/71/94/527287194.db2.gz RAKYQLFLDDSONQ-UHFFFAOYSA-N 1 1 298.680 2.551 10 0 CFAEMO Cc1nccc(N(C)CC[C@@H]([NH3+])C(C)C)c1Cl ZINC000310565467 527344417 /nfs/dbraw/zinc/34/44/17/527344417.db2.gz XJHZMEYZZMHUDX-LLVKDONJSA-N 1 1 255.793 2.853 10 0 CFAEMO Cc1[nH+]ccn1CCOc1cccc2c1NCCC2 ZINC000049330808 527434480 /nfs/dbraw/zinc/43/44/80/527434480.db2.gz DKXRGUQYXRSPBQ-UHFFFAOYSA-N 1 1 257.337 2.629 10 0 CFAEMO Nc1cc(Cl)ccc1N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000049564295 527452563 /nfs/dbraw/zinc/45/25/63/527452563.db2.gz YALRIIWLGZSTMQ-ZIAGYGMSSA-N 1 1 265.788 2.961 10 0 CFAEMO OCCC[C@H]1CCC[N@H+]1Cc1csc(C2CC2)n1 ZINC000305622110 527546562 /nfs/dbraw/zinc/54/65/62/527546562.db2.gz IKNAGENVNDJMKX-CYBMUJFWSA-N 1 1 266.410 2.757 10 0 CFAEMO OCC[C@@H]1CC[N@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000227566846 527565575 /nfs/dbraw/zinc/56/55/75/527565575.db2.gz BMTCFDFVAMHYOH-NSHDSACASA-N 1 1 278.377 2.607 10 0 CFAEMO OCC[C@@H]1CC[N@@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000227566846 527565581 /nfs/dbraw/zinc/56/55/81/527565581.db2.gz BMTCFDFVAMHYOH-NSHDSACASA-N 1 1 278.377 2.607 10 0 CFAEMO OCC[C@@H]1CC[N@@H+](CCSc2ccccc2F)C1 ZINC000227568509 527565762 /nfs/dbraw/zinc/56/57/62/527565762.db2.gz ZVXYMYMQJCPSFY-LBPRGKRZSA-N 1 1 269.385 2.622 10 0 CFAEMO OCC[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000227568747 527571455 /nfs/dbraw/zinc/57/14/55/527571455.db2.gz CZBVRLQFFGWVAO-GFCCVEGCSA-N 1 1 273.298 2.910 10 0 CFAEMO FC(F)(F)CCCCN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000228085158 527663659 /nfs/dbraw/zinc/66/36/59/527663659.db2.gz BPVJXOKZPCSVHX-GFCCVEGCSA-N 1 1 264.335 2.889 10 0 CFAEMO FC(F)(F)CCCC[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000228085158 527663660 /nfs/dbraw/zinc/66/36/60/527663660.db2.gz BPVJXOKZPCSVHX-GFCCVEGCSA-N 1 1 264.335 2.889 10 0 CFAEMO FC(F)(F)CCCC[N@H+]1CCN2CCCC[C@@H]2C1 ZINC000228085158 527663662 /nfs/dbraw/zinc/66/36/62/527663662.db2.gz BPVJXOKZPCSVHX-GFCCVEGCSA-N 1 1 264.335 2.889 10 0 CFAEMO CC(C)CC1(CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000176628927 527692104 /nfs/dbraw/zinc/69/21/04/527692104.db2.gz CLNRJVDBQDMQKA-OAHLLOKOSA-N 1 1 293.455 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291.391 2.847 10 0 CFAEMO COc1cccc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)c1OC ZINC000091979066 180297008 /nfs/dbraw/zinc/29/70/08/180297008.db2.gz DNFSDHBZYBXHLV-LSDHHAIUSA-N 1 1 291.391 2.847 10 0 CFAEMO Clc1ccccc1C[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105883018 186082851 /nfs/dbraw/zinc/08/28/51/186082851.db2.gz NCNHHQFFBPSMEV-ZDUSSCGKSA-N 1 1 290.798 2.844 10 0 CFAEMO Clc1ccc(C[NH+]2CCC(Cn3cccn3)CC2)cn1 ZINC000105886789 186084154 /nfs/dbraw/zinc/08/41/54/186084154.db2.gz YTPWLYCEQUJCBY-UHFFFAOYSA-N 1 1 290.798 2.844 10 0 CFAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@H](C)CC)C1 ZINC000105852144 186078255 /nfs/dbraw/zinc/07/82/55/186078255.db2.gz KEYCYUFJDZVXBF-OLZOCXBDSA-N 1 1 263.385 2.655 10 0 CFAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)CC(C)C)C1 ZINC000105851307 186078415 /nfs/dbraw/zinc/07/84/15/186078415.db2.gz BNSUVPKRJFPMFD-CYBMUJFWSA-N 1 1 263.385 2.655 10 0 CFAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000105851304 186078643 /nfs/dbraw/zinc/07/86/43/186078643.db2.gz 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ZWQMOQDGPYLQRS-GJZGRUSLSA-N 1 1 281.444 2.691 10 0 CFAEMO CC(C)(CC[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1)C1CC1 ZINC000406076967 413223764 /nfs/dbraw/zinc/22/37/64/413223764.db2.gz RKBZFFIGOLFPFD-GZBFAFLISA-N 1 1 251.414 2.906 10 0 CFAEMO Cc1ncc(C[NH2+][C@H](C)c2cc(F)ccc2F)n1C ZINC000657300822 413419879 /nfs/dbraw/zinc/41/98/79/413419879.db2.gz NMEYXPCRTOAMBP-SECBINFHSA-N 1 1 265.307 2.858 10 0 CFAEMO Cc1nccc(C[NH2+]Cc2ccccc2OC(F)(F)F)n1 ZINC000037997854 161501493 /nfs/dbraw/zinc/50/14/93/161501493.db2.gz LGTUYUVYKUBBJQ-UHFFFAOYSA-N 1 1 297.280 2.973 10 0 CFAEMO CC[N@@H+]1CCC[C@@H](NCc2ccc(F)c(F)c2F)C1 ZINC000657326804 413451369 /nfs/dbraw/zinc/45/13/69/413451369.db2.gz XNMGDUPSXZCKLB-LLVKDONJSA-N 1 1 272.314 2.678 10 0 CFAEMO CC[N@H+]1CCC[C@@H](NCc2ccc(F)c(F)c2F)C1 ZINC000657326804 413451382 /nfs/dbraw/zinc/45/13/82/413451382.db2.gz XNMGDUPSXZCKLB-LLVKDONJSA-N 1 1 272.314 2.678 10 0 CFAEMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1Cc1ccncc1Cl ZINC000350166928 163064631 /nfs/dbraw/zinc/06/46/31/163064631.db2.gz VJCUCYUXYWGAPG-OCCSQVGLSA-N 1 1 279.815 2.794 10 0 CFAEMO CCOC(=O)[C@H](c1ccccc1)[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000350725102 163101845 /nfs/dbraw/zinc/10/18/45/163101845.db2.gz SKGHBEOJOFGTOW-ZNMIVQPWSA-N 1 1 259.349 2.775 10 0 CFAEMO CCOC(=O)[C@H](c1ccccc1)[N@H+]1C[C@@H]2CCC[C@H]21 ZINC000350725102 163101846 /nfs/dbraw/zinc/10/18/46/163101846.db2.gz SKGHBEOJOFGTOW-ZNMIVQPWSA-N 1 1 259.349 2.775 10 0 CFAEMO C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCC[C@H]1O ZINC000352690865 163223367 /nfs/dbraw/zinc/22/33/67/163223367.db2.gz FVYTZTSRUSWZPD-QWHCGFSZSA-N 1 1 289.297 2.930 10 0 CFAEMO CCOc1ccccc1[C@@H](C)[NH2+]Cc1[nH]ncc1C ZINC000352834375 163248297 /nfs/dbraw/zinc/24/82/97/163248297.db2.gz LROVHJZNFIPKMS-GFCCVEGCSA-N 1 1 259.353 2.968 10 0 CFAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H](C)CC(C)C ZINC000248401130 287228074 /nfs/dbraw/zinc/22/80/74/287228074.db2.gz YUZOQGONQPGESQ-KFWWJZLASA-N 1 1 266.429 2.754 10 0 CFAEMO CC(=O)OC[C@@]1(c2ccccc2)CCC[N@H+](C)CC1 ZINC000005698962 170130341 /nfs/dbraw/zinc/13/03/41/170130341.db2.gz QNYZLZMTOJYVNN-MRXNPFEDSA-N 1 1 261.365 2.603 10 0 CFAEMO C[N@H+]1CC[C@H]2CCC[C@@H](NC(=O)c3ccccc3)[C@H]2C1 ZINC000005699807 170130410 /nfs/dbraw/zinc/13/04/10/170130410.db2.gz IJCPGHZBVADIGP-VNQPRFMTSA-N 1 1 272.392 2.537 10 0 CFAEMO C[C@@H]1CCC[N@H+](CNC(=O)C2C3CC4CC(C3)CC2C4)C1 ZINC000016609119 170705346 /nfs/dbraw/zinc/70/53/46/170705346.db2.gz VNFLETXJZJULPF-XXXXFFMBSA-N 1 1 290.451 2.864 10 0 CFAEMO C[C@@H]1CCC[N@@H+](CNC(=O)C2C3CC4CC(C3)CC2C4)C1 ZINC000016609119 170705348 /nfs/dbraw/zinc/70/53/48/170705348.db2.gz VNFLETXJZJULPF-XXXXFFMBSA-N 1 1 290.451 2.864 10 0 CFAEMO CCC[C@H](C)NC(=O)[C@@H](C)NCCC[N@H+]1CCCC[C@@H]1C ZINC000020367489 171165731 /nfs/dbraw/zinc/16/57/31/171165731.db2.gz IYWRQGYGZUPIFY-HRCADAONSA-N 1 1 297.487 2.534 10 0 CFAEMO CC[N@H+]1CCC[C@@H]1CNc1ccc(N)cc1Cl ZINC000020384093 171174991 /nfs/dbraw/zinc/17/49/91/171174991.db2.gz AOOCHWBSJZGKFH-LLVKDONJSA-N 1 1 253.777 2.818 10 0 CFAEMO CC(C)C1N=NC(=S)N1CCC[N@H+]1CCCC[C@H]1C ZINC000020589295 171260587 /nfs/dbraw/zinc/26/05/87/171260587.db2.gz WFXSSCQMMUGKMR-GFCCVEGCSA-N 1 1 282.457 2.955 10 0 CFAEMO Cc1ccc(N)cc1NC(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000022154379 171361117 /nfs/dbraw/zinc/36/11/17/171361117.db2.gz FVHNGPNBHKZTAS-CYBMUJFWSA-N 1 1 275.396 2.780 10 0 CFAEMO C[C@@H](C(=O)Nc1ccc(N)cc1Cl)[N@@H+]1CCC[C@@H](C)C1 ZINC000022154214 171361342 /nfs/dbraw/zinc/36/13/42/171361342.db2.gz PEXKEQNYGVDMEA-MNOVXSKESA-N 1 1 295.814 2.981 10 0 CFAEMO C[C@@H](C(=O)Nc1ccc(N)cc1Cl)[N@H+]1CCC[C@@H](C)C1 ZINC000022154214 171361343 /nfs/dbraw/zinc/36/13/43/171361343.db2.gz PEXKEQNYGVDMEA-MNOVXSKESA-N 1 1 295.814 2.981 10 0 CFAEMO Cc1cc(N)ccc1NC(=O)CC[N@@H+]1CCC[C@@H](C)C1 ZINC000022155236 171361735 /nfs/dbraw/zinc/36/17/35/171361735.db2.gz XCUDLGWECNGOLX-GFCCVEGCSA-N 1 1 275.396 2.638 10 0 CFAEMO C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(N)cc2Cl)C1 ZINC000022155883 171362522 /nfs/dbraw/zinc/36/25/22/171362522.db2.gz HXYZNRUVMTYYRW-NSHDSACASA-N 1 1 295.814 2.983 10 0 CFAEMO Cc1[nH+]ccn1CCCC(=O)Nc1ccc(N)cc1Cl ZINC000022173299 171369209 /nfs/dbraw/zinc/36/92/09/171369209.db2.gz PAFAIMHREHQFMB-UHFFFAOYSA-N 1 1 292.770 2.846 10 0 CFAEMO COc1ccc([C@@H]2C[C@@H](O)C[C@H]3CCCC[N@H+]32)cc1OC ZINC000034573700 171844626 /nfs/dbraw/zinc/84/46/26/171844626.db2.gz YEFMCXAZLNBVEN-ILXRZTDVSA-N 1 1 291.391 2.754 10 0 CFAEMO COC(=O)[C@@H]([NH2+][C@H](C)CCc1ccccc1)C(C)C ZINC000035346523 172138347 /nfs/dbraw/zinc/13/83/47/172138347.db2.gz GKZVXNCPERVESB-HIFRSBDPSA-N 1 1 263.381 2.795 10 0 CFAEMO C[NH2+][C@@H](c1cccnc1)c1c(F)cc(F)cc1F ZINC000035469460 172219379 /nfs/dbraw/zinc/21/93/79/172219379.db2.gz HDBGQKTZBNEKQT-ZDUSSCGKSA-N 1 1 252.239 2.808 10 0 CFAEMO C[C@H](O)C[N@@H+](Cc1ccc2ccccc2n1)C1CC1 ZINC000653898844 413579502 /nfs/dbraw/zinc/57/95/02/413579502.db2.gz RCBJCIAWDFOTON-LBPRGKRZSA-N 1 1 256.349 2.580 10 0 CFAEMO C[N@H+](Cc1ccco1)Cc1cccc(C(N)=S)c1 ZINC000035702007 172369335 /nfs/dbraw/zinc/36/93/35/172369335.db2.gz MYBIOMPEXGIZCH-UHFFFAOYSA-N 1 1 260.362 2.546 10 0 CFAEMO C[N@@H+](Cc1ccco1)Cc1cccc(C(N)=S)c1 ZINC000035702007 172369337 /nfs/dbraw/zinc/36/93/37/172369337.db2.gz MYBIOMPEXGIZCH-UHFFFAOYSA-N 1 1 260.362 2.546 10 0 CFAEMO CN(Cc1ccsc1)C[C@H](C[NH3+])c1ccccc1 ZINC000035731475 172381346 /nfs/dbraw/zinc/38/13/46/172381346.db2.gz FERTVSHUIMCVQF-HNNXBMFYSA-N 1 1 260.406 2.922 10 0 CFAEMO CN1C[C@H](CNc2cc[nH+]c3cc(Cl)ccc23)CC1=O ZINC000664460595 413784421 /nfs/dbraw/zinc/78/44/21/413784421.db2.gz KKBSKTZYHYNBBD-JTQLQIEISA-N 1 1 289.766 2.778 10 0 CFAEMO CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1N ZINC000037097808 172952468 /nfs/dbraw/zinc/95/24/68/172952468.db2.gz UALWQFIUFZHRNX-SECBINFHSA-N 1 1 269.776 2.591 10 0 CFAEMO COc1ccccc1CN[C@@H](CC(C)C)C[NH+](C)C ZINC000037166698 173001836 /nfs/dbraw/zinc/00/18/36/173001836.db2.gz BXOLWKZYUGDMRT-HNNXBMFYSA-N 1 1 264.413 2.761 10 0 CFAEMO C[NH+](C)CCN[C@H]1CCOc2c(Cl)cc(Cl)cc21 ZINC000037184139 173016605 /nfs/dbraw/zinc/01/66/05/173016605.db2.gz XJERKWDSTWOSCM-LBPRGKRZSA-N 1 1 289.206 2.968 10 0 CFAEMO NC(=O)C[NH2+][C@H](c1cccs1)c1ccc(Cl)s1 ZINC000037183950 173016697 /nfs/dbraw/zinc/01/66/97/173016697.db2.gz VOARQWMZBWOUPZ-LLVKDONJSA-N 1 1 286.809 2.627 10 0 CFAEMO C[C@@H]([NH2+]CCc1ccc(F)cc1)[C@@H]1CCCN(C)C1 ZINC000037209100 173030765 /nfs/dbraw/zinc/03/07/65/173030765.db2.gz ADESZHYKLIJJDG-UKRRQHHQSA-N 1 1 264.388 2.688 10 0 CFAEMO CC[N@@H+]1CCC[C@@H]([C@@H](C)NCc2cccs2)C1 ZINC000037221152 173040161 /nfs/dbraw/zinc/04/01/61/173040161.db2.gz CFTDONRFUZADAJ-CHWSQXEVSA-N 1 1 252.427 2.958 10 0 CFAEMO CC[N@H+]1CCC[C@@H]([C@@H](C)NCc2cccs2)C1 ZINC000037221152 173040163 /nfs/dbraw/zinc/04/01/63/173040163.db2.gz CFTDONRFUZADAJ-CHWSQXEVSA-N 1 1 252.427 2.958 10 0 CFAEMO OCC[NH2+][C@H](c1ccco1)c1ccc(Cl)s1 ZINC000037250611 173062884 /nfs/dbraw/zinc/06/28/84/173062884.db2.gz CIODUCYFZLFUCG-LLVKDONJSA-N 1 1 257.742 2.666 10 0 CFAEMO CC[C@@H](C)[N@@H+](C)CC(=O)Nc1cc(N)ccc1Cl ZINC000037273413 173085324 /nfs/dbraw/zinc/08/53/24/173085324.db2.gz WUVKTCSMGALYJZ-SECBINFHSA-N 1 1 269.776 2.591 10 0 CFAEMO Cc1ccc2nc([C@@H]([NH3+])Cc3ccc(O)cc3)[nH]c2c1 ZINC000037288980 173093919 /nfs/dbraw/zinc/09/39/19/173093919.db2.gz ULTXNUQQFLEMEL-ZDUSSCGKSA-N 1 1 267.332 2.819 10 0 CFAEMO C[C@@H]1CCCC[N@H+]1CCCNCc1nccn1C(F)F ZINC000037302544 173108163 /nfs/dbraw/zinc/10/81/63/173108163.db2.gz YQYVCMXCXNMGFX-GFCCVEGCSA-N 1 1 286.370 2.632 10 0 CFAEMO C[N@H+](CC(=O)c1cc(F)ccc1O)C1CCCC1 ZINC000037334733 173135146 /nfs/dbraw/zinc/13/51/46/173135146.db2.gz PFOZQABXTYXGJC-UHFFFAOYSA-N 1 1 251.301 2.588 10 0 CFAEMO C[N@@H+](CC(=O)c1cc(F)ccc1O)C1CCCC1 ZINC000037334733 173135149 /nfs/dbraw/zinc/13/51/49/173135149.db2.gz PFOZQABXTYXGJC-UHFFFAOYSA-N 1 1 251.301 2.588 10 0 CFAEMO CC(C)[NH2+][C@](C)(C(N)=O)c1ccc(Cl)cc1Cl ZINC000037446453 173213305 /nfs/dbraw/zinc/21/33/05/173213305.db2.gz IRASQAPJVFDTFI-LBPRGKRZSA-N 1 1 275.179 2.692 10 0 CFAEMO CC(C)C[C@@H]([NH2+]Cc1ccc(Cl)o1)C(=O)N(C)C ZINC000037507820 173241922 /nfs/dbraw/zinc/24/19/22/173241922.db2.gz KULVKGAKDBWNMJ-LLVKDONJSA-N 1 1 272.776 2.526 10 0 CFAEMO CCN(Cc1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC000037538707 173258764 /nfs/dbraw/zinc/25/87/64/173258764.db2.gz GEZLSZNLQOCEJI-UHFFFAOYSA-N 1 1 252.789 2.914 10 0 CFAEMO CCCN1CCC([N@@H+]2CCc3c(N)cccc3C2)CC1 ZINC000038032597 174028813 /nfs/dbraw/zinc/02/88/13/174028813.db2.gz BONCDLWRYZWJAA-UHFFFAOYSA-N 1 1 273.424 2.501 10 0 CFAEMO CCCN1CCC([N@H+]2CCc3c(N)cccc3C2)CC1 ZINC000038032597 174028816 /nfs/dbraw/zinc/02/88/16/174028816.db2.gz BONCDLWRYZWJAA-UHFFFAOYSA-N 1 1 273.424 2.501 10 0 CFAEMO CC[N@H+]1CCC[C@@H]([C@@H](C)NCc2nc(C)cs2)C1 ZINC000038090932 174105032 /nfs/dbraw/zinc/10/50/32/174105032.db2.gz OGTVYQWLHIMGCL-CHWSQXEVSA-N 1 1 267.442 2.662 10 0 CFAEMO C[N@@H+](Cc1ccccc1)C[C@H](N)c1ccc2c(c1)OCO2 ZINC000038137780 174133965 /nfs/dbraw/zinc/13/39/65/174133965.db2.gz SRUICLOLPQHETR-HNNXBMFYSA-N 1 1 284.359 2.547 10 0 CFAEMO C[N@H+](Cc1ccccc1)C[C@H](N)c1ccc2c(c1)OCO2 ZINC000038137780 174133967 /nfs/dbraw/zinc/13/39/67/174133967.db2.gz SRUICLOLPQHETR-HNNXBMFYSA-N 1 1 284.359 2.547 10 0 CFAEMO CCOc1ccccc1[C@@H](CN)[NH+]1CCCCCC1 ZINC000038860886 174157777 /nfs/dbraw/zinc/15/77/77/174157777.db2.gz KXPYNNJXVQJDNU-OAHLLOKOSA-N 1 1 262.397 2.961 10 0 CFAEMO OC[C@H]1CCCC[N@H+]1Cc1ccc2ccccc2n1 ZINC000039225911 174167024 /nfs/dbraw/zinc/16/70/24/174167024.db2.gz GWBMWROSOMRQDM-OAHLLOKOSA-N 1 1 256.349 2.582 10 0 CFAEMO CCCOc1ccc([C@@H](CN)[NH+](CC)CC)cc1 ZINC000039789129 174173106 /nfs/dbraw/zinc/17/31/06/174173106.db2.gz HJOWGNJMVVVHIY-OAHLLOKOSA-N 1 1 250.386 2.817 10 0 CFAEMO C[N@H+]1CCC[C@H]1CCOc1ccc(Br)cc1N ZINC000040240443 174212645 /nfs/dbraw/zinc/21/26/45/174212645.db2.gz WGNCXBVBYZJULF-NSHDSACASA-N 1 1 299.212 2.894 10 0 CFAEMO CC(=O)c1cc(F)ccc1OCC[C@H]1CCC[N@@H+]1C ZINC000040240619 174213319 /nfs/dbraw/zinc/21/33/19/174213319.db2.gz RTHKQYZBPWXQRI-CYBMUJFWSA-N 1 1 265.328 2.891 10 0 CFAEMO COc1ccc([C@@H](C)[NH2+][C@H](C)c2cc[nH]n2)cc1OC ZINC000040491024 174292441 /nfs/dbraw/zinc/29/24/41/174292441.db2.gz HPHGFMOPWDTUEO-GHMZBOCLSA-N 1 1 275.352 2.839 10 0 CFAEMO CC[N@@H+]1CCC[C@H](NCc2ccc(F)cc2F)C1 ZINC000040502017 174298452 /nfs/dbraw/zinc/29/84/52/174298452.db2.gz NCYBXNQILWWSCS-ZDUSSCGKSA-N 1 1 254.324 2.539 10 0 CFAEMO CC[N@H+]1CCC[C@H](NCc2ccc(F)cc2F)C1 ZINC000040502017 174298453 /nfs/dbraw/zinc/29/84/53/174298453.db2.gz NCYBXNQILWWSCS-ZDUSSCGKSA-N 1 1 254.324 2.539 10 0 CFAEMO Cc1nc(C)c([C@H](C)[NH2+]Cc2ncc(Cl)n2C)s1 ZINC000040518765 174308710 /nfs/dbraw/zinc/30/87/10/174308710.db2.gz ILAUEZCMUSGYQY-ZETCQYMHSA-N 1 1 284.816 2.998 10 0 CFAEMO C[NH2+]C[C@H]1CCCN([C@@H](C)c2ccc(OC)cc2)C1 ZINC000040592786 174347967 /nfs/dbraw/zinc/34/79/67/174347967.db2.gz BLFJWXQFIOIDRE-UONOGXRCSA-N 1 1 262.397 2.688 10 0 CFAEMO CC(C)[N@H+]1CC[C@H](CNc2cc3ccccc3c(=O)[nH]2)C1 ZINC000040623738 174355437 /nfs/dbraw/zinc/35/54/37/174355437.db2.gz RVHBRCCPMQXPHD-CYBMUJFWSA-N 1 1 285.391 2.670 10 0 CFAEMO CC[NH+]1CCC(NCc2cc3c(s2)CCC3)CC1 ZINC000040625193 174356528 /nfs/dbraw/zinc/35/65/28/174356528.db2.gz CQBNMDWETIJCRS-UHFFFAOYSA-N 1 1 264.438 2.811 10 0 CFAEMO CC(C)Oc1cccc([C@@H](CN)[N@H+](C)C2CCOCC2)c1 ZINC000040641274 174364621 /nfs/dbraw/zinc/36/46/21/174364621.db2.gz HELIMOVUZNTRTJ-QGZVFWFLSA-N 1 1 292.423 2.584 10 0 CFAEMO CC(C)Oc1cccc([C@@H](CN)[N@@H+](C)C2CCOCC2)c1 ZINC000040641274 174364623 /nfs/dbraw/zinc/36/46/23/174364623.db2.gz HELIMOVUZNTRTJ-QGZVFWFLSA-N 1 1 292.423 2.584 10 0 CFAEMO CCOC1CCN([C@]2(C[NH3+])CCCc3ccccc32)CC1 ZINC000040678745 174374529 /nfs/dbraw/zinc/37/45/29/174374529.db2.gz GSOOFLAAWKKSIC-SFHVURJKSA-N 1 1 288.435 2.678 10 0 CFAEMO CCOC1CC[NH+]([C@H](CN)[C@H](C)c2ccccc2)CC1 ZINC000040678621 174374834 /nfs/dbraw/zinc/37/48/34/174374834.db2.gz AENVVNDRRCJLLI-RHSMWYFYSA-N 1 1 276.424 2.618 10 0 CFAEMO CCOC1CC[NH+]([C@H](CN)c2ccc(CC)cc2)CC1 ZINC000040689125 174375903 /nfs/dbraw/zinc/37/59/03/174375903.db2.gz VFPQMYXGCFRNBY-QGZVFWFLSA-N 1 1 276.424 2.750 10 0 CFAEMO 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CN[C@@H](c1ccc(C)cc1)[C@@H](C)[N@@H+](C)C1CCOCC1 ZINC000043898218 175121499 /nfs/dbraw/zinc/12/14/99/175121499.db2.gz MQFOMJIBEKNOPR-RHSMWYFYSA-N 1 1 276.424 2.755 10 0 CFAEMO CN[C@H]1CCC2(C[C@@H]1[N@H+](C)C1CCCCCC1)OCCO2 ZINC000043899597 175122139 /nfs/dbraw/zinc/12/21/39/175122139.db2.gz BGLYWHBTLSIRBG-HOTGVXAUSA-N 1 1 296.455 2.525 10 0 CFAEMO CN[C@H]1CCC2(C[C@@H]1[N@@H+](C)C1CCCCCC1)OCCO2 ZINC000043899597 175122141 /nfs/dbraw/zinc/12/21/41/175122141.db2.gz BGLYWHBTLSIRBG-HOTGVXAUSA-N 1 1 296.455 2.525 10 0 CFAEMO CCOc1ccc([C@H](C[N@H+](C)CC2CC2)NC)cc1 ZINC000043905321 175122357 /nfs/dbraw/zinc/12/23/57/175122357.db2.gz HCNHNGMDZHYMGR-INIZCTEOSA-N 1 1 262.397 2.688 10 0 CFAEMO CCOc1ccc([C@H](C[N@@H+](C)CC2CC2)NC)cc1 ZINC000043905321 175122359 /nfs/dbraw/zinc/12/23/59/175122359.db2.gz HCNHNGMDZHYMGR-INIZCTEOSA-N 1 1 262.397 2.688 10 0 CFAEMO CCOc1ccc([C@H](C[N@@H+]2CCC[C@@H]2C)NC)cc1 ZINC000043902586 175122927 /nfs/dbraw/zinc/12/29/27/175122927.db2.gz VMCTYARBXPZIMS-BBRMVZONSA-N 1 1 262.397 2.830 10 0 CFAEMO CCOc1ccc([C@H](C[N@H+]2CCC[C@@H]2C)NC)cc1 ZINC000043902586 175122928 /nfs/dbraw/zinc/12/29/28/175122928.db2.gz VMCTYARBXPZIMS-BBRMVZONSA-N 1 1 262.397 2.830 10 0 CFAEMO CCN[C@H]1c2ccccc2OC[C@H]1[N@@H+]1CCC[C@@H]1C ZINC000043903385 175122958 /nfs/dbraw/zinc/12/29/58/175122958.db2.gz GSJGZXMWYVQUEI-BJJXKVORSA-N 1 1 260.381 2.583 10 0 CFAEMO CCN[C@H]1c2ccccc2OC[C@H]1[N@H+]1CCC[C@@H]1C ZINC000043903385 175122959 /nfs/dbraw/zinc/12/29/59/175122959.db2.gz GSJGZXMWYVQUEI-BJJXKVORSA-N 1 1 260.381 2.583 10 0 CFAEMO CN[C@H](C[N@H+](C)CCC(C)C)c1ccc2c(c1)OCO2 ZINC000043914515 175124638 /nfs/dbraw/zinc/12/46/38/175124638.db2.gz FNWKYKDEAIUELN-CQSZACIVSA-N 1 1 278.396 2.654 10 0 CFAEMO CN[C@H](C[N@@H+](C)CCC(C)C)c1ccc2c(c1)OCO2 ZINC000043914515 175124640 /nfs/dbraw/zinc/12/46/40/175124640.db2.gz FNWKYKDEAIUELN-CQSZACIVSA-N 1 1 278.396 2.654 10 0 CFAEMO CC[NH2+][C@@H](C)c1ccc(OCC)c(CN(C)CCOC)c1 ZINC000043916149 175125313 /nfs/dbraw/zinc/12/53/13/175125313.db2.gz NUPSREWFISADLT-AWEZNQCLSA-N 1 1 294.439 2.834 10 0 CFAEMO CCC[NH2+][C@@H]1CC[C@@H](CC)C[C@@H]1N1CCN(C2CC2)CC1 ZINC000043967788 175128834 /nfs/dbraw/zinc/12/88/34/175128834.db2.gz QMDQZWRFYYAGKM-NXHRZFHOSA-N 1 1 293.499 2.713 10 0 CFAEMO CCC[NH2+][C@@H](CCC)[C@H](CC)N1CCN(C2CC2)CC1 ZINC000043967801 175129038 /nfs/dbraw/zinc/12/90/38/175129038.db2.gz DNEGPZJZSNXPAW-IRXDYDNUSA-N 1 1 281.488 2.713 10 0 CFAEMO CC[NH2+][C@@H]1CCCC[C@H]1N(CCOC)CC(C)C ZINC000043970443 175131232 /nfs/dbraw/zinc/13/12/32/175131232.db2.gz PDHALOTXUARYMX-HUUCEWRRSA-N 1 1 256.434 2.512 10 0 CFAEMO CC[NH2+][C@@H]1CCCCC[C@H]1N(CCOC)CC(C)C ZINC000043970383 175131267 /nfs/dbraw/zinc/13/12/67/175131267.db2.gz XTJWGIHLKCTCJS-HZPDHXFCSA-N 1 1 270.461 2.902 10 0 CFAEMO CN[C@H]1c2ccccc2OC[C@H]1[N@H+](CC(C)C)C1CC1 ZINC000043972207 175132982 /nfs/dbraw/zinc/13/29/82/175132982.db2.gz KDHCESGWIKBWCZ-WBVHZDCISA-N 1 1 274.408 2.829 10 0 CFAEMO CN[C@H]1c2ccccc2OC[C@H]1[N@@H+](CC(C)C)C1CC1 ZINC000043972207 175132983 /nfs/dbraw/zinc/13/29/83/175132983.db2.gz KDHCESGWIKBWCZ-WBVHZDCISA-N 1 1 274.408 2.829 10 0 CFAEMO CC[NH2+][C@H]1CCCC[C@H]1N(CCOC)[C@@H](C)C1CC1 ZINC000043977730 175133518 /nfs/dbraw/zinc/13/35/18/175133518.db2.gz OYNYBYIIZVYJJK-CWRNSKLLSA-N 1 1 268.445 2.654 10 0 CFAEMO CCN1CC[NH+](C[C@@H](O)c2cccc3ccccc32)CC1 ZINC000044114472 175141873 /nfs/dbraw/zinc/14/18/73/175141873.db2.gz CJYZYWCZOVNPFH-GOSISDBHSA-N 1 1 284.403 2.511 10 0 CFAEMO CCOc1ccc([C@H](C)O)cc1C[N@@H+](C)C(C)C ZINC000044119465 175142190 /nfs/dbraw/zinc/14/21/90/175142190.db2.gz PFPMEFXIBGLQOO-LBPRGKRZSA-N 1 1 251.370 2.979 10 0 CFAEMO CCC[N@@H+](C)Cc1cc([C@@H](C)O)ccc1OCC ZINC000044127622 175144144 /nfs/dbraw/zinc/14/41/44/175144144.db2.gz ZMURTJZVUUMHTH-GFCCVEGCSA-N 1 1 251.370 2.980 10 0 CFAEMO CC[N@@H+](C1CCCC1)[C@@H]1COc2ccccc2[C@@H]1O ZINC000044131849 175144634 /nfs/dbraw/zinc/14/46/34/175144634.db2.gz UHCFNZWLIZFPEK-ZBFHGGJFSA-N 1 1 261.365 2.746 10 0 CFAEMO C[C@@H]([C@@H](O)c1ccccc1)[N@@H+](C)Cc1cccnc1 ZINC000044133828 175145493 /nfs/dbraw/zinc/14/54/93/175145493.db2.gz KKTUDVKSXGZBCW-XJKSGUPXSA-N 1 1 256.349 2.636 10 0 CFAEMO COc1ccc([C@@H](O)[C@H](C)[N@@H+](C)Cc2ccncc2)cc1 ZINC000044134192 175145510 /nfs/dbraw/zinc/14/55/10/175145510.db2.gz NQDNDTKFWZHSTN-GUYCJALGSA-N 1 1 286.375 2.644 10 0 CFAEMO C[N@@H+](Cc1ccncc1)[C@@H]1CCc2ccccc2[C@@H]1O ZINC000044134120 175145645 /nfs/dbraw/zinc/14/56/45/175145645.db2.gz JOMMWARTBBWOJK-SJORKVTESA-N 1 1 268.360 2.562 10 0 CFAEMO C[N@@H+](C1CCOCC1)[C@@H]1CCCc2ccccc2[C@@H]1O ZINC000044160246 175147249 /nfs/dbraw/zinc/14/72/49/175147249.db2.gz PPEFGIIRWZBJIM-SJORKVTESA-N 1 1 275.392 2.536 10 0 CFAEMO C[C@@H]([C@@H](O)c1ccccc1)[N@@H+](C)CCc1ccncc1 ZINC000044161007 175147319 /nfs/dbraw/zinc/14/73/19/175147319.db2.gz WOAXOROIRLSBGR-WMLDXEAASA-N 1 1 270.376 2.678 10 0 CFAEMO CC(C)[C@H]([C@H](O)c1ccccc1)[N@@H+](C)C[C@@H]1CCCO1 ZINC000044170925 175148762 /nfs/dbraw/zinc/14/87/62/175148762.db2.gz RMRWUQDMALNIJW-GVDBMIGSSA-N 1 1 277.408 2.855 10 0 CFAEMO COCC[N@@H+](C[C@H](O)c1cccc2ccccc21)C1CC1 ZINC000044171851 175149034 /nfs/dbraw/zinc/14/90/34/175149034.db2.gz KCMISIFRYWBPAX-SFHVURJKSA-N 1 1 285.387 2.984 10 0 CFAEMO CC[C@H]([C@H](O)c1ccccc1)[N@@H+](C)C1CCN(CC)CC1 ZINC000044172709 175149624 /nfs/dbraw/zinc/14/96/24/175149624.db2.gz GQIZVBAUVGQDJO-QZTJIDSGSA-N 1 1 290.451 2.915 10 0 CFAEMO C[C@@H]([C@H](O)c1ccccc1)[NH+]1CCN(C(C)(C)C)CC1 ZINC000044176067 175149721 /nfs/dbraw/zinc/14/97/21/175149721.db2.gz CKGVBFRRQUISOP-HOCLYGCPSA-N 1 1 276.424 2.525 10 0 CFAEMO CC[C@H]([C@@H](O)c1ccccc1)N1CC[NH+](C(C)(C)C)CC1 ZINC000044176207 175149956 /nfs/dbraw/zinc/14/99/56/175149956.db2.gz AQNOIJOUNKBRIA-SJORKVTESA-N 1 1 290.451 2.915 10 0 CFAEMO C[C@H]([C@@H](O)c1ccccc1)[NH+]1CCN(C(C)(C)C)CC1 ZINC000044176079 175150141 /nfs/dbraw/zinc/15/01/41/175150141.db2.gz CKGVBFRRQUISOP-GDBMZVCRSA-N 1 1 276.424 2.525 10 0 CFAEMO COc1cccc(C[N@@H+](C)[C@H]2CCCCC[C@@H]2O)c1 ZINC000044180156 175151569 /nfs/dbraw/zinc/15/15/69/175151569.db2.gz KVGKHOWEIVYAPT-HOTGVXAUSA-N 1 1 263.381 2.821 10 0 CFAEMO Cc1[nH+]ccn1C[C@H](O)c1ccc(OC(C)C)cc1 ZINC000044181011 175151657 /nfs/dbraw/zinc/15/16/57/175151657.db2.gz UTNHUQDHHWWVAT-HNNXBMFYSA-N 1 1 260.337 2.712 10 0 CFAEMO Cn1cc(-c2csc([C@@H]([NH3+])c3ccccc3)n2)cn1 ZINC000044495520 175182636 /nfs/dbraw/zinc/18/26/36/175182636.db2.gz PWTLMHXAMDMODV-ZDUSSCGKSA-N 1 1 270.361 2.592 10 0 CFAEMO C[N@H+]1CCCC[C@H]1CNc1c(N)cccc1Cl ZINC000044563750 175207192 /nfs/dbraw/zinc/20/71/92/175207192.db2.gz RTWAVIGHQYPWKL-JTQLQIEISA-N 1 1 253.777 2.818 10 0 CFAEMO CC(C)[N@@H+](C)CCCCNC(=O)c1ccccc1F ZINC000044584384 175210688 /nfs/dbraw/zinc/21/06/88/175210688.db2.gz XBEIPQPSNKJTDG-UHFFFAOYSA-N 1 1 266.360 2.676 10 0 CFAEMO Nc1ccc(N[C@@H]2CC[N@H+](C3CC3)C2)cc1C(F)(F)F ZINC000044689631 175232731 /nfs/dbraw/zinc/23/27/31/175232731.db2.gz DFSATGDEWMUQCP-SNVBAGLBSA-N 1 1 285.313 2.936 10 0 CFAEMO Oc1ccc2c(c1)CCC[C@H]2NCCC[NH+]1CCCC1 ZINC000044746869 175242497 /nfs/dbraw/zinc/24/24/97/175242497.db2.gz QUKJMSKPXBBWRB-QGZVFWFLSA-N 1 1 274.408 2.845 10 0 CFAEMO Cc1c(N)cccc1NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C ZINC000045064529 175299148 /nfs/dbraw/zinc/29/91/48/175299148.db2.gz GSUJRUGSWXUMOQ-GFCCVEGCSA-N 1 1 277.412 2.882 10 0 CFAEMO CC[N@H+](CC(N)=S)Cc1c(F)cccc1Cl ZINC000045063488 175299245 /nfs/dbraw/zinc/29/92/45/175299245.db2.gz MPANGZWEJXXMIK-UHFFFAOYSA-N 1 1 260.765 2.587 10 0 CFAEMO CC[N@@H+](CC(N)=S)Cc1c(F)cccc1Cl ZINC000045063488 175299246 /nfs/dbraw/zinc/29/92/46/175299246.db2.gz MPANGZWEJXXMIK-UHFFFAOYSA-N 1 1 260.765 2.587 10 0 CFAEMO C[C@@H](C(=O)Nc1ccccc1N)[N@@H+](C)CC(C)(C)C ZINC000045064894 175299675 /nfs/dbraw/zinc/29/96/75/175299675.db2.gz ZYUQUJFZVHDAAV-NSHDSACASA-N 1 1 263.385 2.574 10 0 CFAEMO C[N@H+](CC(C)(C)C)[C@H](CN)c1ccc(F)c(F)c1 ZINC000045070823 175301339 /nfs/dbraw/zinc/30/13/39/175301339.db2.gz OQCKKKWNWJLOTR-CYBMUJFWSA-N 1 1 256.340 2.943 10 0 CFAEMO C[N@@H+](CCOc1cccc(C(N)=S)c1)CC(C)(C)C ZINC000045073849 175302819 /nfs/dbraw/zinc/30/28/19/175302819.db2.gz NWORHIAADNGHMR-UHFFFAOYSA-N 1 1 280.437 2.678 10 0 CFAEMO Cc1cc(C)c(C(=O)[O-])c(NC[C@H]2CC[N@H+](C(C)C)C2)[nH+]1 ZINC000045137620 175314908 /nfs/dbraw/zinc/31/49/08/175314908.db2.gz MDHXTOGRBCLGLN-CYBMUJFWSA-N 1 1 291.395 2.539 10 0 CFAEMO CCn1nc(C)c([C@@H](C)[NH2+]C2CCN(CC)CC2)c1C ZINC000045172049 175321822 /nfs/dbraw/zinc/32/18/22/175321822.db2.gz VFUUPEOGHLIUEM-GFCCVEGCSA-N 1 1 278.444 2.655 10 0 CFAEMO CCN[C@@](C)(C[N@@H+](CC)C1CCCCC1)C(=O)OCC ZINC000045224051 175331973 /nfs/dbraw/zinc/33/19/73/175331973.db2.gz XSOLNRQFHQHSED-INIZCTEOSA-N 1 1 284.444 2.572 10 0 CFAEMO CC[N@@H+](CC[C@](C)(NC(C)C)C(=O)OC)C1CCCCC1 ZINC000045224164 175332378 /nfs/dbraw/zinc/33/23/78/175332378.db2.gz FRIBGWJYJAUPPD-KRWDZBQOSA-N 1 1 298.471 2.961 10 0 CFAEMO CCOC(=O)[C@@](C)(CC[N@@H+](C)C1CCCCC1)NC1CC1 ZINC000045231341 175334658 /nfs/dbraw/zinc/33/46/58/175334658.db2.gz ILBWWKVHOOZOSN-QGZVFWFLSA-N 1 1 296.455 2.715 10 0 CFAEMO CCCN[C@](C)(CC[N@@H+]1[C@H](C)CCC[C@@H]1C)C(=O)OC ZINC000045231945 175335753 /nfs/dbraw/zinc/33/57/53/175335753.db2.gz UECFCBJSJGAGAN-IJEWVQPXSA-N 1 1 284.444 2.571 10 0 CFAEMO COC(=O)[C@](C)(CC[N@@H+]1[C@H](C)CCC[C@@H]1C)NC(C)C ZINC000045231967 175335803 /nfs/dbraw/zinc/33/58/03/175335803.db2.gz CFWYSQHNPXFUTR-LZWOXQAQSA-N 1 1 284.444 2.569 10 0 CFAEMO CCOC(=O)[C@](C)(CC[N@@H+](CC)[C@@H](C)CC)NC(C)C ZINC000045266625 175338778 /nfs/dbraw/zinc/33/87/78/175338778.db2.gz QHBFKPLQUWGFHM-HOCLYGCPSA-N 1 1 286.460 2.817 10 0 CFAEMO CCOC(=O)[C@](C)(CC[N@@H+](C)C[C@@H](C)CC)NC(C)C ZINC000045268492 175340542 /nfs/dbraw/zinc/34/05/42/175340542.db2.gz CEKMAGWRSAHGFC-HOCLYGCPSA-N 1 1 286.460 2.674 10 0 CFAEMO CCN[C@](C)(C[N@@H+](C)C1CCCCCC1)C(=O)OCC ZINC000045271910 175342147 /nfs/dbraw/zinc/34/21/47/175342147.db2.gz HNNHWKBKIJYNJQ-MRXNPFEDSA-N 1 1 284.444 2.572 10 0 CFAEMO COC(=O)[C@](C)(CC[N@@H+](C)[C@@H](C)C(C)(C)C)NC(C)C ZINC000045274845 175345228 /nfs/dbraw/zinc/34/52/28/175345228.db2.gz RNILCMIXWZKHJS-BBRMVZONSA-N 1 1 286.460 2.673 10 0 CFAEMO CCCC[N@@H+](C[C@@](C)(NC(C)C)C(=O)OCC)C1CC1 ZINC000045276272 175346318 /nfs/dbraw/zinc/34/63/18/175346318.db2.gz SYXGHHHXIDCMKZ-MRXNPFEDSA-N 1 1 284.444 2.571 10 0 CFAEMO CCOC(=O)[C@@](C)(C[N@@H+](C)C1CCC(C)CC1)NC(C)C ZINC000045280554 175349876 /nfs/dbraw/zinc/34/98/76/175349876.db2.gz BINZLKARYHQSGH-VMBOVVBDSA-N 1 1 298.471 2.817 10 0 CFAEMO CCOC(=O)[C@](C)(CC[N@@H+](C)[C@@H](C)CC(C)C)NC1CC1 ZINC000045280047 175349918 /nfs/dbraw/zinc/34/99/18/175349918.db2.gz FFCUWABPPBFSMC-YOEHRIQHSA-N 1 1 298.471 2.817 10 0 CFAEMO COC(=O)[C@](C)(CC[N@@H+](C)[C@@H](C)CC(C)C)NC(C)C ZINC000045280034 175349960 /nfs/dbraw/zinc/34/99/60/175349960.db2.gz FIOHSLDRFXWSDU-HOCLYGCPSA-N 1 1 286.460 2.673 10 0 CFAEMO CCN[C@@](C)(CC[N@@H+](C)CC1CCCCC1)C(=O)OCC ZINC000045281660 175352557 /nfs/dbraw/zinc/35/25/57/175352557.db2.gz OUZSGFYCXIHJKR-KRWDZBQOSA-N 1 1 298.471 2.820 10 0 CFAEMO CC(C)[NH2+][C@](C)(CC[N@@H+](C)CC1CCCCC1)C(=O)[O-] ZINC000045281617 175352679 /nfs/dbraw/zinc/35/26/79/175352679.db2.gz QAVVUBXNKVRJQU-MRXNPFEDSA-N 1 1 284.444 2.730 10 0 CFAEMO CCCC[N@@H+](CC[C@@](C)(N)C(=O)OCC)[C@@H](C)CC ZINC000045282625 175352769 /nfs/dbraw/zinc/35/27/69/175352769.db2.gz PHOOEBKPZLZJOD-DZGCQCFKSA-N 1 1 272.433 2.558 10 0 CFAEMO COC(=O)[C@@](C)(CC[N@@H+](C)CC1CCCCC1)NC(C)C ZINC000045281678 175352793 /nfs/dbraw/zinc/35/27/93/175352793.db2.gz IEGQATBOPPBDBV-QGZVFWFLSA-N 1 1 298.471 2.818 10 0 CFAEMO CCCC[N@@H+](CC[C@](C)(N)C(=O)OCC)[C@@H](C)CC ZINC000045282623 175352843 /nfs/dbraw/zinc/35/28/43/175352843.db2.gz PHOOEBKPZLZJOD-ZFWWWQNUSA-N 1 1 272.433 2.558 10 0 CFAEMO CCOC(=O)[C@](C)(CCCC[N@H+]1CCC[C@@H]1C)NC1CC1 ZINC000045367843 175363059 /nfs/dbraw/zinc/36/30/59/175363059.db2.gz GPCXCIDKLMNIME-YOEHRIQHSA-N 1 1 296.455 2.715 10 0 CFAEMO CCOC(=O)[C@@](C)(CCC[N@H+]1CCC[C@@H]1C)NC(C)C ZINC000045367957 175363294 /nfs/dbraw/zinc/36/32/94/175363294.db2.gz ASXQWSCVBDBGEQ-GOEBONIOSA-N 1 1 284.444 2.571 10 0 CFAEMO CCCC[N@@H+](C)CCC[C@@](C)(NCCC)C(=O)OCC ZINC000045368390 175363788 /nfs/dbraw/zinc/36/37/88/175363788.db2.gz WZDQFYNCYHSDMJ-MRXNPFEDSA-N 1 1 286.460 2.820 10 0 CFAEMO CCCC[N@@H+](CC)CCC[C@@](C)(NC1CC1)C(=O)OC ZINC000045370778 175364000 /nfs/dbraw/zinc/36/40/00/175364000.db2.gz RTQWPORVMJAEEY-MRXNPFEDSA-N 1 1 284.444 2.572 10 0 CFAEMO CCCC[N@@H+](CC)CCC[C@@](C)(NCCC)C(=O)OC ZINC000045370722 175364078 /nfs/dbraw/zinc/36/40/78/175364078.db2.gz NKMOQAQXHKJZAW-MRXNPFEDSA-N 1 1 286.460 2.820 10 0 CFAEMO CCCC[N@H+](CC)CCCC[C@@](C)(N)C(=O)OCC ZINC000045370440 175364379 /nfs/dbraw/zinc/36/43/79/175364379.db2.gz DQDYCBLDWNYNLL-OAHLLOKOSA-N 1 1 272.433 2.559 10 0 CFAEMO CCCC[N@@H+](CC)CCCC[C@@](C)(N)C(=O)OCC ZINC000045370440 175364380 /nfs/dbraw/zinc/36/43/80/175364380.db2.gz DQDYCBLDWNYNLL-OAHLLOKOSA-N 1 1 272.433 2.559 10 0 CFAEMO CC[NH2+][C@@](C)(CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(=O)[O-] ZINC000045373216 175364902 /nfs/dbraw/zinc/36/49/02/175364902.db2.gz PLUSCTYXXCAQHX-LZWOXQAQSA-N 1 1 284.444 2.587 10 0 CFAEMO CCC[NH+](CCC)CCCC[C@@](C)(N)C(=O)OCC ZINC000045378508 175367484 /nfs/dbraw/zinc/36/74/84/175367484.db2.gz ORMPDQSASWKYKR-OAHLLOKOSA-N 1 1 272.433 2.559 10 0 CFAEMO CCC[NH2+][C@](C)(CCC[N@@H+](C)C1CCCCC1)C(=O)[O-] ZINC000045379111 175368128 /nfs/dbraw/zinc/36/81/28/175368128.db2.gz PLNINXBJZDNUNY-MRXNPFEDSA-N 1 1 284.444 2.874 10 0 CFAEMO CCCC[NH+](CCCC)CCC[C@@](C)(N)C(=O)OC ZINC000045380602 175369407 /nfs/dbraw/zinc/36/94/07/175369407.db2.gz QUXAVLFRFMJDEC-OAHLLOKOSA-N 1 1 272.433 2.559 10 0 CFAEMO CCN[C@](C)(CCC[N@@H+]1[C@H](C)CCC[C@@H]1C)C(=O)OC ZINC000045379714 175369413 /nfs/dbraw/zinc/36/94/13/175369413.db2.gz LAXVJLZBYCIKTQ-IJEWVQPXSA-N 1 1 284.444 2.571 10 0 CFAEMO CCOC(=O)[C@](C)(CCCC[N@@H+](C)CC(C)C)NC1CC1 ZINC000045380922 175369970 /nfs/dbraw/zinc/36/99/70/175369970.db2.gz PORJWHPDDNOFCH-KRWDZBQOSA-N 1 1 298.471 2.818 10 0 CFAEMO CCCN[C@@](C)(CCC[N@@H+](C)[C@@H](C)CC)C(=O)OCC ZINC000045381442 175370389 /nfs/dbraw/zinc/37/03/89/175370389.db2.gz LDSAQUFFNYJGSX-HOCLYGCPSA-N 1 1 286.460 2.818 10 0 CFAEMO CC[N@@H+](CCCC[C@@](C)(NC1CC1)C(=O)OC)CC(C)C ZINC000045381743 175370479 /nfs/dbraw/zinc/37/04/79/175370479.db2.gz NYIDAJWAEWSNHA-QGZVFWFLSA-N 1 1 298.471 2.818 10 0 CFAEMO CCC[NH2+][C@](C)(CCC[N@H+]1CCCC[C@@H]1CC)C(=O)[O-] ZINC000045384211 175370892 /nfs/dbraw/zinc/37/08/92/175370892.db2.gz RNYPDRGGXANUFX-GOEBONIOSA-N 1 1 284.444 2.874 10 0 CFAEMO CCCN[C@](C)(CCCC[N@@H+](C)C1CC1)C(=O)OCC ZINC000045383216 175371114 /nfs/dbraw/zinc/37/11/14/175371114.db2.gz ZLNKXMCKKQHYBM-MRXNPFEDSA-N 1 1 284.444 2.572 10 0 CFAEMO CCC[NH2+][C@@](C)(CCC[N@@H+](CC)[C@@H](C)CC)C(=O)[O-] ZINC000045385401 175372023 /nfs/dbraw/zinc/37/20/23/175372023.db2.gz PIHQBTAZUCLERD-ZFWWWQNUSA-N 1 1 272.433 2.730 10 0 CFAEMO CCCN[C@@](C)(CCC[N@@H+](C)C1CCCC1)C(=O)OCC ZINC000045384895 175372258 /nfs/dbraw/zinc/37/22/58/175372258.db2.gz QYTOYLSALYCHKJ-KRWDZBQOSA-N 1 1 298.471 2.962 10 0 CFAEMO CCOC(=O)[C@](C)(CCCC[N@@H+](CC)[C@@H](C)CC)NC ZINC000045385283 175372307 /nfs/dbraw/zinc/37/23/07/175372307.db2.gz AUHSGDNKSRZPDF-HOCLYGCPSA-N 1 1 286.460 2.818 10 0 CFAEMO CCC[N@@H+](CCCC[C@@](C)([NH2+]CC)C(=O)[O-])C(C)C ZINC000045385778 175372350 /nfs/dbraw/zinc/37/23/50/175372350.db2.gz BBFYDRMSUPCXPG-OAHLLOKOSA-N 1 1 272.433 2.730 10 0 CFAEMO C[N@@H+](CCCC[C@@](C)([NH2+]C1CC1)C(=O)[O-])C1CCCC1 ZINC000045384631 175372354 /nfs/dbraw/zinc/37/23/54/175372354.db2.gz OSYBDBKMGGUMOY-MRXNPFEDSA-N 1 1 282.428 2.626 10 0 CFAEMO COC(=O)[C@](C)(CCCC[N@@H+](C)C1CCCC1)NC1CC1 ZINC000045384751 175372438 /nfs/dbraw/zinc/37/24/38/175372438.db2.gz IRIXNQMTSJATHC-KRWDZBQOSA-N 1 1 296.455 2.715 10 0 CFAEMO CCC[N@@H+](CC)CCCC[C@@](C)(NC1CC1)C(=O)OC ZINC000045386973 175373365 /nfs/dbraw/zinc/37/33/65/175373365.db2.gz NUAWNJWMICXEHV-MRXNPFEDSA-N 1 1 284.444 2.572 10 0 CFAEMO CCCCC[N@@H+](C)CCCC[C@](C)(NCC)C(=O)OC ZINC000045387975 175373882 /nfs/dbraw/zinc/37/38/82/175373882.db2.gz TWLSKAKYCZOZCS-INIZCTEOSA-N 1 1 286.460 2.820 10 0 CFAEMO CCOC(=O)[C@](C)(CCC[N@@H+](C)[C@@H](C)C(C)C)NC1CC1 ZINC000045392211 175375411 /nfs/dbraw/zinc/37/54/11/175375411.db2.gz KJOYITHKZJGDAB-YOEHRIQHSA-N 1 1 298.471 2.817 10 0 CFAEMO CCN[C@](C)(CCC[N@@H+](C)[C@@H](C)C(C)C)C(=O)OCC ZINC000045392143 175375719 /nfs/dbraw/zinc/37/57/19/175375719.db2.gz REDYLXPIUCPOLR-GOEBONIOSA-N 1 1 286.460 2.674 10 0 CFAEMO C[N@@H+](CCCC[C@@](C)([NH3+])C(=O)[O-])C1CCCCCC1 ZINC000045419022 175377547 /nfs/dbraw/zinc/37/75/47/175377547.db2.gz ZTBAZYTYLATUHH-OAHLLOKOSA-N 1 1 270.417 2.613 10 0 CFAEMO CCN(CCC[C@](C)([NH2+]C)C(=O)OC)c1cccc(C)c1 ZINC000045420053 175378597 /nfs/dbraw/zinc/37/85/97/175378597.db2.gz MDNBVNWVLYALGX-KRWDZBQOSA-N 1 1 292.423 2.753 10 0 CFAEMO COc1ccc(-c2noc([C@H]([NH3+])C(C)C)n2)cc1F ZINC000045893277 175385838 /nfs/dbraw/zinc/38/58/38/175385838.db2.gz HGTXRLLCODFMTB-LLVKDONJSA-N 1 1 265.288 2.540 10 0 CFAEMO Cc1noc([C@@H]2C[N@@H+](C)CC[C@@H]2c2ccccc2)n1 ZINC000071186819 176060186 /nfs/dbraw/zinc/06/01/86/176060186.db2.gz SOAFXWCFVXGBQG-ZIAGYGMSSA-N 1 1 257.337 2.581 10 0 CFAEMO CC(C)CCOCCNCC[N@H+](C)C1CCCC1 ZINC000071377209 176142260 /nfs/dbraw/zinc/14/22/60/176142260.db2.gz ZWFNUJUDJZYEAC-UHFFFAOYSA-N 1 1 256.434 2.513 10 0 CFAEMO CC(C)CCOCCNCC[N@@H+](C)C1CCCC1 ZINC000071377209 176142261 /nfs/dbraw/zinc/14/22/61/176142261.db2.gz ZWFNUJUDJZYEAC-UHFFFAOYSA-N 1 1 256.434 2.513 10 0 CFAEMO C[N@@H+](CCNc1nc2ccccc2[nH]1)C1CCCC1 ZINC000071377567 176143142 /nfs/dbraw/zinc/14/31/42/176143142.db2.gz RAQVTUPUGZIVIX-UHFFFAOYSA-N 1 1 258.369 2.849 10 0 CFAEMO COc1ccc(CCc2nc3cc(C[NH3+])ccc3[nH]2)cc1 ZINC000071631773 176236660 /nfs/dbraw/zinc/23/66/60/176236660.db2.gz HFJLITZPPVPNIN-UHFFFAOYSA-N 1 1 281.359 2.815 10 0 CFAEMO Cc1nc(C[N@@H+]2CCC[C@@H](c3cnccn3)C2)cs1 ZINC000072386123 176391073 /nfs/dbraw/zinc/39/10/73/176391073.db2.gz XVYKRFHLQCGIDR-GFCCVEGCSA-N 1 1 274.393 2.621 10 0 CFAEMO Cc1nc(C[N@H+]2CCC[C@@H](c3cnccn3)C2)cs1 ZINC000072386123 176391075 /nfs/dbraw/zinc/39/10/75/176391075.db2.gz XVYKRFHLQCGIDR-GFCCVEGCSA-N 1 1 274.393 2.621 10 0 CFAEMO CC1(C)CC[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000076697544 177061235 /nfs/dbraw/zinc/06/12/35/177061235.db2.gz IIYDMQNCWMPTCT-HOTGVXAUSA-N 1 1 258.409 2.897 10 0 CFAEMO c1ccc(C[N@H+]2CCC[C@H](Nc3cncnc3)C2)cc1 ZINC000076722868 177070288 /nfs/dbraw/zinc/07/02/88/177070288.db2.gz PYMSIAQGZVFLRJ-HNNXBMFYSA-N 1 1 268.364 2.553 10 0 CFAEMO CCCCOC[C@@H](O)C[N@H+]1C[C@@H](CC)CC[C@H]1C ZINC000312894082 260219113 /nfs/dbraw/zinc/21/91/13/260219113.db2.gz RFFLFEMESOUVBH-ILXRZTDVSA-N 1 1 257.418 2.675 10 0 CFAEMO CCCCOC[C@@H](O)C[N@H+]1CCCC(C)(C)CC1 ZINC000193251036 270236730 /nfs/dbraw/zinc/23/67/30/270236730.db2.gz ONXCQVRFLBRJEZ-AWEZNQCLSA-N 1 1 257.418 2.676 10 0 CFAEMO COCC[N@@H+]1CCN(Cc2sccc2Cl)C[C@H]1C ZINC000194384770 270245508 /nfs/dbraw/zinc/24/55/08/270245508.db2.gz SVJUFFBVTCXBPH-LLVKDONJSA-N 1 1 288.844 2.554 10 0 CFAEMO COCC[N@H+]1CCN(Cc2sccc2Cl)C[C@H]1C ZINC000194384770 270245510 /nfs/dbraw/zinc/24/55/10/270245510.db2.gz SVJUFFBVTCXBPH-LLVKDONJSA-N 1 1 288.844 2.554 10 0 CFAEMO Clc1ccc2c(c1)[C@@H]([NH2+]C1COC1)CCS2 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ZINC000050816870 522730854 /nfs/dbraw/zinc/73/08/54/522730854.db2.gz KIRYSPDIAKWLMI-ONGXEEELSA-N 1 1 254.403 2.590 10 0 CFAEMO CNc1snnc1C[N@@H+](C)[C@H]1CCCC[C@@H]1C ZINC000050816870 522730864 /nfs/dbraw/zinc/73/08/64/522730864.db2.gz KIRYSPDIAKWLMI-ONGXEEELSA-N 1 1 254.403 2.590 10 0 CFAEMO CC[C@H](O)C[NH+]1CCN(CCC2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000151561470 522816106 /nfs/dbraw/zinc/81/61/06/522816106.db2.gz HZJVLCPRDWAICX-BQFCYCMXSA-N 1 1 296.499 2.837 10 0 CFAEMO CC[C@@H](NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(C)cc1 ZINC000151258002 522851092 /nfs/dbraw/zinc/85/10/92/522851092.db2.gz QGMUJLWJMRAKQY-QZTJIDSGSA-N 1 1 290.451 2.883 10 0 CFAEMO CC[C@@H]([NH2+]C[C@@H](O)CN1CCCCC1)c1ccc(C)cc1 ZINC000151258002 522851095 /nfs/dbraw/zinc/85/10/95/522851095.db2.gz QGMUJLWJMRAKQY-QZTJIDSGSA-N 1 1 290.451 2.883 10 0 CFAEMO CC[C@@H](O)C[NH+]1CCN(CC[C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000246191479 523000054 /nfs/dbraw/zinc/00/00/54/523000054.db2.gz HZJVLCPRDWAICX-VSZNYVQBSA-N 1 1 296.499 2.837 10 0 CFAEMO CN(C[C@@H]1CCCO1)C1(C[NH3+])CCC(C(F)(F)F)CC1 ZINC000069374528 523055144 /nfs/dbraw/zinc/05/51/44/523055144.db2.gz PPWDPLACEVZEMV-CPCZMJQVSA-N 1 1 294.361 2.547 10 0 CFAEMO C[N@H+](C[C@@H]1CCCO1)C1(CN)CCC(C(F)(F)F)CC1 ZINC000069374528 523055153 /nfs/dbraw/zinc/05/51/53/523055153.db2.gz PPWDPLACEVZEMV-CPCZMJQVSA-N 1 1 294.361 2.547 10 0 CFAEMO C[N@@H+](C[C@@H]1CCCO1)C1(CN)CCC(C(F)(F)F)CC1 ZINC000069374528 523055164 /nfs/dbraw/zinc/05/51/64/523055164.db2.gz PPWDPLACEVZEMV-CPCZMJQVSA-N 1 1 294.361 2.547 10 0 CFAEMO CC[C@@H]1CCC(=O)[C@H](C[N@H+]2C[C@H](C)OC[C@@H]2CC)C1 ZINC000053930304 523140338 /nfs/dbraw/zinc/14/03/38/523140338.db2.gz MQZOCVHHQDDBRG-XGUBFFRZSA-N 1 1 267.413 2.881 10 0 CFAEMO CCn1c(C)nnc1C[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000195061078 523149631 /nfs/dbraw/zinc/14/96/31/523149631.db2.gz WZNLFWMNBDGAGH-WCQYABFASA-N 1 1 250.390 2.617 10 0 CFAEMO C[N@H+](Cc1c(CN)oc2ccccc21)[C@@H]1CCSC1 ZINC000052453252 523152204 /nfs/dbraw/zinc/15/22/04/523152204.db2.gz SHCHNBXFQOBHFH-LLVKDONJSA-N 1 1 276.405 2.829 10 0 CFAEMO C[N@@H+](Cc1c(CN)oc2ccccc21)[C@@H]1CCSC1 ZINC000052453252 523152219 /nfs/dbraw/zinc/15/22/19/523152219.db2.gz SHCHNBXFQOBHFH-LLVKDONJSA-N 1 1 276.405 2.829 10 0 CFAEMO CCn1c(C)nnc1C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000195048596 523153109 /nfs/dbraw/zinc/15/31/09/523153109.db2.gz VWPZZNUUCRYSJE-HNNXBMFYSA-N 1 1 270.380 2.944 10 0 CFAEMO CCn1c(C)nnc1C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000195048596 523153120 /nfs/dbraw/zinc/15/31/20/523153120.db2.gz VWPZZNUUCRYSJE-HNNXBMFYSA-N 1 1 270.380 2.944 10 0 CFAEMO CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1CCCCCOC ZINC000227599971 523310206 /nfs/dbraw/zinc/31/02/06/523310206.db2.gz NQZXVIXCUJMUDD-JKSUJKDBSA-N 1 1 268.445 2.752 10 0 CFAEMO CC[C@H]1CN2CCCC[C@@H]2C[N@@H+]1CCCCCOC ZINC000227599971 523310213 /nfs/dbraw/zinc/31/02/13/523310213.db2.gz NQZXVIXCUJMUDD-JKSUJKDBSA-N 1 1 268.445 2.752 10 0 CFAEMO CC[C@H]1CN2CCCC[C@@H]2C[N@H+]1CCCCCOC ZINC000227599971 523310222 /nfs/dbraw/zinc/31/02/22/523310222.db2.gz NQZXVIXCUJMUDD-JKSUJKDBSA-N 1 1 268.445 2.752 10 0 CFAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(Cl)o1 ZINC000357215970 523317767 /nfs/dbraw/zinc/31/77/67/523317767.db2.gz RQZYBWUOJOZQMT-RYUDHWBXSA-N 1 1 268.788 2.992 10 0 CFAEMO C[N@H+](Cc1ccncc1)Cc1cc2ccccc2nc1N ZINC000050814023 523461868 /nfs/dbraw/zinc/46/18/68/523461868.db2.gz KEEZUDNKUMDMOY-UHFFFAOYSA-N 1 1 278.359 2.844 10 0 CFAEMO C[N@@H+](Cc1ccncc1)Cc1cc2ccccc2nc1N ZINC000050814023 523461875 /nfs/dbraw/zinc/46/18/75/523461875.db2.gz KEEZUDNKUMDMOY-UHFFFAOYSA-N 1 1 278.359 2.844 10 0 CFAEMO CO[C@@H](c1nc([C@@H]([NH3+])C(C)(C)C)no1)c1ccccc1 ZINC000050438338 523548526 /nfs/dbraw/zinc/54/85/26/523548526.db2.gz XRNYHAIALVKPAS-VXGBXAGGSA-N 1 1 275.352 2.851 10 0 CFAEMO C[N@@H+](Cc1nc2sccc2c(N)n1)CC(C)(C)C ZINC000050817022 523572299 /nfs/dbraw/zinc/57/22/99/523572299.db2.gz ISCFYRBJYFGSTE-UHFFFAOYSA-N 1 1 264.398 2.751 10 0 CFAEMO CCn1cnnc1[C@H]1CCC[N@H+]([C@H](C)c2ccccn2)C1 ZINC000246326105 523606546 /nfs/dbraw/zinc/60/65/46/523606546.db2.gz JWVNTNRJVUNUMF-KGLIPLIRSA-N 1 1 285.395 2.634 10 0 CFAEMO COCC[N@H+](Cc1cc2ccccc2nc1N)CC(C)C ZINC000050815093 523742434 /nfs/dbraw/zinc/74/24/34/523742434.db2.gz ZIFZNYHTZHQGOJ-UHFFFAOYSA-N 1 1 287.407 2.921 10 0 CFAEMO COCC[N@@H+](Cc1ccc(Cl)cc1N)C1CC1 ZINC000050443100 523748989 /nfs/dbraw/zinc/74/89/89/523748989.db2.gz NJPOVXCLSLORSA-UHFFFAOYSA-N 1 1 254.761 2.533 10 0 CFAEMO C[N@H+]1CCC[C@@H](Nc2nnc(Cl)c3ccccc32)C1 ZINC000050529623 523817752 /nfs/dbraw/zinc/81/77/52/523817752.db2.gz PSLBRVZULPGWSH-SNVBAGLBSA-N 1 1 276.771 2.789 10 0 CFAEMO COCC[N@@H+]1CCN(C(=O)CCCC2CCCC2)C[C@H]1C ZINC000173548795 523839551 /nfs/dbraw/zinc/83/95/51/523839551.db2.gz XNBASFASZFZPNY-OAHLLOKOSA-N 1 1 296.455 2.526 10 0 CFAEMO COCC[N@H+]1CCN(C(=O)CCCC2CCCC2)C[C@H]1C ZINC000173548795 523839558 /nfs/dbraw/zinc/83/95/58/523839558.db2.gz XNBASFASZFZPNY-OAHLLOKOSA-N 1 1 296.455 2.526 10 0 CFAEMO COCC[N@H+]1CCN([C@@H](C)c2ccc(F)cc2)C[C@@H]1C ZINC000170938987 523859017 /nfs/dbraw/zinc/85/90/17/523859017.db2.gz CTHWHEDYRHLHLD-KBPBESRZSA-N 1 1 280.387 2.539 10 0 CFAEMO COCCN1CC[N@@H+]([C@@H](C)c2ccc(F)cc2)C[C@@H]1C ZINC000170938987 523859029 /nfs/dbraw/zinc/85/90/29/523859029.db2.gz CTHWHEDYRHLHLD-KBPBESRZSA-N 1 1 280.387 2.539 10 0 CFAEMO COCCN1CC[N@H+]([C@@H](C)c2ccc(F)cc2)C[C@@H]1C ZINC000170938987 523859034 /nfs/dbraw/zinc/85/90/34/523859034.db2.gz CTHWHEDYRHLHLD-KBPBESRZSA-N 1 1 280.387 2.539 10 0 CFAEMO COc1ccc(C2CC([NH2+][C@@H](C)CCN(C)C)C2)cc1 ZINC000049553930 523882067 /nfs/dbraw/zinc/88/20/67/523882067.db2.gz ZSHPEDXNIPYGKZ-JEYLPNPQSA-N 1 1 276.424 2.871 10 0 CFAEMO CCc1ccc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1 ZINC000227360912 523931494 /nfs/dbraw/zinc/93/14/94/523931494.db2.gz PQJHHGQUZFEPEM-WMLDXEAASA-N 1 1 258.409 2.918 10 0 CFAEMO COC(=O)[C@](C)(CCCCOC1CCC1)[NH2+]C(C)C ZINC000050521621 523998934 /nfs/dbraw/zinc/99/89/34/523998934.db2.gz YUBINVHTOMVWRB-HNNXBMFYSA-N 1 1 271.401 2.656 10 0 CFAEMO C[C@H](CCN1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000246485860 524173430 /nfs/dbraw/zinc/17/34/30/524173430.db2.gz LTHWRPONOWKMFL-WBVHZDCISA-N 1 1 258.409 2.960 10 0 CFAEMO C[C@H](CC[N@@H+]1CCN2CCC[C@H]2C1)c1ccccc1 ZINC000246485860 524173437 /nfs/dbraw/zinc/17/34/37/524173437.db2.gz LTHWRPONOWKMFL-WBVHZDCISA-N 1 1 258.409 2.960 10 0 CFAEMO C[C@H](CC[N@H+]1CCN2CCC[C@H]2C1)c1ccccc1 ZINC000246485860 524173446 /nfs/dbraw/zinc/17/34/46/524173446.db2.gz LTHWRPONOWKMFL-WBVHZDCISA-N 1 1 258.409 2.960 10 0 CFAEMO Cc1cc(C)c(-c2nnc(C[NH2+]C3CC3)o2)c(C)c1 ZINC000050616119 524211825 /nfs/dbraw/zinc/21/18/25/524211825.db2.gz QVLICYVUZMMABK-UHFFFAOYSA-N 1 1 257.337 2.914 10 0 CFAEMO C[C@H](C[NH+]1CCCC1)N[C@H]1CCOc2ccccc21 ZINC000049149750 524318909 /nfs/dbraw/zinc/31/89/09/524318909.db2.gz KZCIOZOMTYBPAP-HIFRSBDPSA-N 1 1 260.381 2.584 10 0 CFAEMO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1ccnc(C)n1 ZINC000054790500 524332875 /nfs/dbraw/zinc/33/28/75/524332875.db2.gz YAUURLTYKXRRPU-JTQLQIEISA-N 1 1 275.327 2.784 10 0 CFAEMO C[C@@H](CCC[NH3+])N1CCN(c2ccccc2Cl)CC1 ZINC000052443402 524455920 /nfs/dbraw/zinc/45/59/20/524455920.db2.gz JYMPAZVCXVJWBR-ZDUSSCGKSA-N 1 1 281.831 2.589 10 0 CFAEMO C[C@@H](CCc1ccccc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246557496 524530076 /nfs/dbraw/zinc/53/00/76/524530076.db2.gz RJJXJQWQANAEFC-RDJZCZTQSA-N 1 1 258.409 2.788 10 0 CFAEMO C[C@@H](CCc1ccccc1)[N@@H+]1CCN2CCC[C@H]2C1 ZINC000246557496 524530084 /nfs/dbraw/zinc/53/00/84/524530084.db2.gz RJJXJQWQANAEFC-RDJZCZTQSA-N 1 1 258.409 2.788 10 0 CFAEMO C[C@@H](CCc1ccccc1)[N@H+]1CCN2CCC[C@H]2C1 ZINC000246557496 524530091 /nfs/dbraw/zinc/53/00/91/524530091.db2.gz RJJXJQWQANAEFC-RDJZCZTQSA-N 1 1 258.409 2.788 10 0 CFAEMO Cc1cccc(N2CCOC[C@H]2C[C@@H](O)c2ccccc2)[nH+]1 ZINC000274689697 524562247 /nfs/dbraw/zinc/56/22/47/524562247.db2.gz ZRWSWAASNJVGHY-IAGOWNOFSA-N 1 1 298.386 2.719 10 0 CFAEMO C[C@H]1CN(Cc2c3ccccc3sc2C[NH3+])C[C@H](C)O1 ZINC000052380580 524607576 /nfs/dbraw/zinc/60/75/76/524607576.db2.gz DAENFDIVZHGLKT-RYUDHWBXSA-N 1 1 290.432 2.969 10 0 CFAEMO COc1ccccc1NC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000246289455 524615393 /nfs/dbraw/zinc/61/53/93/524615393.db2.gz UJJDSAOGPKNTNN-GXTWGEPZSA-N 1 1 291.395 2.545 10 0 CFAEMO Cc1cc(CN[C@@H](C)C[NH+]2CCCCC2)c(C)n1C ZINC000052790240 524763181 /nfs/dbraw/zinc/76/31/81/524763181.db2.gz ZEVSXQQYSJIMKB-ZDUSSCGKSA-N 1 1 263.429 2.606 10 0 CFAEMO C[C@@H]1C[NH+](CCc2ccccc2Cl)C[C@@H](C)O1 ZINC000058906090 524961435 /nfs/dbraw/zinc/96/14/35/524961435.db2.gz XTWAMQHRLOYZAM-VXGBXAGGSA-N 1 1 253.773 2.992 10 0 CFAEMO C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)c1cccs1 ZINC000246126334 525006157 /nfs/dbraw/zinc/00/61/57/525006157.db2.gz APXGDXLVCJDQOC-FRRDWIJNSA-N 1 1 295.452 2.791 10 0 CFAEMO Cc1cc(N)cnc1O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000061702162 525040309 /nfs/dbraw/zinc/04/03/09/525040309.db2.gz YPJFOWNZJUNGNT-MRXNPFEDSA-N 1 1 283.375 2.626 10 0 CFAEMO C[C@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccs1 ZINC000173423583 525043186 /nfs/dbraw/zinc/04/31/86/525043186.db2.gz JIPYUEUERSAVLP-XQQFMLRXSA-N 1 1 293.436 2.687 10 0 CFAEMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1CCOc1ccccc1 ZINC000083704395 525080503 /nfs/dbraw/zinc/08/05/03/525080503.db2.gz IMAOOSIMWNTDSW-HZPDHXFCSA-N 1 1 274.408 2.624 10 0 CFAEMO C[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1CCOc1ccccc1 ZINC000083704395 525080516 /nfs/dbraw/zinc/08/05/16/525080516.db2.gz IMAOOSIMWNTDSW-HZPDHXFCSA-N 1 1 274.408 2.624 10 0 CFAEMO C[C@@H]1CN2CCCC[C@@H]2C[N@H+]1CCOc1ccccc1 ZINC000083704395 525080525 /nfs/dbraw/zinc/08/05/25/525080525.db2.gz IMAOOSIMWNTDSW-HZPDHXFCSA-N 1 1 274.408 2.624 10 0 CFAEMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1ccc(F)cc1 ZINC000083704252 525080692 /nfs/dbraw/zinc/08/06/92/525080692.db2.gz JVUPVOUBRPYFLW-CZUORRHYSA-N 1 1 262.372 2.884 10 0 CFAEMO COc1ccc([C@@H](N)C[NH+]2CCC(C)(C)CC2)cc1OC ZINC000061819624 525190743 /nfs/dbraw/zinc/19/07/43/525190743.db2.gz VJVUWNITLIILMD-AWEZNQCLSA-N 1 1 292.423 2.826 10 0 CFAEMO Cc1ccccc1OCCC[N@@H+]1[C@H](C)COC[C@@H]1C ZINC000077368532 525288961 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C[C@@H]1C[C@H](C)C[N@H+](CC(=O)Nc2cc(Cl)ccc2N)C1 ZINC000022222294 171378827 /nfs/dbraw/zinc/37/88/27/171378827.db2.gz CFAGAZLJALVPRN-PHIMTYICSA-N 1 1 295.814 2.839 10 0 CFAEMO COc1ccc([C@H]([NH3+])CN2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000022564193 171392089 /nfs/dbraw/zinc/39/20/89/171392089.db2.gz PMIHUTRUSBRGDS-XJKCOSOUSA-N 1 1 262.397 2.673 10 0 CFAEMO C[C@@H]1CCCC[N@H+]1Cc1cc(N)cc2c1OCOC2 ZINC000034964088 171907785 /nfs/dbraw/zinc/90/77/85/171907785.db2.gz VWYAQBFFLBCFQB-LLVKDONJSA-N 1 1 262.353 2.510 10 0 CFAEMO C[NH2+][C@@H](c1occc1C)c1cc(OC)ccc1OC ZINC000035466609 172214455 /nfs/dbraw/zinc/21/44/55/172214455.db2.gz IKWPMGLMRSWWKE-CQSZACIVSA-N 1 1 261.321 2.914 10 0 CFAEMO COc1cccc(-c2noc([C@H]([NH3+])C(C)(C)C)n2)c1 ZINC000035676568 172347460 /nfs/dbraw/zinc/34/74/60/172347460.db2.gz NWUBBHQXLOJSIT-NSHDSACASA-N 1 1 261.325 2.791 10 0 CFAEMO C[C@H](CO)[C@H]1CCCC[N@H+]1C[C@@H]1Cc2ccccc21 ZINC000661445163 413990851 /nfs/dbraw/zinc/99/08/51/413990851.db2.gz ZOMFXXDABJSHAL-UKPHBRMFSA-N 1 1 259.393 2.809 10 0 CFAEMO CCCCC[N@@H+](C)C[C@@H](N)c1ccc(OC)cc1 ZINC000037165822 173000780 /nfs/dbraw/zinc/00/07/80/173000780.db2.gz PJQKVHFJFNUNPV-OAHLLOKOSA-N 1 1 250.386 2.817 10 0 CFAEMO CCCCCN(C)C[C@@H]([NH3+])c1ccc(OC)cc1 ZINC000037165822 173000782 /nfs/dbraw/zinc/00/07/82/173000782.db2.gz PJQKVHFJFNUNPV-OAHLLOKOSA-N 1 1 250.386 2.817 10 0 CFAEMO CC(C)C[C@@H](C[NH+](C)C)NCc1ccccc1F ZINC000037167289 173001112 /nfs/dbraw/zinc/00/11/12/173001112.db2.gz SYARABBHHSCPTO-AWEZNQCLSA-N 1 1 252.377 2.892 10 0 CFAEMO CCCCC[N@@H+](C)Cc1ccccc1C(N)=S ZINC000037171672 173004437 /nfs/dbraw/zinc/00/44/37/173004437.db2.gz UKZRVDNJUNXKFL-UHFFFAOYSA-N 1 1 250.411 2.943 10 0 CFAEMO C[N@@H+](Cc1cc(N)ccc1Cl)[C@H]1CCSC1 ZINC000037174119 173008367 /nfs/dbraw/zinc/00/83/67/173008367.db2.gz FNBFZBPCVKRSQQ-NSHDSACASA-N 1 1 256.802 2.860 10 0 CFAEMO C[N@@H+](Cc1ccc(Cl)c(N)c1)[C@@H]1CCSC1 ZINC000037174120 173008566 /nfs/dbraw/zinc/00/85/66/173008566.db2.gz BYVZYYJSRDDXNX-SNVBAGLBSA-N 1 1 256.802 2.860 10 0 CFAEMO C[N@H+]([C@@H](CN)c1ccc(Cl)cc1)[C@@H]1CCSC1 ZINC000037174532 173009875 /nfs/dbraw/zinc/00/98/75/173009875.db2.gz SUGMKSUZPSNSOE-OLZOCXBDSA-N 1 1 270.829 2.777 10 0 CFAEMO C[N@@H+]([C@@H](CN)c1ccc(Cl)cc1)[C@@H]1CCSC1 ZINC000037174532 173009878 /nfs/dbraw/zinc/00/98/78/173009878.db2.gz SUGMKSUZPSNSOE-OLZOCXBDSA-N 1 1 270.829 2.777 10 0 CFAEMO CCC[N@@H+]1CCC[C@@H]([C@@H](C)NCc2ccncc2)C1 ZINC000037221164 173040207 /nfs/dbraw/zinc/04/02/07/173040207.db2.gz FEFPCKRFBMESDW-GDBMZVCRSA-N 1 1 261.413 2.682 10 0 CFAEMO CCC[N@H+]1CCC[C@@H]([C@@H](C)NCc2ccncc2)C1 ZINC000037221164 173040208 /nfs/dbraw/zinc/04/02/08/173040208.db2.gz FEFPCKRFBMESDW-GDBMZVCRSA-N 1 1 261.413 2.682 10 0 CFAEMO COc1nc2sccn2c1C[NH2+][C@H](C)c1cccnc1 ZINC000037228930 173048653 /nfs/dbraw/zinc/04/86/53/173048653.db2.gz UXRDZHCICIKYJL-SNVBAGLBSA-N 1 1 288.376 2.650 10 0 CFAEMO COC(=O)c1ccccc1C[NH2+][C@H](C)c1cccnc1 ZINC000037228874 173048993 /nfs/dbraw/zinc/04/89/93/173048993.db2.gz MYCZFGGJYLXKPV-GFCCVEGCSA-N 1 1 270.332 2.719 10 0 CFAEMO CC[C@H]([C@H]([NH3+])c1ccccc1)N1CCC(OC)CC1 ZINC000037266088 173075078 /nfs/dbraw/zinc/07/50/78/173075078.db2.gz RGPMXROKEAPPOL-HZPDHXFCSA-N 1 1 262.397 2.576 10 0 CFAEMO Cc1ccc(C[N@H+](C)Cc2ccc(O)c(N)c2)cc1 ZINC000037272990 173084300 /nfs/dbraw/zinc/08/43/00/173084300.db2.gz JBQYCXUSNYEUSK-UHFFFAOYSA-N 1 1 256.349 2.915 10 0 CFAEMO CC(C)[C@@H]([NH2+][C@H](C)c1nncn1C)c1cccs1 ZINC000037293683 173097372 /nfs/dbraw/zinc/09/73/72/173097372.db2.gz RFONPWVELQMTER-ZYHUDNBSSA-N 1 1 264.398 2.925 10 0 CFAEMO CC[C@H](C)[C@@H]([NH3+])c1nc(Cc2ccc(F)cc2)no1 ZINC000037330929 173132635 /nfs/dbraw/zinc/13/26/35/173132635.db2.gz ZAGMVMNCWXPHHM-TVQRCGJNSA-N 1 1 263.316 2.845 10 0 CFAEMO COC1CC[NH+]([C@@H](C)C(=O)c2ccc(C)cc2)CC1 ZINC000037337389 173138199 /nfs/dbraw/zinc/13/81/99/173138199.db2.gz ZUDQBQPRXAOCSJ-ZDUSSCGKSA-N 1 1 261.365 2.677 10 0 CFAEMO CC[C@@H]1CCC[N@H+](CC(=O)c2ccc(OC)cc2)C1 ZINC000037339587 173139839 /nfs/dbraw/zinc/13/98/39/173139839.db2.gz ODTXLVMHGWQTLJ-CYBMUJFWSA-N 1 1 261.365 3.000 10 0 CFAEMO CC[C@@H]1CCC[N@@H+](CC(=O)c2ccc(OC)cc2)C1 ZINC000037339587 173139841 /nfs/dbraw/zinc/13/98/41/173139841.db2.gz ODTXLVMHGWQTLJ-CYBMUJFWSA-N 1 1 261.365 3.000 10 0 CFAEMO Cc1cc(C(=O)CN2CC[NH+](C(C)C)CC2)c(C)s1 ZINC000037339689 173139848 /nfs/dbraw/zinc/13/98/48/173139848.db2.gz SLUYUWFCPIPZGK-UHFFFAOYSA-N 1 1 280.437 2.574 10 0 CFAEMO C[N@H+](CC(=O)c1ccccc1Cl)C1CCOCC1 ZINC000037340024 173141044 /nfs/dbraw/zinc/14/10/44/173141044.db2.gz PKUXXPAMLDNSPV-UHFFFAOYSA-N 1 1 267.756 2.634 10 0 CFAEMO C[N@@H+](CC(=O)c1ccccc1Cl)C1CCOCC1 ZINC000037340024 173141047 /nfs/dbraw/zinc/14/10/47/173141047.db2.gz PKUXXPAMLDNSPV-UHFFFAOYSA-N 1 1 267.756 2.634 10 0 CFAEMO C[N@H+](CC(=O)c1ccc(Cl)s1)C1CCOCC1 ZINC000037340002 173141585 /nfs/dbraw/zinc/14/15/85/173141585.db2.gz CSBAQKFZZRWMKQ-UHFFFAOYSA-N 1 1 273.785 2.695 10 0 CFAEMO C[N@@H+](CC(=O)c1ccc(Cl)s1)C1CCOCC1 ZINC000037340002 173141588 /nfs/dbraw/zinc/14/15/88/173141588.db2.gz CSBAQKFZZRWMKQ-UHFFFAOYSA-N 1 1 273.785 2.695 10 0 CFAEMO COC(C[NH2+]Cc1cc(Cl)ccc1OC(F)F)OC ZINC000037405001 173180686 /nfs/dbraw/zinc/18/06/86/173180686.db2.gz CJTQVWGVSLJEGG-UHFFFAOYSA-N 1 1 295.713 2.650 10 0 CFAEMO Brc1ccc2nc(CC[NH2+]C3CC3)[nH]c2c1 ZINC000037474945 173228233 /nfs/dbraw/zinc/22/82/33/173228233.db2.gz MWDCVASLHUZOKG-UHFFFAOYSA-N 1 1 280.169 2.620 10 0 CFAEMO C[N@H+]1CC[C@@H](CNc2ncc(Cl)cc2Cl)C1 ZINC000037485186 173229400 /nfs/dbraw/zinc/22/94/00/173229400.db2.gz SQJZXQKYJPWOPL-QMMMGPOBSA-N 1 1 260.168 2.752 10 0 CFAEMO CCN(CCO)c1ccc([NH2+]CCC(C)C)cc1 ZINC000037495465 173234770 /nfs/dbraw/zinc/23/47/70/173234770.db2.gz LUXIYUYPZBJOBE-UHFFFAOYSA-N 1 1 250.386 2.963 10 0 CFAEMO COc1ccc(CC[C@@](C)(C[NH3+])N2CCCCC2)cc1 ZINC000037497408 173236720 /nfs/dbraw/zinc/23/67/20/173236720.db2.gz JPKMCOTZIXGZTE-KRWDZBQOSA-N 1 1 276.424 2.831 10 0 CFAEMO CCC[NH2+][C@](C)(C(N)=O)c1cc(Cl)ccc1Cl ZINC000037513859 173245491 /nfs/dbraw/zinc/24/54/91/173245491.db2.gz JWCJSODIHQJACS-LBPRGKRZSA-N 1 1 275.179 2.694 10 0 CFAEMO COC(C[NH2+][C@@H](CC(F)(F)F)c1ccccc1)OC ZINC000037566871 173514550 /nfs/dbraw/zinc/51/45/50/173514550.db2.gz VTRZATVNCTUQQB-NSHDSACASA-N 1 1 277.286 2.889 10 0 CFAEMO C[N@@H+]1[C@@H]2CC[C@H]1CC(CNc1ncnc3sccc31)C2 ZINC000038019319 173995795 /nfs/dbraw/zinc/99/57/95/173995795.db2.gz YJLPHNVZJPFPQU-YOGCLGLASA-N 1 1 288.420 2.976 10 0 CFAEMO CC(C)Oc1cccc([C@@H](C)NC2CC[NH2+]CC2)c1 ZINC000038041086 174040901 /nfs/dbraw/zinc/04/09/01/174040901.db2.gz JOCJPADTTUDRBM-CYBMUJFWSA-N 1 1 262.397 2.876 10 0 CFAEMO CC[C@@H](C)[NH2+][C@@](C)(C(N)=O)c1ccccc1Br ZINC000038065654 174076573 /nfs/dbraw/zinc/07/65/73/174076573.db2.gz ZDNUTQDMWDHWCE-NOZJJQNGSA-N 1 1 299.212 2.538 10 0 CFAEMO C[C@H](CN[C@H]1CSCc2ccccc21)[NH+](C)C ZINC000038087458 174099904 /nfs/dbraw/zinc/09/99/04/174099904.db2.gz GDMLBFDYIDWJKE-RISCZKNCSA-N 1 1 250.411 2.514 10 0 CFAEMO CC[N@H+]1CC[C@H](CNCc2nc3ccccc3s2)C1 ZINC000038090435 174104004 /nfs/dbraw/zinc/10/40/04/174104004.db2.gz QQNGQFZVUXQVRR-GFCCVEGCSA-N 1 1 275.421 2.728 10 0 CFAEMO Cc1csc(C[NH2+]Cc2c(C)nc3sccn23)n1 ZINC000038091022 174104844 /nfs/dbraw/zinc/10/48/44/174104844.db2.gz ZQRIWZJMJLRNDC-UHFFFAOYSA-N 1 1 278.406 2.759 10 0 CFAEMO COc1cccc([C@@H](N)C[N@H+](C)Cc2ccccc2)c1 ZINC000038137748 174133626 /nfs/dbraw/zinc/13/36/26/174133626.db2.gz VUFIQFHYERLEPK-KRWDZBQOSA-N 1 1 270.376 2.827 10 0 CFAEMO COc1cccc([C@@H](N)C[N@@H+](C)Cc2ccccc2)c1 ZINC000038137748 174133629 /nfs/dbraw/zinc/13/36/29/174133629.db2.gz VUFIQFHYERLEPK-KRWDZBQOSA-N 1 1 270.376 2.827 10 0 CFAEMO [NH3+]C[C@@]1(NCc2ccccc2)CCc2ccccc2C1 ZINC000038438337 174141455 /nfs/dbraw/zinc/14/14/55/174141455.db2.gz XRQMDCPCPNCLBM-GOSISDBHSA-N 1 1 266.388 2.663 10 0 CFAEMO COc1ccc([C@@H](CN)[N@H+]2[C@H](C)CCC[C@@H]2C)cc1OC ZINC000039789161 174173617 /nfs/dbraw/zinc/17/36/17/174173617.db2.gz YJLQILLSWPJEAF-VNHYZAJKSA-N 1 1 292.423 2.967 10 0 CFAEMO COc1ccc([C@@H](CN)[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1OC ZINC000039789161 174173621 /nfs/dbraw/zinc/17/36/21/174173621.db2.gz YJLQILLSWPJEAF-VNHYZAJKSA-N 1 1 292.423 2.967 10 0 CFAEMO C[N@H+]1CC[C@@H]2[C@H](CCC[C@@H]2NC(=O)c2ccccc2)C1 ZINC000040440255 174263081 /nfs/dbraw/zinc/26/30/81/174263081.db2.gz IVYNIYYTFLHWEX-OAGGEKHMSA-N 1 1 272.392 2.537 10 0 CFAEMO CC[N@@H+]1CCC[C@H](NCc2ccc(F)c(F)c2)C1 ZINC000040502053 174297880 /nfs/dbraw/zinc/29/78/80/174297880.db2.gz HTRFZQABXRRMOU-LBPRGKRZSA-N 1 1 254.324 2.539 10 0 CFAEMO CC[N@H+]1CCC[C@H](NCc2ccc(F)c(F)c2)C1 ZINC000040502053 174297882 /nfs/dbraw/zinc/29/78/82/174297882.db2.gz HTRFZQABXRRMOU-LBPRGKRZSA-N 1 1 254.324 2.539 10 0 CFAEMO CCCN(c1[nH+]c(C)cc(C)c1C(N)=S)C1CC1 ZINC000040510227 174303979 /nfs/dbraw/zinc/30/39/79/174303979.db2.gz LEIFGXKKIRVTEZ-UHFFFAOYSA-N 1 1 263.410 2.711 10 0 CFAEMO C[NH2+]C[C@H]1CCCN([C@@H](C)c2cc(C)ccc2OC)C1 ZINC000040592536 174347618 /nfs/dbraw/zinc/34/76/18/174347618.db2.gz YBYOYVLFNIDRCI-LSDHHAIUSA-N 1 1 276.424 2.996 10 0 CFAEMO CC(C)[N@H+]1CC[C@@H](CNc2nncc3ccccc32)C1 ZINC000040623827 174355982 /nfs/dbraw/zinc/35/59/82/174355982.db2.gz WUCAIMLOLWZZOK-ZDUSSCGKSA-N 1 1 270.380 2.772 10 0 CFAEMO CN1CCC([N@@H+](C)Cc2cc3ccccc3cc2N)CC1 ZINC000040638327 174362713 /nfs/dbraw/zinc/36/27/13/174362713.db2.gz QSSXHWFTMNVWNR-UHFFFAOYSA-N 1 1 283.419 2.948 10 0 CFAEMO CN(Cc1cc2ccccc2cc1N)C1CC[NH+](C)CC1 ZINC000040638327 174362714 /nfs/dbraw/zinc/36/27/14/174362714.db2.gz QSSXHWFTMNVWNR-UHFFFAOYSA-N 1 1 283.419 2.948 10 0 CFAEMO CC[N@H+]1CCC[C@@H]([C@@H](C)NCc2cccc3c2OCO3)C1 ZINC000040667125 174366533 /nfs/dbraw/zinc/36/65/33/174366533.db2.gz SRJRRDIDJIEQLG-UKRRQHHQSA-N 1 1 290.407 2.625 10 0 CFAEMO C[C@H](N[C@@H]1CCC[N@H+](C)C1)c1c(F)cccc1F ZINC000040671907 174369883 /nfs/dbraw/zinc/36/98/83/174369883.db2.gz RQKQWSHKVLCWIJ-WDEREUQCSA-N 1 1 254.324 2.710 10 0 CFAEMO C[C@H](N[C@@H]1CCC[N@@H+](C)C1)c1c(F)cccc1F ZINC000040671907 174369884 /nfs/dbraw/zinc/36/98/84/174369884.db2.gz RQKQWSHKVLCWIJ-WDEREUQCSA-N 1 1 254.324 2.710 10 0 CFAEMO CCOC1CC[NH+]([C@H](CN)c2ccc(C)c(C)c2)CC1 ZINC000040678587 174374544 /nfs/dbraw/zinc/37/45/44/174374544.db2.gz RUAUASAXAIRLTG-QGZVFWFLSA-N 1 1 276.424 2.804 10 0 CFAEMO CCOC1CCN([C@H](CC)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000040689231 174376148 /nfs/dbraw/zinc/37/61/48/174376148.db2.gz PUSVZDHKWGPIFX-SJORKVTESA-N 1 1 276.424 2.966 10 0 CFAEMO CCOC1CC[NH+]([C@H](C)[C@@H](N)c2ccc(OC)cc2)CC1 ZINC000040689273 174376235 /nfs/dbraw/zinc/37/62/35/174376235.db2.gz HOGUMBBFVNDZCX-CXAGYDPISA-N 1 1 292.423 2.584 10 0 CFAEMO CCOC1CCN([C@@H]2CCCc3ccccc3[C@H]2[NH3+])CC1 ZINC000040689286 174376717 /nfs/dbraw/zinc/37/67/17/174376717.db2.gz BFVZGAKYBNLVDN-QZTJIDSGSA-N 1 1 288.435 2.892 10 0 CFAEMO CCCNc1[nH+]cnc(NCc2ccc(F)cc2)c1N ZINC000040707924 174380041 /nfs/dbraw/zinc/38/00/41/174380041.db2.gz DVKWQAYCQBAPGS-UHFFFAOYSA-N 1 1 275.331 2.632 10 0 CFAEMO CCCNc1nc[nH+]c(NCc2ccc(F)cc2)c1N ZINC000040707924 174380042 /nfs/dbraw/zinc/38/00/42/174380042.db2.gz DVKWQAYCQBAPGS-UHFFFAOYSA-N 1 1 275.331 2.632 10 0 CFAEMO C[N@H+]1CCC[C@H](n2c(N)nc3cc(Cl)ccc32)C1 ZINC000040715938 174383610 /nfs/dbraw/zinc/38/36/10/174383610.db2.gz GURSEGYZDXWWFL-JTQLQIEISA-N 1 1 264.760 2.539 10 0 CFAEMO Nc1c(NC2CCCC2)[nH+]cnc1N1CCCCCC1 ZINC000040725678 174386887 /nfs/dbraw/zinc/38/68/87/174386887.db2.gz QNQWOYBZJLRLMU-UHFFFAOYSA-N 1 1 275.400 2.794 10 0 CFAEMO CCN(CCOc1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748220 174393132 /nfs/dbraw/zinc/39/31/32/174393132.db2.gz VTIHDXUKKNIURG-XYPWUTKMSA-N 1 1 292.398 2.809 10 0 CFAEMO COc1ccc([C@H](C)[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c(OC)c1 ZINC000040749399 174393934 /nfs/dbraw/zinc/39/39/34/174393934.db2.gz YLEHWNQTFZDPKO-FUDCBSFHSA-N 1 1 290.407 2.719 10 0 CFAEMO COc1ccc([C@H](C)N2[C@@H]3CC[C@H]2CC([NH3+])C3)c(OC)c1 ZINC000040749399 174393935 /nfs/dbraw/zinc/39/39/35/174393935.db2.gz YLEHWNQTFZDPKO-FUDCBSFHSA-N 1 1 290.407 2.719 10 0 CFAEMO Cc1nnc(S[C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2C[NH3+])[nH]1 ZINC000041632924 174588318 /nfs/dbraw/zinc/58/83/18/174588318.db2.gz KZTKIALERBXNNI-GRYCIOLGSA-N 1 1 282.457 2.995 10 0 CFAEMO CC[N@H+]1CCC[C@H](n2c(C)cc3c2CCC[C@@H]3O)C1 ZINC000041719048 174617144 /nfs/dbraw/zinc/61/71/44/174617144.db2.gz OIHUJMOBEJLWAR-BBRMVZONSA-N 1 1 262.397 2.823 10 0 CFAEMO CC[C@@H](N)[C@H](c1ccccn1)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043341036 175015398 /nfs/dbraw/zinc/01/53/98/175015398.db2.gz CXDMHOHIOLKEGY-YSVLISHTSA-N 1 1 291.439 2.607 10 0 CFAEMO CC[C@@H](N)[C@H](c1ccccn1)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043341036 175015400 /nfs/dbraw/zinc/01/54/00/175015400.db2.gz CXDMHOHIOLKEGY-YSVLISHTSA-N 1 1 291.439 2.607 10 0 CFAEMO C[C@@H](N)[C@H](c1cccnc1)[N@H+](C)CC1CCCCC1 ZINC000043347692 175017824 /nfs/dbraw/zinc/01/78/24/175017824.db2.gz LVZXWSARYADATE-CZUORRHYSA-N 1 1 261.413 2.982 10 0 CFAEMO C[C@@H](N)[C@H](c1cccnc1)[N@@H+](C)CC1CCCCC1 ZINC000043347692 175017825 /nfs/dbraw/zinc/01/78/25/175017825.db2.gz LVZXWSARYADATE-CZUORRHYSA-N 1 1 261.413 2.982 10 0 CFAEMO C[C@@H](N)[C@H](c1ccncc1)[N@H+](C)CC1CCCCC1 ZINC000043354250 175021628 /nfs/dbraw/zinc/02/16/28/175021628.db2.gz UUIBUXYRMQRREL-CZUORRHYSA-N 1 1 261.413 2.982 10 0 CFAEMO C[C@@H](N)[C@H](c1ccncc1)[N@@H+](C)CC1CCCCC1 ZINC000043354250 175021629 /nfs/dbraw/zinc/02/16/29/175021629.db2.gz UUIBUXYRMQRREL-CZUORRHYSA-N 1 1 261.413 2.982 10 0 CFAEMO CC[C@@H](N)[C@H](c1ccncc1)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043354738 175021949 /nfs/dbraw/zinc/02/19/49/175021949.db2.gz MGMAGPSDFCVZCK-XKQJLSEDSA-N 1 1 291.439 2.607 10 0 CFAEMO CC[C@@H](N)[C@H](c1ccncc1)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043354738 175021950 /nfs/dbraw/zinc/02/19/50/175021950.db2.gz MGMAGPSDFCVZCK-XKQJLSEDSA-N 1 1 291.439 2.607 10 0 CFAEMO CCC(CC)[N@H+](CCOC)[C@H](c1ccncc1)[C@@H](C)N ZINC000043354728 175022465 /nfs/dbraw/zinc/02/24/65/175022465.db2.gz ZALQCBWEPYKGCA-CJNGLKHVSA-N 1 1 279.428 2.607 10 0 CFAEMO CCC(CC)[N@@H+](CCOC)[C@H](c1ccncc1)[C@@H](C)N ZINC000043354728 175022466 /nfs/dbraw/zinc/02/24/66/175022466.db2.gz ZALQCBWEPYKGCA-CJNGLKHVSA-N 1 1 279.428 2.607 10 0 CFAEMO CCC(CC)[N@@H+](CCOC)[C@@H](c1ccncc1)[C@H](N)CC ZINC000043354729 175022677 /nfs/dbraw/zinc/02/26/77/175022677.db2.gz ICEXERKYXHWFMU-SJORKVTESA-N 1 1 293.455 2.997 10 0 CFAEMO CCC(CC)[N@H+](CCOC)[C@@H](c1ccncc1)[C@H](N)CC ZINC000043354729 175022678 /nfs/dbraw/zinc/02/26/78/175022678.db2.gz ICEXERKYXHWFMU-SJORKVTESA-N 1 1 293.455 2.997 10 0 CFAEMO CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)N1CCN(C(C)(C)C)CC1 ZINC000043364756 175025545 /nfs/dbraw/zinc/02/55/45/175025545.db2.gz YATSNJFDUAGKNQ-HOCLYGCPSA-N 1 1 293.455 2.783 10 0 CFAEMO CC[C@@H](N)[C@@H](c1ccc(C)o1)[N@H+](CCOC)CC(C)C ZINC000043364971 175025925 /nfs/dbraw/zinc/02/59/25/175025925.db2.gz DEVVVHZRKCOZPP-ZBFHGGJFSA-N 1 1 282.428 2.971 10 0 CFAEMO CC[C@@H](N)[C@@H](c1ccc(C)o1)[N@@H+](CCOC)CC(C)C ZINC000043364971 175025927 /nfs/dbraw/zinc/02/59/27/175025927.db2.gz DEVVVHZRKCOZPP-ZBFHGGJFSA-N 1 1 282.428 2.971 10 0 CFAEMO CC[C@@H](N)[C@@H](c1ccc(C)o1)[N@H+](CCO)C1CCCC1 ZINC000043365205 175026367 /nfs/dbraw/zinc/02/63/67/175026367.db2.gz CAKOZXVYZWUHJO-ZBFHGGJFSA-N 1 1 280.412 2.603 10 0 CFAEMO CC[C@@H](N)[C@@H](c1ccc(C)o1)[N@@H+](CCO)C1CCCC1 ZINC000043365205 175026369 /nfs/dbraw/zinc/02/63/69/175026369.db2.gz CAKOZXVYZWUHJO-ZBFHGGJFSA-N 1 1 280.412 2.603 10 0 CFAEMO C[N@H+]([C@@H](CN)c1ccc(Cl)c(F)c1)C1CCOCC1 ZINC000043390361 175033719 /nfs/dbraw/zinc/03/37/19/175033719.db2.gz RBWIVIBWTJUUIO-AWEZNQCLSA-N 1 1 286.778 2.590 10 0 CFAEMO C[N@@H+]([C@@H](CN)c1ccc(Cl)c(F)c1)C1CCOCC1 ZINC000043390361 175033720 /nfs/dbraw/zinc/03/37/20/175033720.db2.gz RBWIVIBWTJUUIO-AWEZNQCLSA-N 1 1 286.778 2.590 10 0 CFAEMO COCC[N@@H+](CC(C)C)[C@@H](CN)c1cc(C)cc(C)c1 ZINC000043394452 175034728 /nfs/dbraw/zinc/03/47/28/175034728.db2.gz OKSGLXUWDNZJST-KRWDZBQOSA-N 1 1 278.440 2.908 10 0 CFAEMO COCCN(CC(C)C)[C@@H](C[NH3+])c1cc(C)cc(C)c1 ZINC000043394452 175034729 /nfs/dbraw/zinc/03/47/29/175034729.db2.gz OKSGLXUWDNZJST-KRWDZBQOSA-N 1 1 278.440 2.908 10 0 CFAEMO CCOC1CC[NH+]([C@@H](CN)c2cc(C)cc(C)c2)CC1 ZINC000043394257 175034904 /nfs/dbraw/zinc/03/49/04/175034904.db2.gz CCZBILKLBOYPRG-KRWDZBQOSA-N 1 1 276.424 2.804 10 0 CFAEMO C[C@H](C[NH+]1CCCC1)NCc1ccc(O)c(Cl)c1 ZINC000043488559 175056655 /nfs/dbraw/zinc/05/66/55/175056655.db2.gz JZDUYDJGSQCVTM-LLVKDONJSA-N 1 1 268.788 2.620 10 0 CFAEMO C[C@H](C[C@@H](CN)[N@@H+](C)C1CCOCC1)c1ccccc1 ZINC000043534838 175062627 /nfs/dbraw/zinc/06/26/27/175062627.db2.gz ZYVLXSJSJMNNFE-PBHICJAKSA-N 1 1 276.424 2.618 10 0 CFAEMO C[C@H](C[C@@H](C[NH3+])N(C)C1CCOCC1)c1ccccc1 ZINC000043534838 175062628 /nfs/dbraw/zinc/06/26/28/175062628.db2.gz ZYVLXSJSJMNNFE-PBHICJAKSA-N 1 1 276.424 2.618 10 0 CFAEMO COC1CC[NH+]([C@@H](CN)C[C@H](C)c2ccccc2)CC1 ZINC000043534724 175062779 /nfs/dbraw/zinc/06/27/79/175062779.db2.gz PQFPSXVIHXCLEL-GOEBONIOSA-N 1 1 276.424 2.618 10 0 CFAEMO CCOc1ccc2nc(S[C@@H](CC)C[NH3+])[nH]c2c1 ZINC000043542430 175063813 /nfs/dbraw/zinc/06/38/13/175063813.db2.gz RYSOLYKJAPAZHM-JTQLQIEISA-N 1 1 265.382 2.791 10 0 CFAEMO Cc1nnc([C@H]2[NH2+]CCc3ccccc32)n1C1CCCC1 ZINC000043594626 175075389 /nfs/dbraw/zinc/07/53/89/175075389.db2.gz FAZAVTGGXWJXGH-INIZCTEOSA-N 1 1 282.391 2.937 10 0 CFAEMO C[NH2+][C@H](c1ccco1)c1ccc(Br)o1 ZINC000043607257 175078429 /nfs/dbraw/zinc/07/84/29/175078429.db2.gz PIOMTUWNBRMUSB-SNVBAGLBSA-N 1 1 256.099 2.944 10 0 CFAEMO [NH3+][C@@H](c1ccco1)c1ccccc1I ZINC000043606946 175078552 /nfs/dbraw/zinc/07/85/52/175078552.db2.gz AZQRARBJXDWXGD-LLVKDONJSA-N 1 1 299.111 2.932 10 0 CFAEMO C[NH2+][C@H](c1ccc(C)o1)c1c(OC)cccc1OC ZINC000043610142 175078731 /nfs/dbraw/zinc/07/87/31/175078731.db2.gz OJMDAQNZBYXFPA-OAHLLOKOSA-N 1 1 261.321 2.914 10 0 CFAEMO CCN1CCN([C@H](C(C)C)[C@@H]([NH2+]C)c2ccccc2)CC1 ZINC000043805811 175107697 /nfs/dbraw/zinc/10/76/97/175107697.db2.gz HBQGVXYGUAAFKR-ZWKOTPCHSA-N 1 1 289.467 2.609 10 0 CFAEMO CC[NH2+][C@H](c1ccccc1)[C@H](CC)N1CCN(CC)CC1 ZINC000043806105 175108293 /nfs/dbraw/zinc/10/82/93/175108293.db2.gz NGIZCAHXXSJKNE-ZWKOTPCHSA-N 1 1 289.467 2.753 10 0 CFAEMO CC[NH2+][C@H](CN1CCN(CC)CC1)c1ccc(C)cc1C ZINC000043806055 175108330 /nfs/dbraw/zinc/10/83/30/175108330.db2.gz NYKBDQVRJLJHND-GOSISDBHSA-N 1 1 289.467 2.592 10 0 CFAEMO CN[C@H](C[NH+]1CCC(C)CC1)c1ccccc1OC ZINC000043806338 175108458 /nfs/dbraw/zinc/10/84/58/175108458.db2.gz SYSLTOGXRBKVET-OAHLLOKOSA-N 1 1 262.397 2.688 10 0 CFAEMO CC[NH2+][C@@H]1CC[C@@H](C(C)(C)C)C[C@@H]1N1CCN(CC)CC1 ZINC000043806028 175108664 /nfs/dbraw/zinc/10/86/64/175108664.db2.gz OFEPYTKDKVLDHZ-ZACQAIPSSA-N 1 1 295.515 2.817 10 0 CFAEMO CCOc1ccccc1[C@H](C[NH+](CC)CC)NC ZINC000043809007 175109468 /nfs/dbraw/zinc/10/94/68/175109468.db2.gz RJKRRXVTBUVDTI-AWEZNQCLSA-N 1 1 250.386 2.688 10 0 CFAEMO CCOc1ccc([C@H](C[NH+](CC)CC)NC)cc1 ZINC000043808967 175109581 /nfs/dbraw/zinc/10/95/81/175109581.db2.gz JJGTYQOZAGYPIF-HNNXBMFYSA-N 1 1 250.386 2.688 10 0 CFAEMO CCCC[N@H+](C)C[C@H](NC)c1ccc(OC)cc1OC ZINC000043816666 175112115 /nfs/dbraw/zinc/11/21/15/175112115.db2.gz IPSGBFYFEJQOGV-HNNXBMFYSA-N 1 1 280.412 2.696 10 0 CFAEMO CCCC[N@@H+](C)C[C@H](NC)c1ccc(OC)cc1OC ZINC000043816666 175112116 /nfs/dbraw/zinc/11/21/16/175112116.db2.gz IPSGBFYFEJQOGV-HNNXBMFYSA-N 1 1 280.412 2.696 10 0 CFAEMO CCCC[N@H+](C)C[C@@H](NC)c1ccccc1OC ZINC000043816696 175112414 /nfs/dbraw/zinc/11/24/14/175112414.db2.gz BXLFJSCESXKIOO-CQSZACIVSA-N 1 1 250.386 2.688 10 0 CFAEMO CCCC[N@@H+](C)C[C@@H](NC)c1ccccc1OC ZINC000043816696 175112416 /nfs/dbraw/zinc/11/24/16/175112416.db2.gz BXLFJSCESXKIOO-CQSZACIVSA-N 1 1 250.386 2.688 10 0 CFAEMO CN[C@H]1c2ccccc2OC[C@H]1[NH+]1CCCCCCC1 ZINC000043819127 175113738 /nfs/dbraw/zinc/11/37/38/175113738.db2.gz GBDBDPMLHFEQOH-WBVHZDCISA-N 1 1 274.408 2.974 10 0 CFAEMO CCOc1ccc([C@H](C)[NH2+]C)cc1CN(C)C1CC1 ZINC000043822939 175114497 /nfs/dbraw/zinc/11/44/97/175114497.db2.gz WCVSHVRDANKZPL-LBPRGKRZSA-N 1 1 262.397 2.960 10 0 CFAEMO CN[C@H](C[N@H+](C)C1CCCC1)c1ccc2c(c1)OCO2 ZINC000043883643 175116176 /nfs/dbraw/zinc/11/61/76/175116176.db2.gz LOEPQANOPXDWMN-CQSZACIVSA-N 1 1 276.380 2.550 10 0 CFAEMO CN[C@H](C[N@@H+](C)C1CCCC1)c1ccc2c(c1)OCO2 ZINC000043883643 175116177 /nfs/dbraw/zinc/11/61/77/175116177.db2.gz LOEPQANOPXDWMN-CQSZACIVSA-N 1 1 276.380 2.550 10 0 CFAEMO CN[C@H](C[N@@H+](C)CC(C)C)c1cc(OC)ccc1OC ZINC000043886576 175116571 /nfs/dbraw/zinc/11/65/71/175116571.db2.gz YTKBCFDWPKHATO-OAHLLOKOSA-N 1 1 280.412 2.552 10 0 CFAEMO C[NH2+][C@H](CN(C)CC(C)C)c1cc(OC)ccc1OC ZINC000043886576 175116574 /nfs/dbraw/zinc/11/65/74/175116574.db2.gz YTKBCFDWPKHATO-OAHLLOKOSA-N 1 1 280.412 2.552 10 0 CFAEMO CCC[N@H+](C)C[C@@H](NC)c1ccccc1OCC ZINC000043885925 175116710 /nfs/dbraw/zinc/11/67/10/175116710.db2.gz LIUZQUABFUOHSK-CQSZACIVSA-N 1 1 250.386 2.688 10 0 CFAEMO CCC[N@@H+](C)C[C@@H](NC)c1ccccc1OCC ZINC000043885925 175116711 /nfs/dbraw/zinc/11/67/11/175116711.db2.gz LIUZQUABFUOHSK-CQSZACIVSA-N 1 1 250.386 2.688 10 0 CFAEMO CCC[N@H+](CC)C[C@H](NCC)c1ccc2c(c1)OCO2 ZINC000043884582 175116781 /nfs/dbraw/zinc/11/67/81/175116781.db2.gz BMJHMKFTOMISJX-AWEZNQCLSA-N 1 1 278.396 2.798 10 0 CFAEMO CCC[N@@H+](CC)C[C@H](NCC)c1ccc2c(c1)OCO2 ZINC000043884582 175116782 /nfs/dbraw/zinc/11/67/82/175116782.db2.gz BMJHMKFTOMISJX-AWEZNQCLSA-N 1 1 278.396 2.798 10 0 CFAEMO CCC[N@@H+](C[C@H](NC)c1ccc2c(c1)OCO2)C(C)C ZINC000043884944 175117031 /nfs/dbraw/zinc/11/70/31/175117031.db2.gz YAIFUERXRFVYNF-AWEZNQCLSA-N 1 1 278.396 2.796 10 0 CFAEMO CCCN(C[C@H]([NH2+]C)c1ccc2c(c1)OCO2)C(C)C ZINC000043884944 175117032 /nfs/dbraw/zinc/11/70/32/175117032.db2.gz YAIFUERXRFVYNF-AWEZNQCLSA-N 1 1 278.396 2.796 10 0 CFAEMO CCN[C@@H](C[N@H+](C)CC(C)C)c1ccc2c(c1)OCO2 ZINC000043886825 175117485 /nfs/dbraw/zinc/11/74/85/175117485.db2.gz GCOJGWLXGRITJH-AWEZNQCLSA-N 1 1 278.396 2.654 10 0 CFAEMO CCN[C@@H](C[N@@H+](C)CC(C)C)c1ccc2c(c1)OCO2 ZINC000043886825 175117486 /nfs/dbraw/zinc/11/74/86/175117486.db2.gz GCOJGWLXGRITJH-AWEZNQCLSA-N 1 1 278.396 2.654 10 0 CFAEMO CC[N@H+](CC(C)C)[C@H]1COc2ccccc2[C@@H]1NC ZINC000043888005 175117494 /nfs/dbraw/zinc/11/74/94/175117494.db2.gz TYYQRPRSSDVHOI-HOCLYGCPSA-N 1 1 262.397 2.686 10 0 CFAEMO CC[N@@H+](CC(C)C)[C@H]1COc2ccccc2[C@@H]1NC ZINC000043888005 175117495 /nfs/dbraw/zinc/11/74/95/175117495.db2.gz TYYQRPRSSDVHOI-HOCLYGCPSA-N 1 1 262.397 2.686 10 0 CFAEMO CCC[NH2+][C@H]1CCC2(C[C@@H]1N(CC)[C@@H](C)CC)OCCO2 ZINC000043888992 175117589 /nfs/dbraw/zinc/11/75/89/175117589.db2.gz VQZHMAUTSGPQDZ-JYJNAYRXSA-N 1 1 298.471 2.771 10 0 CFAEMO CCN[C@@H](C[N@H+](C)CC(C)C)c1cc(OC)ccc1OC ZINC000043886835 175117686 /nfs/dbraw/zinc/11/76/86/175117686.db2.gz OUMUTRBCXKTNKF-INIZCTEOSA-N 1 1 294.439 2.942 10 0 CFAEMO CCN[C@@H](C[N@@H+](C)CC(C)C)c1cc(OC)ccc1OC ZINC000043886835 175117688 /nfs/dbraw/zinc/11/76/88/175117688.db2.gz OUMUTRBCXKTNKF-INIZCTEOSA-N 1 1 294.439 2.942 10 0 CFAEMO CC[N@@H+](CC(C)C)C[C@@H](NC)c1ccc(OC)c(OC)c1 ZINC000043887983 175117898 /nfs/dbraw/zinc/11/78/98/175117898.db2.gz NEBAOZRAPXOPSD-OAHLLOKOSA-N 1 1 294.439 2.942 10 0 CFAEMO CCN(CC(C)C)C[C@@H]([NH2+]C)c1ccc(OC)c(OC)c1 ZINC000043887983 175117899 /nfs/dbraw/zinc/11/78/99/175117899.db2.gz NEBAOZRAPXOPSD-OAHLLOKOSA-N 1 1 294.439 2.942 10 0 CFAEMO CC[C@H]1CCC[N@H+]([C@@H]2Cc3ccccc3[C@@H]2NC)C1 ZINC000043896647 175119214 /nfs/dbraw/zinc/11/92/14/175119214.db2.gz ONBCICITDQBJHE-XKQJLSEDSA-N 1 1 258.409 2.994 10 0 CFAEMO CC[C@H]1CCCN([C@@H]2Cc3ccccc3[C@@H]2[NH2+]C)C1 ZINC000043896647 175119215 /nfs/dbraw/zinc/11/92/15/175119215.db2.gz ONBCICITDQBJHE-XKQJLSEDSA-N 1 1 258.409 2.994 10 0 CFAEMO CN[C@@H](C[N@@H+](C)[C@@H](C)C(C)C)c1ccccc1OC ZINC000043895288 175119313 /nfs/dbraw/zinc/11/93/13/175119313.db2.gz RSKPZUAJXHQIHR-ZFWWWQNUSA-N 1 1 264.413 2.932 10 0 CFAEMO C[NH2+][C@@H](CN(C)[C@@H](C)C(C)C)c1ccccc1OC ZINC000043895288 175119314 /nfs/dbraw/zinc/11/93/14/175119314.db2.gz RSKPZUAJXHQIHR-ZFWWWQNUSA-N 1 1 264.413 2.932 10 0 CFAEMO CN[C@@H](C[N@H+](C)C1CCOCC1)c1ccc(C)c(C)c1 ZINC000043898265 175120949 /nfs/dbraw/zinc/12/09/49/175120949.db2.gz BWFUCXMITYWLKJ-KRWDZBQOSA-N 1 1 276.424 2.675 10 0 CFAEMO CN[C@@H](C[N@@H+](C)C1CCOCC1)c1ccc(C)c(C)c1 ZINC000043898265 175120950 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CCC[NH2+][C@](C)(CCC[N@@H+](CCC)C(C)C)C(=O)[O-] ZINC000045385943 175372088 /nfs/dbraw/zinc/37/20/88/175372088.db2.gz CSROPEVHHZAZAI-OAHLLOKOSA-N 1 1 272.433 2.730 10 0 CFAEMO CCC[N@@H+](CCC[C@](C)(NCC)C(=O)OCC)C(C)C ZINC000045386018 175372318 /nfs/dbraw/zinc/37/23/18/175372318.db2.gz RWDPKYGIPZNXCL-INIZCTEOSA-N 1 1 286.460 2.818 10 0 CFAEMO CCC[N@@H+](CCCC[C@](C)(NCC)C(=O)OC)C(C)C ZINC000045385856 175372383 /nfs/dbraw/zinc/37/23/83/175372383.db2.gz PNMVVZHGIQZEJH-INIZCTEOSA-N 1 1 286.460 2.818 10 0 CFAEMO CCC[N@@H+](CCCC[C@@](C)(NCC)C(=O)OCC)C1CC1 ZINC000045387451 175372884 /nfs/dbraw/zinc/37/28/84/175372884.db2.gz WWEVSKOGVVERRH-QGZVFWFLSA-N 1 1 298.471 2.962 10 0 CFAEMO CCC[NH2+][C@@](C)(CCC[N@@H+](C)C[C@@H](C)CC)C(=O)[O-] ZINC000045388587 175373645 /nfs/dbraw/zinc/37/36/45/175373645.db2.gz JPVOLPWXIOJCAG-ZFWWWQNUSA-N 1 1 272.433 2.587 10 0 CFAEMO CCCCC[N@@H+](C)CCCC[C@@](C)(NC)C(=O)OCC ZINC000045387963 175373979 /nfs/dbraw/zinc/37/39/79/175373979.db2.gz IFFYIDKCFOCQTP-MRXNPFEDSA-N 1 1 286.460 2.820 10 0 CFAEMO CCCN[C@@](C)(CCC[N@@H+](C)C(CC)CC)C(=O)OC ZINC000045391621 175374642 /nfs/dbraw/zinc/37/46/42/175374642.db2.gz CSBJMQKFOZAPOQ-INIZCTEOSA-N 1 1 286.460 2.818 10 0 CFAEMO CC(C)[NH2+]C[C@@H]1CC[C@@H](CN2Cc3ccccc3C2)O1 ZINC000052374520 175534384 /nfs/dbraw/zinc/53/43/84/175534384.db2.gz FXKYJTQOZPEGKJ-IRXDYDNUSA-N 1 1 274.408 2.548 10 0 CFAEMO CC[C@@H]([NH3+])c1nnc([C@@H]2CCCc3ccccc32)o1 ZINC000061498071 175649378 /nfs/dbraw/zinc/64/93/78/175649378.db2.gz YYMWCOUXLFSPGC-CHWSQXEVSA-N 1 1 257.337 2.948 10 0 CFAEMO CC(C)(C)[C@@H]([NH3+])c1nc(-c2ccc3nccnc3c2)no1 ZINC000070432502 175927175 /nfs/dbraw/zinc/92/71/75/175927175.db2.gz KWTDIYDQHSHJQQ-LBPRGKRZSA-N 1 1 283.335 2.726 10 0 CFAEMO CN(Cc1ccc(Br)cc1)C[C@H]1CC[N@H+](C)C1 ZINC000071190403 176067244 /nfs/dbraw/zinc/06/72/44/176067244.db2.gz HBOAKXYBWPAQLU-ZDUSSCGKSA-N 1 1 297.240 2.833 10 0 CFAEMO CN(Cc1ccc(Br)cc1)C[C@H]1CC[N@@H+](C)C1 ZINC000071190403 176067246 /nfs/dbraw/zinc/06/72/46/176067246.db2.gz 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260.381 2.583 10 0 CFAEMO C[C@@H]1C[C@@H](N[C@H]2CCOc3ccccc32)CC[N@H+]1C ZINC000248042258 274394427 /nfs/dbraw/zinc/39/44/27/274394427.db2.gz TYZMBFIITPYLAN-IPYPFGDCSA-N 1 1 260.381 2.583 10 0 CFAEMO C[C@@H]1C[C@@H]([NH2+][C@H]2CCOc3ccccc32)CCN1C ZINC000248042258 274394430 /nfs/dbraw/zinc/39/44/30/274394430.db2.gz TYZMBFIITPYLAN-IPYPFGDCSA-N 1 1 260.381 2.583 10 0 CFAEMO c1ccc2nc(N3CC[N@H+]4CCC[C@H]4C3)ccc2c1 ZINC000246193513 275071922 /nfs/dbraw/zinc/07/19/22/275071922.db2.gz SLZGVORTCRMFRM-AWEZNQCLSA-N 1 1 253.349 2.519 10 0 CFAEMO CC1(C)C[C@@H]([NH2+]Cc2cc[nH]n2)c2ccccc2O1 ZINC000126887365 275861370 /nfs/dbraw/zinc/86/13/70/275861370.db2.gz RDGXFYWWSDNYFS-CYBMUJFWSA-N 1 1 257.337 2.802 10 0 CFAEMO CC[N@H+]1CCC[C@@H](NC(=O)NC(CC)(CC)CC)C1 ZINC000174238169 276166802 /nfs/dbraw/zinc/16/68/02/276166802.db2.gz KHWSRTXLFKGKKV-CYBMUJFWSA-N 1 1 269.433 2.739 10 0 CFAEMO CC[N@H+]1CCC[C@@H]1CN(C)c1nc(C)nc2c1CCCC2 ZINC000302102980 276170174 /nfs/dbraw/zinc/17/01/74/276170174.db2.gz 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/nfs/dbraw/zinc/28/91/06/521289106.db2.gz ZHDXXWKOAHHWDU-UHFFFAOYSA-N 1 1 251.374 2.547 10 0 CFAEMO CCC(C)(C)[N@@H+](C)CCC(=O)Nc1cccc(N)c1 ZINC000069427988 521300853 /nfs/dbraw/zinc/30/08/53/521300853.db2.gz FMSBSNBXDUHYIJ-UHFFFAOYSA-N 1 1 263.385 2.718 10 0 CFAEMO CCC(C)(C)[N@@H+](C)C[C@@H](N)c1cc(OC)ccc1OC ZINC000069430606 521304040 /nfs/dbraw/zinc/30/40/40/521304040.db2.gz VYTBPUGXBJHTLF-CQSZACIVSA-N 1 1 280.412 2.824 10 0 CFAEMO CC[N@@H+](Cc1ccc(Cl)cc1N)[C@@H](C)COC ZINC000050443222 521307765 /nfs/dbraw/zinc/30/77/65/521307765.db2.gz YBFGUMPNYUJIGE-JTQLQIEISA-N 1 1 256.777 2.779 10 0 CFAEMO CCC(C)(C)[N@@H+](C)[C@H](CN)c1ccc(OC)c(OC)c1 ZINC000069430007 521308245 /nfs/dbraw/zinc/30/82/45/521308245.db2.gz CJAKZKXSKZGYGP-CYBMUJFWSA-N 1 1 280.412 2.824 10 0 CFAEMO CCC(C)(C)N(C)[C@H](C[NH3+])c1ccc(OC)c(OC)c1 ZINC000069430007 521308252 /nfs/dbraw/zinc/30/82/52/521308252.db2.gz CJAKZKXSKZGYGP-CYBMUJFWSA-N 1 1 280.412 2.824 10 0 CFAEMO CCC(C)(C)[N@@H+](C)[C@@H](CN)c1ccc(OC)c(OC)c1 ZINC000069430006 521310337 /nfs/dbraw/zinc/31/03/37/521310337.db2.gz CJAKZKXSKZGYGP-ZDUSSCGKSA-N 1 1 280.412 2.824 10 0 CFAEMO CCC(C)(C)N(C)[C@@H](C[NH3+])c1ccc(OC)c(OC)c1 ZINC000069430006 521310346 /nfs/dbraw/zinc/31/03/46/521310346.db2.gz CJAKZKXSKZGYGP-ZDUSSCGKSA-N 1 1 280.412 2.824 10 0 CFAEMO CCOC(=O)[C@](C)(CCCCOC(C)(C)C)[NH2+]C ZINC000045474255 521319071 /nfs/dbraw/zinc/31/90/71/521319071.db2.gz YQURMLSLQFGRCC-AWEZNQCLSA-N 1 1 259.390 2.513 10 0 CFAEMO CCOc1cccc([C@H](CN)[N@@H+](CC)CC2CC2)c1 ZINC000069237582 521422389 /nfs/dbraw/zinc/42/23/89/521422389.db2.gz DBMPZUIBLULHKP-INIZCTEOSA-N 1 1 262.397 2.817 10 0 CFAEMO CCOc1cccc([C@H](C[NH3+])N(CC)CC2CC2)c1 ZINC000069237582 521422401 /nfs/dbraw/zinc/42/24/01/521422401.db2.gz DBMPZUIBLULHKP-INIZCTEOSA-N 1 1 262.397 2.817 10 0 CFAEMO CC[N@@H+](Cc1nc2sccc2c(NC)n1)C1CC1 ZINC000050812623 521457447 /nfs/dbraw/zinc/45/74/47/521457447.db2.gz QIDCWQFJQCMSMU-UHFFFAOYSA-N 1 1 262.382 2.717 10 0 CFAEMO CC[N@H+](Cc1nc2sccc2c(NC)n1)C1CC1 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ZINC000061151361 521944939 /nfs/dbraw/zinc/94/49/39/521944939.db2.gz JSQJBCZWQLUXRM-UHFFFAOYSA-N 1 1 265.744 2.768 10 0 CFAEMO CCc1ccccc1[C@H](CN)[N@H+](C)CCc1ccncc1 ZINC000052203608 521950904 /nfs/dbraw/zinc/95/09/04/521950904.db2.gz QKCJTXNCJZIZAH-SFHVURJKSA-N 1 1 283.419 2.818 10 0 CFAEMO CCc1ccccc1[C@H](CN)[N@@H+](C)CCc1ccncc1 ZINC000052203608 521950914 /nfs/dbraw/zinc/95/09/14/521950914.db2.gz QKCJTXNCJZIZAH-SFHVURJKSA-N 1 1 283.419 2.818 10 0 CFAEMO C[NH2+]CC1(CN(C)Cc2ccc(Cl)cc2)CCOCC1 ZINC000052197870 521966949 /nfs/dbraw/zinc/96/69/49/521966949.db2.gz YXWVKJVEKIPCOS-UHFFFAOYSA-N 1 1 296.842 2.788 10 0 CFAEMO C[NH2+]Cc1noc(-c2cccc(Br)c2C)n1 ZINC000083891157 522158519 /nfs/dbraw/zinc/15/85/19/522158519.db2.gz MQXHVMKRRKOUOM-UHFFFAOYSA-N 1 1 282.141 2.527 10 0 CFAEMO C[NH2+]Cc1occc1CN(C)Cc1ccc(C)cc1 ZINC000052424639 522164290 /nfs/dbraw/zinc/16/42/90/522164290.db2.gz JKCQPCMMLLOOQV-UHFFFAOYSA-N 1 1 258.365 2.939 10 0 CFAEMO COC[C@@H](C)N(C)Cc1cc(C[NH2+]C(C)C)c(C)o1 ZINC000052511476 522218613 /nfs/dbraw/zinc/21/86/13/522218613.db2.gz XZQKMTUUGJQHMO-GFCCVEGCSA-N 1 1 268.401 2.553 10 0 CFAEMO CCc1nc(C)c([C@H](C)[NH2+][C@H]2CCCn3ncnc32)s1 ZINC000164642674 522234793 /nfs/dbraw/zinc/23/47/93/522234793.db2.gz DRAIOAQCZMBMGZ-ONGXEEELSA-N 1 1 291.424 2.791 10 0 CFAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C2(SC)CC2)C1 ZINC000191759450 522595967 /nfs/dbraw/zinc/59/59/67/522595967.db2.gz WQFLKJOUGGZHDP-LBPRGKRZSA-N 1 1 293.436 2.505 10 0 CFAEMO CCc1nnc(C[N@@H+]2CCC[C@@H]2c2ccccc2)n1C ZINC000195048509 522730335 /nfs/dbraw/zinc/73/03/35/522730335.db2.gz BJIMNCBYGURTIP-CQSZACIVSA-N 1 1 270.380 2.715 10 0 CFAEMO CCc1nnc(C[N@H+]2CCC[C@@H]2c2ccccc2)n1C ZINC000195048509 522730344 /nfs/dbraw/zinc/73/03/44/522730344.db2.gz BJIMNCBYGURTIP-CQSZACIVSA-N 1 1 270.380 2.715 10 0 CFAEMO CNc1snnc1C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000050814260 522733024 /nfs/dbraw/zinc/73/30/24/522733024.db2.gz RQFMYCUFOFHPMI-JQWIXIFHSA-N 1 1 266.414 2.734 10 0 CFAEMO CNc1snnc1C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000050814260 522733032 /nfs/dbraw/zinc/73/30/32/522733032.db2.gz RQFMYCUFOFHPMI-JQWIXIFHSA-N 1 1 266.414 2.734 10 0 CFAEMO CCc1nnc(C[N@H+]2CC[C@H](c3ccccc3)[C@H]2C)n1C ZINC000246498923 522734863 /nfs/dbraw/zinc/73/48/63/522734863.db2.gz PTVAVPBFASKQMR-HIFRSBDPSA-N 1 1 284.407 2.756 10 0 CFAEMO CC[C@H](c1ccccc1)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173921963 522947335 /nfs/dbraw/zinc/94/73/35/522947335.db2.gz BAJOFARCQUNPJO-DLBZAZTESA-N 1 1 274.408 2.544 10 0 CFAEMO COc1cc([C@H](C)N[C@H](C)C[NH+]2CCCC2)ccc1O ZINC000049149561 522947428 /nfs/dbraw/zinc/94/74/28/522947428.db2.gz FXZWSRMCOBKNFR-OLZOCXBDSA-N 1 1 278.396 2.536 10 0 CFAEMO COCc1cccc(CNCC[C@H]2CCCC[N@@H+]2C)c1 ZINC000052205684 523053179 /nfs/dbraw/zinc/05/31/79/523053179.db2.gz QIDGEOMOOZKDQR-QGZVFWFLSA-N 1 1 276.424 2.797 10 0 CFAEMO COCc1cccc(CNCC[C@H]2CCCC[N@H+]2C)c1 ZINC000052205684 523053189 /nfs/dbraw/zinc/05/31/89/523053189.db2.gz QIDGEOMOOZKDQR-QGZVFWFLSA-N 1 1 276.424 2.797 10 0 CFAEMO CC[C@H]1CCC[N@H+]1Cc1nc2sccc2c(N)n1 ZINC000050791591 523111519 /nfs/dbraw/zinc/11/15/19/523111519.db2.gz GAZWESVAFNWYFE-VIFPVBQESA-N 1 1 262.382 2.648 10 0 CFAEMO CCn1c(C)nnc1C[N@@H+](C)[C@@H]1CCc2ccccc2C1 ZINC000172277690 523151114 /nfs/dbraw/zinc/15/11/14/523151114.db2.gz JWSIEXOIERWTIY-MRXNPFEDSA-N 1 1 284.407 2.596 10 0 CFAEMO C[N@@H+](Cc1cc2ccccc2nc1N)[C@@H]1CCSC1 ZINC000050813264 523185210 /nfs/dbraw/zinc/18/52/10/523185210.db2.gz PUOMTBXGFBYZAM-CYBMUJFWSA-N 1 1 273.405 2.754 10 0 CFAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(F)c(F)c1 ZINC000246935343 523483562 /nfs/dbraw/zinc/48/35/62/523483562.db2.gz KEDOBZZYFKTVHG-OLZOCXBDSA-N 1 1 294.345 2.664 10 0 CFAEMO CCn1ccnc1NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000050614144 523550895 /nfs/dbraw/zinc/55/08/95/523550895.db2.gz BSVGVUJPHZABMV-DZGCQCFKSA-N 1 1 264.417 2.825 10 0 CFAEMO CC[C@H](C(=O)N1CC[N@H+]2CCCC[C@@H]2C1)c1ccccc1 ZINC000195068875 523762808 /nfs/dbraw/zinc/76/28/08/523762808.db2.gz BBRAMHRITVEIQI-SJORKVTESA-N 1 1 286.419 2.877 10 0 CFAEMO C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000050925615 523796069 /nfs/dbraw/zinc/79/60/69/523796069.db2.gz AEHYTEAUZICQTN-LSDHHAIUSA-N 1 1 282.428 2.580 10 0 CFAEMO C[NH+]1CCCC[C@H]1CC[N@@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000050925615 523796071 /nfs/dbraw/zinc/79/60/71/523796071.db2.gz AEHYTEAUZICQTN-LSDHHAIUSA-N 1 1 282.428 2.580 10 0 CFAEMO C[NH+]1CCCC[C@H]1CC[N@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000050925615 523796078 /nfs/dbraw/zinc/79/60/78/523796078.db2.gz AEHYTEAUZICQTN-LSDHHAIUSA-N 1 1 282.428 2.580 10 0 CFAEMO C[N@H+]1CCCC[C@H]1CCNc1ccc2c(c1)OCO2 ZINC000052205414 523798580 /nfs/dbraw/zinc/79/85/80/523798580.db2.gz DVVGFERUHLRXQL-ZDUSSCGKSA-N 1 1 262.353 2.702 10 0 CFAEMO C[N@H+]1CCCC[C@H]1CNc1ccc(Cl)cc1C(N)=S ZINC000052859003 523800434 /nfs/dbraw/zinc/80/04/34/523800434.db2.gz XMCQJNQUEPGFHA-NSHDSACASA-N 1 1 297.855 2.870 10 0 CFAEMO C[N@H+]1CCC[C@H](CNc2ccc(-n3cccn3)cc2)C1 ZINC000054241280 523841051 /nfs/dbraw/zinc/84/10/51/523841051.db2.gz JEYMZWGCECWSGH-CQSZACIVSA-N 1 1 270.380 2.626 10 0 CFAEMO CC[C@H](C)[N@H+](C)Cc1cc(CNC(C)(C)C)no1 ZINC000052444123 523922803 /nfs/dbraw/zinc/92/28/03/523922803.db2.gz DERWJKPRAIIADL-NSHDSACASA-N 1 1 253.390 2.793 10 0 CFAEMO CC[C@H](C)[N@@H+](C)Cc1cc(CNC(C)(C)C)no1 ZINC000052444123 523922807 /nfs/dbraw/zinc/92/28/07/523922807.db2.gz DERWJKPRAIIADL-NSHDSACASA-N 1 1 253.390 2.793 10 0 CFAEMO CCc1ccc(CC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000155505724 523910524 /nfs/dbraw/zinc/91/05/24/523910524.db2.gz VZFOQMNSKGSZFV-YOEHRIQHSA-N 1 1 288.435 2.636 10 0 CFAEMO COCC[NH2+]C[C@H](C)Sc1nc2ccc(C)cc2[nH]1 ZINC000061441339 523942254 /nfs/dbraw/zinc/94/22/54/523942254.db2.gz XHUMMPVDXBIWFL-NSHDSACASA-N 1 1 279.409 2.588 10 0 CFAEMO COc1ccc(CN2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)cc1 ZINC000227353409 524041558 /nfs/dbraw/zinc/04/15/58/524041558.db2.gz ZZZFLUHKZUOURU-HOCLYGCPSA-N 1 1 274.408 2.754 10 0 CFAEMO COc1ccc(C[N@@H+]2C[C@@H]3CCCCN3C[C@@H]2C)cc1 ZINC000227353409 524041561 /nfs/dbraw/zinc/04/15/61/524041561.db2.gz ZZZFLUHKZUOURU-HOCLYGCPSA-N 1 1 274.408 2.754 10 0 CFAEMO COc1ccc(C[N@H+]2C[C@@H]3CCCCN3C[C@@H]2C)cc1 ZINC000227353409 524041563 /nfs/dbraw/zinc/04/15/63/524041563.db2.gz ZZZFLUHKZUOURU-HOCLYGCPSA-N 1 1 274.408 2.754 10 0 CFAEMO C[C@@H]1CCCCC[N@H+]1C[C@H](O)COCc1ccccc1 ZINC000070411104 524084206 /nfs/dbraw/zinc/08/42/06/524084206.db2.gz BWVRVRPXQJPVFJ-WBVHZDCISA-N 1 1 277.408 2.829 10 0 CFAEMO C[C@@H]1CCC[N@@H+](Cc2cc(N)cc3c2OCOC3)[C@@H]1C ZINC000050562940 524233329 /nfs/dbraw/zinc/23/33/29/524233329.db2.gz VHUAPINXGHTIGX-VXGBXAGGSA-N 1 1 276.380 2.756 10 0 CFAEMO C[C@H](C[N@H+]1CC[C@@H](O)CC12CCC2)C(F)(F)F ZINC000334965464 524362913 /nfs/dbraw/zinc/36/29/13/524362913.db2.gz CTQFDFJAQVAKKV-NXEZZACHSA-N 1 1 251.292 2.564 10 0 CFAEMO C[C@@H]1CCC[C@H](CC[N@H+]2CCO[C@@H](Cn3cccn3)C2)C1 ZINC000246207917 524371412 /nfs/dbraw/zinc/37/14/12/524371412.db2.gz JVOQJPHVIFVBIS-BRWVUGGUSA-N 1 1 291.439 2.800 10 0 CFAEMO COc1ccccc1CN(C)c1[nH+]cc(N)cc1C ZINC000052813001 524438049 /nfs/dbraw/zinc/43/80/49/524438049.db2.gz HOZHFUAWUGVRPT-UHFFFAOYSA-N 1 1 257.337 2.617 10 0 CFAEMO Cc1cccc(N2CCN(CC[C@@H]([NH3+])C(C)(C)C)CC2)c1 ZINC000054027141 524553608 /nfs/dbraw/zinc/55/36/08/524553608.db2.gz KPJDSXGVCDAGNE-QGZVFWFLSA-N 1 1 289.467 2.881 10 0 CFAEMO Cc1cccc(NC[C@H]2CC[N@@H+](CCOC(C)(C)C)C2)n1 ZINC000195516342 524682700 /nfs/dbraw/zinc/68/27/00/524682700.db2.gz OHTVTHOAPXKFHJ-OAHLLOKOSA-N 1 1 291.439 2.939 10 0 CFAEMO COc1ccccc1[C@H]([NH3+])CN1CCC(C)(C)CC1 ZINC000061819677 524794416 /nfs/dbraw/zinc/79/44/16/524794416.db2.gz VTHODFANTQSTPJ-CQSZACIVSA-N 1 1 262.397 2.817 10 0 CFAEMO C[C@H]([NH3+])c1nc(C2(c3ccccc3)CCCC2)no1 ZINC000062782402 524871677 /nfs/dbraw/zinc/87/16/77/524871677.db2.gz CUWHQSFVZNSEKA-NSHDSACASA-N 1 1 257.337 2.949 10 0 CFAEMO Cc1cccc([C@H](C)[NH2+]C[C@@H](O)CN2CCCCC2)c1C ZINC000151262861 524871947 /nfs/dbraw/zinc/87/19/47/524871947.db2.gz YEPZQZQNJPQSGF-DLBZAZTESA-N 1 1 290.451 2.801 10 0 CFAEMO C[C@@H]1C[N@@H+](CCCOc2ccc3c(c2)OCO3)CCS1 ZINC000171686901 524951858 /nfs/dbraw/zinc/95/18/58/524951858.db2.gz LDGDRJZSVSNXHC-GFCCVEGCSA-N 1 1 295.404 2.622 10 0 CFAEMO C[C@@H]1C[N@@H+](CCOc2cccc(F)c2)CCS1 ZINC000171690933 524957814 /nfs/dbraw/zinc/95/78/14/524957814.db2.gz KTOKJBHBPDJEBA-LLVKDONJSA-N 1 1 255.358 2.642 10 0 CFAEMO COc1ccc([C@@H](CN)[N@@H+](C)[C@@H](C)C(C)C)cc1C ZINC000050596667 525180611 /nfs/dbraw/zinc/18/06/11/525180611.db2.gz UHZHQLNQGVFPGW-DZGCQCFKSA-N 1 1 264.413 2.980 10 0 CFAEMO COc1ccc([C@@H](C[NH3+])N(C)[C@@H](C)C(C)C)cc1C ZINC000050596667 525180620 /nfs/dbraw/zinc/18/06/20/525180620.db2.gz UHZHQLNQGVFPGW-DZGCQCFKSA-N 1 1 264.413 2.980 10 0 CFAEMO Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCS[C@@H](C)C1 ZINC000246130164 525256429 /nfs/dbraw/zinc/25/64/29/525256429.db2.gz MHURXBCUNRLHDD-QWHCGFSZSA-N 1 1 278.421 2.759 10 0 CFAEMO Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCS[C@@H](C)C1 ZINC000246130164 525256439 /nfs/dbraw/zinc/25/64/39/525256439.db2.gz MHURXBCUNRLHDD-QWHCGFSZSA-N 1 1 278.421 2.759 10 0 CFAEMO C[C@@H]1C[C@@H](O)C[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000334824462 525279218 /nfs/dbraw/zinc/27/92/18/525279218.db2.gz BJMCLTBVUCBAIK-TZMCWYRMSA-N 1 1 272.348 2.544 10 0 CFAEMO C[C@]1(c2nc3ccc(Br)cc3[nH]2)CCC[NH2+]C1 ZINC000062869074 525342151 /nfs/dbraw/zinc/34/21/51/525342151.db2.gz NMVKKSPFIILSFS-ZDUSSCGKSA-N 1 1 294.196 2.967 10 0 CFAEMO COc1ccc([C@H](CN)[NH+]2CCCCCC2)cc1C ZINC000050596427 525352153 /nfs/dbraw/zinc/35/21/53/525352153.db2.gz UZLYBFWBFNHZCH-HNNXBMFYSA-N 1 1 262.397 2.879 10 0 CFAEMO C[C@H]([NH2+]Cc1cc(C(N)=O)ccc1F)c1cccc(F)c1 ZINC000049529952 525430167 /nfs/dbraw/zinc/43/01/67/525430167.db2.gz GPPWOJBYPPRZTA-JTQLQIEISA-N 1 1 290.313 2.915 10 0 CFAEMO C[C@@H]1Cc2ccccc2C[N@H+]1C[C@H](O)COC(C)(C)C ZINC000172995311 525527015 /nfs/dbraw/zinc/52/70/15/525527015.db2.gz XMMHETTZGXYVQZ-CJNGLKHVSA-N 1 1 277.408 2.609 10 0 CFAEMO C[C@@H]1[C@@H](C)CCC[N@@H+]1CC(=O)Nc1cc(N)ccc1Cl ZINC000050563229 525638608 /nfs/dbraw/zinc/63/86/08/525638608.db2.gz 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526422068 /nfs/dbraw/zinc/42/20/68/526422068.db2.gz JKONFQOFDFJWDR-CYBMUJFWSA-N 1 1 276.409 2.528 10 0 CFAEMO c1ccc(C[C@@H]2C[NH2+][C@H](c3ccccc3)CN2)cc1 ZINC000062624440 526476679 /nfs/dbraw/zinc/47/66/79/526476679.db2.gz KUFMRVHLOVXEMV-SJORKVTESA-N 1 1 252.361 2.532 10 0 CFAEMO c1ccc(OCCC[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC000061815702 526485034 /nfs/dbraw/zinc/48/50/34/526485034.db2.gz JYENDWWTZRMSCX-OAHLLOKOSA-N 1 1 274.408 2.529 10 0 CFAEMO Cc1oc(CN(C)C2CC2)cc1C[NH2+]CC(C)C ZINC000052445293 526769396 /nfs/dbraw/zinc/76/93/96/526769396.db2.gz BHQOWHKRIRJDEI-UHFFFAOYSA-N 1 1 250.386 2.928 10 0 CFAEMO Cc1oc(C[NH2+]CC(C)C)cc1CN(C)C1CC1 ZINC000052445606 526775449 /nfs/dbraw/zinc/77/54/49/526775449.db2.gz ZGQWBYFZVCDUAU-UHFFFAOYSA-N 1 1 250.386 2.928 10 0 CFAEMO Clc1nccnc1O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000061702216 527012315 /nfs/dbraw/zinc/01/23/15/527012315.db2.gz VQLREHJBHVLJLS-ZDUSSCGKSA-N 1 1 289.766 2.783 10 0 CFAEMO NC(=S)CC[N@@H+](CCCOc1ccccc1)C1CC1 ZINC000061815852 527107883 /nfs/dbraw/zinc/10/78/83/527107883.db2.gz KAYQMBBIAFWYLX-UHFFFAOYSA-N 1 1 278.421 2.596 10 0 CFAEMO NC[C@@]1([NH+]2CCCCC2)CCC[C@H](C(F)(F)F)C1 ZINC000069383192 527222250 /nfs/dbraw/zinc/22/22/50/527222250.db2.gz MWSDPXRVXKJOOJ-NWDGAFQWSA-N 1 1 264.335 2.922 10 0 CFAEMO NCc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)o1 ZINC000052373072 527253004 /nfs/dbraw/zinc/25/30/04/527253004.db2.gz QLQCEYXBLPNARL-CQSZACIVSA-N 1 1 256.349 2.728 10 0 CFAEMO NCc1ccc(C[N@H+]2CC[C@@H](c3ccccc3)C2)o1 ZINC000052373072 527253006 /nfs/dbraw/zinc/25/30/06/527253006.db2.gz QLQCEYXBLPNARL-CQSZACIVSA-N 1 1 256.349 2.728 10 0 CFAEMO [NH3+]Cc1nc(C(=O)Nc2ccc(Cl)cc2)cs1 ZINC000090930047 527265955 /nfs/dbraw/zinc/26/59/55/527265955.db2.gz NJNBOWOYFBDYQS-UHFFFAOYSA-N 1 1 267.741 2.508 10 0 CFAEMO O=C(Cc1cccc2ccccc21)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000195313309 527271864 /nfs/dbraw/zinc/27/18/64/527271864.db2.gz KOVGVARTHFAKNC-QGZVFWFLSA-N 1 1 294.398 2.689 10 0 CFAEMO Cc1nccc(NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)n1 ZINC000360519834 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1 253.415 2.586 10 0 CFAEMO CCCOc1ccc([C@@]2(O)CCC[N@@H+](C)CC2)cc1 ZINC000086833820 179349165 /nfs/dbraw/zinc/34/91/65/179349165.db2.gz PEQNIGSGDXDUKM-MRXNPFEDSA-N 1 1 263.381 2.779 10 0 CFAEMO C[NH2+][C@@H](c1ccc(Br)o1)C1=CCCO1 ZINC000168420409 348048444 /nfs/dbraw/zinc/04/84/44/348048444.db2.gz DNDMQIAPXIKBFU-SNVBAGLBSA-N 1 1 258.115 2.607 10 0 CFAEMO CC(=O)Nc1cccc([C@@H](C)N[C@H]2CCC[N@H+](C)CC2)c1 ZINC000086817408 179344782 /nfs/dbraw/zinc/34/47/82/179344782.db2.gz MWLCTOBQSLGYKP-CJNGLKHVSA-N 1 1 289.423 2.780 10 0 CFAEMO CC(=O)Nc1cccc([C@@H](C)N[C@H]2CCC[N@@H+](C)CC2)c1 ZINC000086817408 179344783 /nfs/dbraw/zinc/34/47/83/179344783.db2.gz MWLCTOBQSLGYKP-CJNGLKHVSA-N 1 1 289.423 2.780 10 0 CFAEMO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H]2CCCN(C)CC2)c1 ZINC000086817408 179344784 /nfs/dbraw/zinc/34/47/84/179344784.db2.gz MWLCTOBQSLGYKP-CJNGLKHVSA-N 1 1 289.423 2.780 10 0 CFAEMO C[C@@H]([NH2+][C@H]1CCCN(C)CC1)c1cccc(F)c1 ZINC000086817390 179345068 /nfs/dbraw/zinc/34/50/68/179345068.db2.gz MAJPOLOTHHIASP-DOMZBBRYSA-N 1 1 250.361 2.961 10 0 CFAEMO C[C@@H](N[C@H]1CCC[N@H+](C)CC1)c1cccc(F)c1 ZINC000086817390 179345070 /nfs/dbraw/zinc/34/50/70/179345070.db2.gz MAJPOLOTHHIASP-DOMZBBRYSA-N 1 1 250.361 2.961 10 0 CFAEMO C[C@@H](N[C@H]1CCC[N@@H+](C)CC1)c1cccc(F)c1 ZINC000086817390 179345071 /nfs/dbraw/zinc/34/50/71/179345071.db2.gz MAJPOLOTHHIASP-DOMZBBRYSA-N 1 1 250.361 2.961 10 0 CFAEMO C[C@@H](Cc1cccs1)[NH2+][C@@H]1CCCN(C)CC1 ZINC000086817891 179345756 /nfs/dbraw/zinc/34/57/56/179345756.db2.gz XWNIXOZQLYUGBC-QWHCGFSZSA-N 1 1 252.427 2.753 10 0 CFAEMO Cc1noc(-c2ccccc2N[C@H]2CCC[N@H+](C)CC2)n1 ZINC000086817636 179345941 /nfs/dbraw/zinc/34/59/41/179345941.db2.gz IYGCRRPBWBXHBN-ZDUSSCGKSA-N 1 1 286.379 2.941 10 0 CFAEMO C[N@H+]1CCC[C@H](Nc2ccccc2Cn2cccn2)CC1 ZINC000086817919 179346105 /nfs/dbraw/zinc/34/61/05/179346105.db2.gz KASFRBYQRVEIDH-INIZCTEOSA-N 1 1 284.407 2.828 10 0 CFAEMO CN1CCC[C@@H]([NH2+]CCSc2ccccc2)CC1 ZINC000086818808 179346422 /nfs/dbraw/zinc/34/64/22/179346422.db2.gz APAXSGWDALWIOL-CQSZACIVSA-N 1 1 264.438 2.853 10 0 CFAEMO Cc1nc(-c2cccc(N[C@@H]3CCC[N@H+](C)CC3)c2)n[nH]1 ZINC000086818755 179347216 /nfs/dbraw/zinc/34/72/16/179347216.db2.gz FISUGNYIEIJNBI-CQSZACIVSA-N 1 1 285.395 2.676 10 0 CFAEMO C[N@H+]1CCC[C@](O)(Cc2ccccc2Br)CC1 ZINC000086833832 179350033 /nfs/dbraw/zinc/35/00/33/179350033.db2.gz WZXCPMUWVGPWED-CQSZACIVSA-N 1 1 298.224 2.838 10 0 CFAEMO CCC[N@H+]1CCC[C@H](NCc2scnc2C)CC1 ZINC000086844871 179355136 /nfs/dbraw/zinc/35/51/36/179355136.db2.gz PPFQRHVCEBIZDR-ZDUSSCGKSA-N 1 1 267.442 2.806 10 0 CFAEMO CC[N@H+]1CCC[C@@](O)(Cc2ccc(F)cc2)CC1 ZINC000086852020 179359943 /nfs/dbraw/zinc/35/99/43/179359943.db2.gz ZNTAUKIUCAPGHZ-HNNXBMFYSA-N 1 1 251.345 2.605 10 0 CFAEMO CC(C)[N@H+]1CCC[C@](CC(=O)[O-])([NH+]2CCCCC2)CC1 ZINC000086868502 179360419 /nfs/dbraw/zinc/36/04/19/179360419.db2.gz XCRYDKGGHIBSEO-INIZCTEOSA-N 1 1 282.428 2.580 10 0 CFAEMO CC(C)(C)OC(=O)CCCC[C@H]([NH3+])C(=O)OC(C)(C)C ZINC000220996807 348170078 /nfs/dbraw/zinc/17/00/78/348170078.db2.gz FJRNQKJNGRCXKQ-NSHDSACASA-N 1 1 287.400 2.558 10 0 CFAEMO CCC[N@H+]1CCC[C@](NC)(c2nc3c(s2)CCC3)CC1 ZINC000086851452 179358962 /nfs/dbraw/zinc/35/89/62/179358962.db2.gz AXDAUWCGALXWMY-MRXNPFEDSA-N 1 1 293.480 2.942 10 0 CFAEMO c1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@]3(COCN3)C2)cc1 ZINC000225862384 348180504 /nfs/dbraw/zinc/18/05/04/348180504.db2.gz ZNQPIOOYYSOXJK-RTBURBONSA-N 1 1 294.398 2.602 10 0 CFAEMO C[C@@H]1OCC[C@@H]1CNc1cc[nH+]cc1Br ZINC000235287770 348225781 /nfs/dbraw/zinc/22/57/81/348225781.db2.gz XFDGRVYVGMDPLT-DTWKUNHWSA-N 1 1 271.158 2.681 10 0 CFAEMO OCC[C@H]1CC[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000227571455 348187622 /nfs/dbraw/zinc/18/76/22/348187622.db2.gz KRHRPYVHKWFYEM-GFCCVEGCSA-N 1 1 290.338 2.685 10 0 CFAEMO COC(=O)c1cccnc1C[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000305961250 348383188 /nfs/dbraw/zinc/38/31/88/348383188.db2.gz OOJKLUNKPBUQJB-NSHDSACASA-N 1 1 264.369 2.735 10 0 CFAEMO C[C@@H]1C[C@@]2(C[N@H+]1Cc1ccccc1)NC[C@@H](C)CS2 ZINC000306281855 348385867 /nfs/dbraw/zinc/38/58/67/348385867.db2.gz YFGLDJKQEJNLGV-IIAWOOMASA-N 1 1 276.449 2.950 10 0 CFAEMO C[C@@H]1C[C@@]2(CN1Cc1ccccc1)[NH2+]C[C@@H](C)CS2 ZINC000306281855 348385869 /nfs/dbraw/zinc/38/58/69/348385869.db2.gz YFGLDJKQEJNLGV-IIAWOOMASA-N 1 1 276.449 2.950 10 0 CFAEMO C[C@H]1[C@H](Nc2ncc(N)s2)CC[N@H+]1Cc1ccccc1 ZINC000306976468 348394548 /nfs/dbraw/zinc/39/45/48/348394548.db2.gz NRKDTLVICNZRCU-WCQYABFASA-N 1 1 288.420 2.800 10 0 CFAEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000393647273 348545662 /nfs/dbraw/zinc/54/56/62/348545662.db2.gz VRXUNJVPKDTAAN-LLLHUVSDSA-N 1 1 286.419 2.669 10 0 CFAEMO COC(=O)[C@@H]1C[N@@H+](C[C@H]2CCCCC2(F)F)C[C@H]1C ZINC000381597423 348527184 /nfs/dbraw/zinc/52/71/84/348527184.db2.gz FSSFGQSAXQUALZ-IJLUTSLNSA-N 1 1 275.339 2.553 10 0 CFAEMO Cn1cc(-c2c[nH]c3[nH+]ccc(N4CCSCC4)c23)cn1 ZINC000584620122 348692197 /nfs/dbraw/zinc/69/21/97/348692197.db2.gz KXGPNBHYOOHENW-UHFFFAOYSA-N 1 1 299.403 2.517 10 0 CFAEMO CCC(=O)N1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000584621127 348692827 /nfs/dbraw/zinc/69/28/27/348692827.db2.gz AHDXHOLBVQQTGO-OKILXGFUSA-N 1 1 260.381 2.518 10 0 CFAEMO C[C@@H]1CC2(CC[NH+](CCCN(C)C)CC2)C[C@@H](C)O1 ZINC000584631614 348696054 /nfs/dbraw/zinc/69/60/54/348696054.db2.gz DBFNBLOPCODDKF-HUUCEWRRSA-N 1 1 268.445 2.608 10 0 CFAEMO CCn1cccc1CNC[C@H](CC(C)C)[NH+](C)C ZINC000091023160 180088774 /nfs/dbraw/zinc/08/87/74/180088774.db2.gz HCGFCQOHXCNEEP-HNNXBMFYSA-N 1 1 251.418 2.574 10 0 CFAEMO COc1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)cc1OC ZINC000091979164 180296867 /nfs/dbraw/zinc/29/68/67/180296867.db2.gz HWBZPRGFRVQGPY-GJZGRUSLSA-N 1 1 291.391 2.847 10 0 CFAEMO COc1ccc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)cc1OC ZINC000091979164 180296869 /nfs/dbraw/zinc/29/68/69/180296869.db2.gz HWBZPRGFRVQGPY-GJZGRUSLSA-N 1 1 291.391 2.847 10 0 CFAEMO CC[C@H](c1ccccc1)[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000105890778 186084121 /nfs/dbraw/zinc/08/41/21/186084121.db2.gz NUOPWFZYWSUINP-DLBZAZTESA-N 1 1 285.391 2.735 10 0 CFAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@H](C)CC)C1 ZINC000105852138 186078862 /nfs/dbraw/zinc/07/88/62/186078862.db2.gz KEYCYUFJDZVXBF-STQMWFEESA-N 1 1 263.385 2.655 10 0 CFAEMO Cc1cnn([C@H]2CCC[N@H+](Cc3nc(C)c(C)o3)C2)c1 ZINC000105901623 186088386 /nfs/dbraw/zinc/08/83/86/186088386.db2.gz FVXPSPJELOMEKP-AWEZNQCLSA-N 1 1 274.368 2.633 10 0 CFAEMO Cc1cnn([C@H]2CCC[N@@H+](Cc3nc(C)c(C)o3)C2)c1 ZINC000105901623 186088387 /nfs/dbraw/zinc/08/83/87/186088387.db2.gz FVXPSPJELOMEKP-AWEZNQCLSA-N 1 1 274.368 2.633 10 0 CFAEMO Cc1ccc(C)c(C[N@H+]2CCC[C@H](Cn3cncn3)C2)c1 ZINC000106176331 186103548 /nfs/dbraw/zinc/10/35/48/186103548.db2.gz QHSLNXFBRPVSIW-INIZCTEOSA-N 1 1 284.407 2.807 10 0 CFAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H](C)CSC)C1 ZINC000108995223 186240281 /nfs/dbraw/zinc/24/02/81/186240281.db2.gz FEKLKQYEGBUERR-CHWSQXEVSA-N 1 1 295.452 2.608 10 0 CFAEMO CC(C)[N@@H+](C)CCNC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109097138 186243529 /nfs/dbraw/zinc/24/35/29/186243529.db2.gz AIRPIXDCMRNLDW-OLZOCXBDSA-N 1 1 296.361 2.525 10 0 CFAEMO Cn1ccc(C[NH2+][C@@H]2CC(C)(C)Oc3ccccc32)n1 ZINC000167549868 282709980 /nfs/dbraw/zinc/70/99/80/282709980.db2.gz RMKUCEHXHNIEAK-CQSZACIVSA-N 1 1 271.364 2.812 10 0 CFAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@H](C)CSC)C1 ZINC000108995225 186239988 /nfs/dbraw/zinc/23/99/88/186239988.db2.gz FEKLKQYEGBUERR-OLZOCXBDSA-N 1 1 295.452 2.608 10 0 CFAEMO CCc1cc(N[C@@H](C)C[N@@H+](C)Cc2ccccc2)ncn1 ZINC000309761385 539806246 /nfs/dbraw/zinc/80/62/46/539806246.db2.gz YDCIGCWXBVIAIM-AWEZNQCLSA-N 1 1 284.407 2.971 10 0 CFAEMO COc1cccc(CCC[N@@H+]2[C@H](C)COC[C@@H]2C)c1 ZINC000121925603 187005168 /nfs/dbraw/zinc/00/51/68/187005168.db2.gz SELLJLBQDDOWII-OKILXGFUSA-N 1 1 263.381 2.737 10 0 CFAEMO Cc1nc(Cl)ccc1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000122132450 187016471 /nfs/dbraw/zinc/01/64/71/187016471.db2.gz WUSZWNAVYNLVLM-GWCFXTLKSA-N 1 1 295.814 2.502 10 0 CFAEMO Nc1ccnc(C[N@H+]2CCC[C@H]2C2CCCCC2)n1 ZINC000122382245 187029952 /nfs/dbraw/zinc/02/99/52/187029952.db2.gz FGQQNOHOEITKEE-ZDUSSCGKSA-N 1 1 260.385 2.604 10 0 CFAEMO Cc1cnn(C[C@H]2C[N@H+](Cc3ccc(C)cc3C)CCO2)c1 ZINC000122435631 187032443 /nfs/dbraw/zinc/03/24/43/187032443.db2.gz SRIRVTKXPXFYLL-GOSISDBHSA-N 1 1 299.418 2.709 10 0 CFAEMO Cc1cnn(C[C@H]2C[N@@H+](Cc3ccc(C)cc3C)CCO2)c1 ZINC000122435631 187032444 /nfs/dbraw/zinc/03/24/44/187032444.db2.gz SRIRVTKXPXFYLL-GOSISDBHSA-N 1 1 299.418 2.709 10 0 CFAEMO CCc1nccn1[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000122834331 187054643 /nfs/dbraw/zinc/05/46/43/187054643.db2.gz INWXHCHJZOTAQJ-CYBMUJFWSA-N 1 1 259.353 2.876 10 0 CFAEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1ccc(OC)cc1OC ZINC000123361701 187087060 /nfs/dbraw/zinc/08/70/60/187087060.db2.gz CQYWWIZFPCZWAR-HNNXBMFYSA-N 1 1 292.423 2.620 10 0 CFAEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1c[nH]nc1-c1ccccc1 ZINC000123389142 187089172 /nfs/dbraw/zinc/08/91/72/187089172.db2.gz MIWFUXJXXOLEFK-KRWDZBQOSA-N 1 1 298.434 2.993 10 0 CFAEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1ccccc1NC(C)=O ZINC000123443413 187092190 /nfs/dbraw/zinc/09/21/90/187092190.db2.gz GMGYIJLCDGXXMA-MRXNPFEDSA-N 1 1 289.423 2.561 10 0 CFAEMO CC[C@](C)(O)C[N@@H+](C)CCCc1ccc(OC)cc1 ZINC000123441982 187092210 /nfs/dbraw/zinc/09/22/10/187092210.db2.gz GHPUEIQTUPGIME-INIZCTEOSA-N 1 1 265.397 2.721 10 0 CFAEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1cnn(C(C)(C)C)c1 ZINC000123454977 187092978 /nfs/dbraw/zinc/09/29/78/187092978.db2.gz XSYZVBXBHASUFU-OAHLLOKOSA-N 1 1 278.444 2.554 10 0 CFAEMO Cc1ccc([C@H](C)NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000171903125 539859754 /nfs/dbraw/zinc/85/97/54/539859754.db2.gz MOSGXUZRCFCHHQ-GOEBONIOSA-N 1 1 287.407 2.546 10 0 CFAEMO c1coc([C@H]2C[N@@H+](Cc3ccccc3)CCCO2)n1 ZINC000616650966 352399482 /nfs/dbraw/zinc/39/94/82/352399482.db2.gz HRGLSUCVKIHZPH-CQSZACIVSA-N 1 1 258.321 2.638 10 0 CFAEMO OCC[N@H+]1CCCC[C@@H](c2cccc(Cl)c2)C1 ZINC000616654000 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CCOc1cccc([C@@H](C)[NH2+]Cc2nnc(C)n2CC)c1 ZINC000180672422 189269091 /nfs/dbraw/zinc/26/90/91/189269091.db2.gz ROINEPAERAZMTG-GFCCVEGCSA-N 1 1 288.395 2.856 10 0 CFAEMO COc1ccc([C@@H](C)NCC[C@@H]2CCC[N@@H+]2C)cc1OC ZINC000180892167 189282403 /nfs/dbraw/zinc/28/24/03/189282403.db2.gz PJRAOTUMQZWAHZ-HIFRSBDPSA-N 1 1 292.423 2.839 10 0 CFAEMO COc1ccc([C@@H](C)NCC[C@@H]2CCC[N@H+]2C)cc1OC ZINC000180892167 189282404 /nfs/dbraw/zinc/28/24/04/189282404.db2.gz PJRAOTUMQZWAHZ-HIFRSBDPSA-N 1 1 292.423 2.839 10 0 CFAEMO CCc1nccn1[C@H]1CCC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC000182759832 189333827 /nfs/dbraw/zinc/33/38/27/189333827.db2.gz RDUGYRRCLFGFDW-KRWDZBQOSA-N 1 1 299.418 2.775 10 0 CFAEMO O[C@@H](CCc1ccccc1)C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000182522772 189326882 /nfs/dbraw/zinc/32/68/82/189326882.db2.gz SCPFVLVGHXTKGM-ZWKOTPCHSA-N 1 1 299.418 2.930 10 0 CFAEMO CCc1nnc(C[NH2+][C@H](C)c2cc(C)cc(C)c2)n1C ZINC000182876232 189337906 /nfs/dbraw/zinc/33/79/06/189337906.db2.gz VFUCUZTWDJGKTC-CYBMUJFWSA-N 1 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CCc1nn(C)c(CC)c1C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000091979499 375073491 /nfs/dbraw/zinc/07/34/91/375073491.db2.gz ANJHSUGTPRHYLY-IRXDYDNUSA-N 1 1 291.439 2.688 10 0 CFAEMO CC1(C)C[N@@H+](Cc2ccccc2)Cc2cc(N)cnc21 ZINC000091368451 375049820 /nfs/dbraw/zinc/04/98/20/375049820.db2.gz HWRYDUARLOUZPE-UHFFFAOYSA-N 1 1 267.376 2.957 10 0 CFAEMO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2sccc2C)C1 ZINC000092708511 375142568 /nfs/dbraw/zinc/14/25/68/375142568.db2.gz IWNIUQNONOMCBM-ZDUSSCGKSA-N 1 1 280.437 2.937 10 0 CFAEMO Cc1ncccc1C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000092812877 375158053 /nfs/dbraw/zinc/15/80/53/375158053.db2.gz VAYHVVYQXIYQAI-OAHLLOKOSA-N 1 1 282.391 2.719 10 0 CFAEMO CCn1cc(C[N@H+]2CC[C@H](CNc3cccc(C)n3)C2)cn1 ZINC000092813089 375160697 /nfs/dbraw/zinc/16/06/97/375160697.db2.gz ABWWDJOWRKVVPD-OAHLLOKOSA-N 1 1 299.422 2.540 10 0 CFAEMO Cc1cc(F)cc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000092930316 375168004 /nfs/dbraw/zinc/16/80/04/375168004.db2.gz GYIBKOQTBKJJBU-SWLSCSKDSA-N 1 1 291.370 2.835 10 0 CFAEMO Cc1ccc(F)c(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000093437270 375235351 /nfs/dbraw/zinc/23/53/51/375235351.db2.gz YMAHIQZUOINYTM-ZFWWWQNUSA-N 1 1 262.372 2.803 10 0 CFAEMO CCOc1cccc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000093437230 375236621 /nfs/dbraw/zinc/23/66/21/375236621.db2.gz MNPWPNKRHNZJSB-HOCLYGCPSA-N 1 1 274.408 2.754 10 0 CFAEMO Cc1n[nH]cc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000093868453 375325127 /nfs/dbraw/zinc/32/51/27/375325127.db2.gz LGNUHBTWJAAWCM-SJORKVTESA-N 1 1 285.391 2.806 10 0 CFAEMO Cc1[nH]ncc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000093868453 375325134 /nfs/dbraw/zinc/32/51/34/375325134.db2.gz LGNUHBTWJAAWCM-SJORKVTESA-N 1 1 285.391 2.806 10 0 CFAEMO Cc1[nH]ncc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000093868453 375325139 /nfs/dbraw/zinc/32/51/39/375325139.db2.gz LGNUHBTWJAAWCM-SJORKVTESA-N 1 1 285.391 2.806 10 0 CFAEMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+]1Cc1ccco1 ZINC000093757264 375304936 /nfs/dbraw/zinc/30/49/36/375304936.db2.gz 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CCn1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC000028245029 171553557 /nfs/dbraw/zinc/55/35/57/171553557.db2.gz DSJGDKCUMXQFHZ-UHFFFAOYSA-N 1 1 295.346 2.649 10 0 CFAEMO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccco1 ZINC000035207026 172051697 /nfs/dbraw/zinc/05/16/97/172051697.db2.gz WWLUVXFFWBSGGP-QWRGUYRKSA-N 1 1 252.358 2.624 10 0 CFAEMO C[C@H]([NH2+][C@]1(C)CCS(=O)(=O)C1)c1ccccc1Cl ZINC000035223131 172067161 /nfs/dbraw/zinc/06/71/61/172067161.db2.gz LJKBWHVPHAIXOG-GXFFZTMASA-N 1 1 287.812 2.568 10 0 CFAEMO Cc1ccoc1[C@@H]([NH3+])c1cnn(-c2ccccc2)c1 ZINC000035381937 172164167 /nfs/dbraw/zinc/16/41/67/172164167.db2.gz WNTGZHFLHAVABT-AWEZNQCLSA-N 1 1 253.305 2.822 10 0 CFAEMO C[NH2+][C@@H](c1cnn(C)c1)c1c(F)cccc1Cl ZINC000035500373 172234355 /nfs/dbraw/zinc/23/43/55/172234355.db2.gz HRIWLUZEYRFRBA-LBPRGKRZSA-N 1 1 253.708 2.521 10 0 CFAEMO CC[NH2+][C@@H](c1ccco1)c1cc(OC)ccc1OC ZINC000035541385 172249012 /nfs/dbraw/zinc/24/90/12/172249012.db2.gz DFDKGTIXXBCHAM-OAHLLOKOSA-N 1 1 261.321 2.996 10 0 CFAEMO CCCc1nccnc1NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000664138915 413587781 /nfs/dbraw/zinc/58/77/81/413587781.db2.gz MBMTZPJLRQBHOR-LBPRGKRZSA-N 1 1 262.401 2.714 10 0 CFAEMO CCOc1ccccc1[C@@H](N)C[N@@H+](C)[C@H](C)CC ZINC000037110030 172962221 /nfs/dbraw/zinc/96/22/21/172962221.db2.gz LZNIMMBFZFDNOI-OCCSQVGLSA-N 1 1 250.386 2.815 10 0 CFAEMO CC[C@@H](C)[N@@H+](CC)C[C@H](N)c1cccc(OC)c1 ZINC000037113019 172964851 /nfs/dbraw/zinc/96/48/51/172964851.db2.gz NEBJMTWFXBVGQY-DOMZBBRYSA-N 1 1 250.386 2.815 10 0 CFAEMO C[N@H+]([C@@H](CN)c1cccc(Cl)c1)[C@@H]1CCSC1 ZINC000037174504 173008265 /nfs/dbraw/zinc/00/82/65/173008265.db2.gz CFDVRVMJVGXYBL-OLZOCXBDSA-N 1 1 270.829 2.777 10 0 CFAEMO C[N@@H+]([C@@H](CN)c1cccc(Cl)c1)[C@@H]1CCSC1 ZINC000037174504 173008267 /nfs/dbraw/zinc/00/82/67/173008267.db2.gz CFDVRVMJVGXYBL-OLZOCXBDSA-N 1 1 270.829 2.777 10 0 CFAEMO C[C@H]([NH2+]CC(N)=O)c1ccc(Cl)c(Cl)c1Cl ZINC000037183921 173015747 /nfs/dbraw/zinc/01/57/47/173015747.db2.gz AAKFTLMFZBBVEJ-YFKPBYRVSA-N 1 1 281.570 2.783 10 0 CFAEMO CC[N@H+]1CCC[C@@H]([C@@H](C)Nc2ccc(OC)nc2)C1 ZINC000037208583 173030130 /nfs/dbraw/zinc/03/01/30/173030130.db2.gz XSWGIAPCUQGUQO-CHWSQXEVSA-N 1 1 263.385 2.623 10 0 CFAEMO CC[N@@H+](CC(=O)Nc1cc(N)ccc1Cl)C(C)C ZINC000037273207 173085179 /nfs/dbraw/zinc/08/51/79/173085179.db2.gz NXLWGRDXSCGVOF-UHFFFAOYSA-N 1 1 269.776 2.591 10 0 CFAEMO CC[C@H](C)[C@H]([NH3+])c1nc(Cc2ccc(F)cc2)no1 ZINC000037330925 173132009 /nfs/dbraw/zinc/13/20/09/173132009.db2.gz ZAGMVMNCWXPHHM-ZANVPECISA-N 1 1 263.316 2.845 10 0 CFAEMO C[C@@H](C1CC1)[N@H+](C)CC(=O)c1c(F)cccc1F ZINC000037338722 173140815 /nfs/dbraw/zinc/14/08/15/173140815.db2.gz KIPCICZILQQIKE-VIFPVBQESA-N 1 1 253.292 2.878 10 0 CFAEMO C[C@@H](C1CC1)[N@@H+](C)CC(=O)c1c(F)cccc1F ZINC000037338722 173140818 /nfs/dbraw/zinc/14/08/18/173140818.db2.gz KIPCICZILQQIKE-VIFPVBQESA-N 1 1 253.292 2.878 10 0 CFAEMO CC[C@H](C)C[N@@H+](C)[C@@H](CN)c1ccc2c(c1)CCO2 ZINC000037363806 173153264 /nfs/dbraw/zinc/15/32/64/173153264.db2.gz RHEVQHLZDTYPRD-WFASDCNBSA-N 1 1 262.397 2.599 10 0 CFAEMO CC[C@H](C)CN(C)[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037363806 173153266 /nfs/dbraw/zinc/15/32/66/173153266.db2.gz RHEVQHLZDTYPRD-WFASDCNBSA-N 1 1 262.397 2.599 10 0 CFAEMO C[N@@H+](C1CCCC1)[C@@]1(CN)CCc2ccccc2C1 ZINC000037515727 173247280 /nfs/dbraw/zinc/24/72/80/173247280.db2.gz OQKAEJSZVNOUBZ-KRWDZBQOSA-N 1 1 258.409 2.747 10 0 CFAEMO COC1CC[NH+](CC(=O)c2cc(C)ccc2C)CC1 ZINC000037652193 173603241 /nfs/dbraw/zinc/60/32/41/173603241.db2.gz YWBUUPGKNCZHMP-UHFFFAOYSA-N 1 1 261.365 2.597 10 0 CFAEMO Cc1nccc(C[NH2+]Cc2ccc3ccccc3n2)n1 ZINC000038038078 174038511 /nfs/dbraw/zinc/03/85/11/174038511.db2.gz YQUOPSYJEOUKLK-UHFFFAOYSA-N 1 1 264.332 2.623 10 0 CFAEMO CC[C@H](C)[NH2+][C@H](C(N)=O)c1cccc(Cl)c1Cl ZINC000038064793 174075496 /nfs/dbraw/zinc/07/54/96/174075496.db2.gz PYCLCAFBWRLGIG-CPCISQLKSA-N 1 1 275.179 2.908 10 0 CFAEMO C[C@@H](c1cccc(Cl)c1)N(C)C(=O)[C@@H]1CSC[NH2+]1 ZINC000038101355 174117178 /nfs/dbraw/zinc/11/71/78/174117178.db2.gz DLCKIZXQQCLSJG-CABZTGNLSA-N 1 1 284.812 2.522 10 0 CFAEMO CCCN(CCC)[C@H](C[NH3+])c1ccc(OC)c(OC)c1 ZINC000038808994 174156701 /nfs/dbraw/zinc/15/67/01/174156701.db2.gz QWTWKJBJGJMSPP-CQSZACIVSA-N 1 1 280.412 2.826 10 0 CFAEMO COc1ccc([C@@H](CN)[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000039789074 174173080 /nfs/dbraw/zinc/17/30/80/174173080.db2.gz FQFQEZHWJABZNH-DVOMOZLQSA-N 1 1 262.397 2.958 10 0 CFAEMO COc1ccc([C@@H](CN)[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000039789074 174173081 /nfs/dbraw/zinc/17/30/81/174173081.db2.gz FQFQEZHWJABZNH-DVOMOZLQSA-N 1 1 262.397 2.958 10 0 CFAEMO CC(=O)c1cc(F)ccc1OCC[C@@H]1CCC[N@@H+]1C ZINC000040240618 174213555 /nfs/dbraw/zinc/21/35/55/174213555.db2.gz RTHKQYZBPWXQRI-ZDUSSCGKSA-N 1 1 265.328 2.891 10 0 CFAEMO C[C@H](c1ccccc1)[C@@H](CN)[N@H+](C)[C@@H]1CCSC1 ZINC000040240805 174213858 /nfs/dbraw/zinc/21/38/58/174213858.db2.gz BBAPATYKKBUBKX-BPLDGKMQSA-N 1 1 264.438 2.555 10 0 CFAEMO C[C@H](c1ccccc1)[C@@H](CN)[N@@H+](C)[C@@H]1CCSC1 ZINC000040240805 174213860 /nfs/dbraw/zinc/21/38/60/174213860.db2.gz BBAPATYKKBUBKX-BPLDGKMQSA-N 1 1 264.438 2.555 10 0 CFAEMO CCn1c2ccccc2nc1CN[C@@H]1CCC[N@H+](CC)C1 ZINC000040503013 174299759 /nfs/dbraw/zinc/29/97/59/174299759.db2.gz KIGJGLXFTKCMNI-CQSZACIVSA-N 1 1 286.423 2.630 10 0 CFAEMO CCn1c2ccccc2nc1CN[C@@H]1CCC[N@@H+](CC)C1 ZINC000040503013 174299761 /nfs/dbraw/zinc/29/97/61/174299761.db2.gz KIGJGLXFTKCMNI-CQSZACIVSA-N 1 1 286.423 2.630 10 0 CFAEMO CCCN(CCC)c1[nH+]c(C)cc(C)c1C(N)=S ZINC000040509981 174303966 /nfs/dbraw/zinc/30/39/66/174303966.db2.gz IFRKFQUERVSNGM-UHFFFAOYSA-N 1 1 265.426 2.959 10 0 CFAEMO CC[NH+](CC)CCNCc1cc2c(s1)CCC2 ZINC000040627372 174356975 /nfs/dbraw/zinc/35/69/75/174356975.db2.gz RGGUOFPIZLWYJH-UHFFFAOYSA-N 1 1 252.427 2.668 10 0 CFAEMO CCOC1CCN([C@@H]2CCc3ccccc3[C@@H]2[NH3+])CC1 ZINC000040689222 174375625 /nfs/dbraw/zinc/37/56/25/174375625.db2.gz DWKKUPHMNWGQRN-SJORKVTESA-N 1 1 274.408 2.502 10 0 CFAEMO 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2.829 10 0 CFAEMO CCN[C@@H](C[N@H+](C)CC(C)C)c1ccccc1OC ZINC000043886779 175117431 /nfs/dbraw/zinc/11/74/31/175117431.db2.gz IGYLJKIDOKQWJM-HNNXBMFYSA-N 1 1 264.413 2.934 10 0 CFAEMO CCN[C@@H](C[N@@H+](C)CC(C)C)c1ccccc1OC ZINC000043886779 175117432 /nfs/dbraw/zinc/11/74/32/175117432.db2.gz IGYLJKIDOKQWJM-HNNXBMFYSA-N 1 1 264.413 2.934 10 0 CFAEMO CN[C@@H]1c2ccccc2CCC[C@H]1[NH+]1CCC(OC)CC1 ZINC000043889872 175117859 /nfs/dbraw/zinc/11/78/59/175117859.db2.gz OVLFOUDLKZJEIB-QZTJIDSGSA-N 1 1 288.435 2.763 10 0 CFAEMO CCC(CC)[N@@H+](C)C[C@@H](NC)c1ccc2c(c1)OCO2 ZINC000043895848 175119166 /nfs/dbraw/zinc/11/91/66/175119166.db2.gz GPRWFMMGWHEKQQ-CQSZACIVSA-N 1 1 278.396 2.796 10 0 CFAEMO CCC(CC)N(C)C[C@@H]([NH2+]C)c1ccc2c(c1)OCO2 ZINC000043895848 175119167 /nfs/dbraw/zinc/11/91/67/175119167.db2.gz GPRWFMMGWHEKQQ-CQSZACIVSA-N 1 1 278.396 2.796 10 0 CFAEMO CN[C@@H](C[N@H+](C)[C@@H](C)C1CC1)c1ccc(OC)c(OC)c1 ZINC000043894782 175119252 /nfs/dbraw/zinc/11/92/52/175119252.db2.gz 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CCOc1ccccc1[C@@H](O)C[N@H+]1CCCC[C@@H]1C ZINC000044116314 175141927 /nfs/dbraw/zinc/14/19/27/175141927.db2.gz RYUJPXOXMBQWAH-ZFWWWQNUSA-N 1 1 263.381 2.993 10 0 CFAEMO C[N@@H+](C1CCCCC1)[C@H]1COc2ccccc2[C@@H]1O ZINC000044120644 175142793 /nfs/dbraw/zinc/14/27/93/175142793.db2.gz LQNOOLPTJIXQCR-HOCLYGCPSA-N 1 1 261.365 2.746 10 0 CFAEMO CCC[N@@H+](C)C[C@@H](O)c1ccc(OC(C)C)cc1 ZINC000044127583 175144023 /nfs/dbraw/zinc/14/40/23/175144023.db2.gz VMBZQNLWHDZWDH-OAHLLOKOSA-N 1 1 251.370 2.849 10 0 CFAEMO CC[N@@H+](CC(C)C)C[C@@H](O)c1ccc(OC)cc1OC ZINC000044126717 175144039 /nfs/dbraw/zinc/14/40/39/175144039.db2.gz ZBHTUSJMPNVZDC-OAHLLOKOSA-N 1 1 281.396 2.715 10 0 CFAEMO CCC[N@@H+](C[C@H](O)c1cccc(OC)c1)C(C)C ZINC000044127350 175144054 /nfs/dbraw/zinc/14/40/54/175144054.db2.gz XVIGVILVDKLTCH-HNNXBMFYSA-N 1 1 251.370 2.849 10 0 CFAEMO CC(C)[C@@H]([C@H](O)c1ccccc1)N1CCC([NH+](C)C)CC1 ZINC000044132971 175144560 /nfs/dbraw/zinc/14/45/60/175144560.db2.gz MJMNRBZGQLJEHH-ZWKOTPCHSA-N 1 1 290.451 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253.386 2.554 10 0 CFAEMO C[C@@H]1C[N@H+](C[C@](C)(O)c2ccccc2)C[C@H](C)S1 ZINC000070384749 625309352 /nfs/dbraw/zinc/30/93/52/625309352.db2.gz FYGGGUNBNQGUES-GUTXKFCHSA-N 1 1 265.422 2.720 10 0 CFAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1CCOC1CCCCC1 ZINC000094449837 619122377 /nfs/dbraw/zinc/12/23/77/619122377.db2.gz ASNXFQQJVUUATR-LSDHHAIUSA-N 1 1 266.429 2.504 10 0 CFAEMO c1cc(CNC2[C@@H]3C[C@H]2C[N@H+](Cc2ccccc2)C3)co1 ZINC000399635137 619147746 /nfs/dbraw/zinc/14/77/46/619147746.db2.gz WCSWYLPUXCYJGS-JWTNVVGKSA-N 1 1 282.387 2.890 10 0 CFAEMO c1cc(C[NH2+]C2[C@@H]3C[C@H]2CN(Cc2ccccc2)C3)co1 ZINC000399635137 619147747 /nfs/dbraw/zinc/14/77/47/619147747.db2.gz WCSWYLPUXCYJGS-JWTNVVGKSA-N 1 1 282.387 2.890 10 0 CFAEMO CC[N@@H+](CC(=O)[O-])C1CC([NH2+][C@H](C)[C@@H]2CCCC[C@@H]2C)C1 ZINC000263536939 620155985 /nfs/dbraw/zinc/15/59/85/620155985.db2.gz ZVMNQLJKNBDUNQ-AOTHYSKPSA-N 1 1 296.455 2.728 10 0 CFAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](Nc2cccc(Cl)n2)C1 ZINC000193474388 620423290 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ZINC000062968179 623308960 /nfs/dbraw/zinc/30/89/60/623308960.db2.gz VMDNHKFCKHWHMD-MSOLQXFVSA-N 1 1 284.403 2.509 10 0 CFAEMO CCCCC[C@H](C)CC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000173098250 623334283 /nfs/dbraw/zinc/33/42/83/623334283.db2.gz PSHDTFDQGFTQIZ-LSDHHAIUSA-N 1 1 266.429 2.900 10 0 CFAEMO OCCCCCCC[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000173541422 623353837 /nfs/dbraw/zinc/35/38/37/623353837.db2.gz JACBLKREJSMWQN-GJZGRUSLSA-N 1 1 255.402 2.573 10 0 CFAEMO CCN1CC[NH+](C[C@H](O)c2ccc3ccccc3c2)CC1 ZINC000042244419 649996636 /nfs/dbraw/zinc/99/66/36/649996636.db2.gz RZMGCRYFGWUWCU-SFHVURJKSA-N 1 1 284.403 2.511 10 0 CFAEMO CC/C=C(/C)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000119382790 637615203 /nfs/dbraw/zinc/61/52/03/637615203.db2.gz QUMJPPPNGFOJHI-SVSAJMPUSA-N 1 1 252.402 2.579 10 0 CFAEMO CCCC[N@H+]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000076008068 650360293 /nfs/dbraw/zinc/36/02/93/650360293.db2.gz OZAHIGBBAYGQFP-GFCCVEGCSA-N 1 1 256.390 2.776 10 0 CFAEMO O[C@H](C[C@H]1CCC[N@H+]1Cc1ncccn1)c1ccccc1 ZINC000192049760 650536936 /nfs/dbraw/zinc/53/69/36/650536936.db2.gz HDMVYLFDMZJETG-HZPDHXFCSA-N 1 1 283.375 2.565 10 0 CFAEMO CC(C)c1nnc(C[NH+]2CCCCCCC2)n1C ZINC000195011686 650735264 /nfs/dbraw/zinc/73/52/64/650735264.db2.gz RDCLWDATERJDIM-UHFFFAOYSA-N 1 1 250.390 2.705 10 0 CFAEMO C[C@H]1CC[C@H](C(=O)OCCC[N@@H+](C)Cc2ccccc2)O1 ZINC000126361760 643181048 /nfs/dbraw/zinc/18/10/48/643181048.db2.gz DMRQFGQVAAFPQE-GOEBONIOSA-N 1 1 291.391 2.619 10 0 CFAEMO CCCCC[C@H](C)CC(=O)N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000246870977 650886253 /nfs/dbraw/zinc/88/62/53/650886253.db2.gz OANMFBMAMFOPLH-HOTGVXAUSA-N 1 1 298.471 2.772 10 0 CFAEMO CCCCC[C@H](C)CC(=O)N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000246870977 650886259 /nfs/dbraw/zinc/88/62/59/650886259.db2.gz OANMFBMAMFOPLH-HOTGVXAUSA-N 1 1 298.471 2.772 10 0 CFAEMO Cc1cc(C)cc([C@H](O)C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000247251881 650901294 /nfs/dbraw/zinc/90/12/94/650901294.db2.gz 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254.377 2.861 10 0 CFAEMO CN(CCc1ccccc1)[C@@H](C[NH3+])c1ccccc1 ZINC000020225410 171088638 /nfs/dbraw/zinc/08/86/38/171088638.db2.gz PTTIZYTVEYZZDO-KRWDZBQOSA-N 1 1 254.377 2.861 10 0 CFAEMO C[N@H+](CC1CC1)[C@@H](CN)c1ccc(Br)cc1 ZINC000020226526 171091288 /nfs/dbraw/zinc/09/12/88/171091288.db2.gz MUDCYRXIYGKOAN-ZDUSSCGKSA-N 1 1 283.213 2.791 10 0 CFAEMO C[N@@H+](CC1CC1)[C@@H](CN)c1ccc(Br)cc1 ZINC000020226526 171091290 /nfs/dbraw/zinc/09/12/90/171091290.db2.gz MUDCYRXIYGKOAN-ZDUSSCGKSA-N 1 1 283.213 2.791 10 0 CFAEMO CC[N@@H+]1CCC[C@@H]1CNCc1ccc2ccccc2n1 ZINC000020246316 171099084 /nfs/dbraw/zinc/09/90/84/171099084.db2.gz MTLGFJZXYPLRLZ-MRXNPFEDSA-N 1 1 269.392 2.809 10 0 CFAEMO CC[N@H+]1CCC[C@@H]1CNCc1ccc2ccccc2n1 ZINC000020246316 171099087 /nfs/dbraw/zinc/09/90/87/171099087.db2.gz MTLGFJZXYPLRLZ-MRXNPFEDSA-N 1 1 269.392 2.809 10 0 CFAEMO Cc1noc(C)c1C[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000020253240 171105546 /nfs/dbraw/zinc/10/55/46/171105546.db2.gz MZWBXHGNOWGOFM-MRXNPFEDSA-N 1 1 273.380 2.684 10 0 CFAEMO Cc1cc(OC[C@@H](CC[NH3+])N(C)C)cc(C)c1Cl ZINC000020401687 171182109 /nfs/dbraw/zinc/18/21/09/171182109.db2.gz YVBDDIZOMAUGQS-GFCCVEGCSA-N 1 1 270.804 2.615 10 0 CFAEMO Fc1c(F)c(F)c(N[C@@H]2C[NH+]3CCC2CC3)c(F)c1F ZINC000021812865 171330130 /nfs/dbraw/zinc/33/01/30/171330130.db2.gz KKJWQULNRNBVLO-SSDOTTSWSA-N 1 1 292.251 2.888 10 0 CFAEMO Cc1c(N)cccc1NC(=O)CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022169324 171367183 /nfs/dbraw/zinc/36/71/83/171367183.db2.gz FBRUUFOHDAUNAN-BETUJISGSA-N 1 1 289.423 2.884 10 0 CFAEMO Cc1[nH+]ccn1CC(=O)Nc1c(Cl)cc(N)cc1Cl ZINC000022174285 171369222 /nfs/dbraw/zinc/36/92/22/171369222.db2.gz HXNFFEDDSLSRRO-UHFFFAOYSA-N 1 1 299.161 2.719 10 0 CFAEMO C[C@@H]1C[C@H](C)C[N@H+](CCC(=O)Nc2ccc(F)c(N)c2)C1 ZINC000022176070 171370395 /nfs/dbraw/zinc/37/03/95/171370395.db2.gz KZTWEEMQKRVJDQ-TXEJJXNPSA-N 1 1 293.386 2.714 10 0 CFAEMO COc1cccc([C@H](CN)[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000022216362 171375690 /nfs/dbraw/zinc/37/56/90/171375690.db2.gz HFGAEKBLCBOJGA-ZENOOKHLSA-N 1 1 262.397 2.673 10 0 CFAEMO COc1cccc([C@H](CN)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000022216362 171375692 /nfs/dbraw/zinc/37/56/92/171375692.db2.gz HFGAEKBLCBOJGA-ZENOOKHLSA-N 1 1 262.397 2.673 10 0 CFAEMO Cc1c(N)cccc1NC(=O)CCC[N@H+](C)C(C)C ZINC000022218659 171376999 /nfs/dbraw/zinc/37/69/99/171376999.db2.gz MGBWIQLLUSRGRR-UHFFFAOYSA-N 1 1 263.385 2.636 10 0 CFAEMO C[C@@H]1CCCC[N@@H+]1C[C@@H](N)c1ccc(F)cc1F ZINC000022567141 171392355 /nfs/dbraw/zinc/39/23/55/171392355.db2.gz FGYBEDVFZAABNS-QMTHXVAHSA-N 1 1 254.324 2.839 10 0 CFAEMO C[C@@H]1CCCC[N@H+]1C[C@@H](N)c1ccc(F)cc1F ZINC000022567141 171392357 /nfs/dbraw/zinc/39/23/57/171392357.db2.gz FGYBEDVFZAABNS-QMTHXVAHSA-N 1 1 254.324 2.839 10 0 CFAEMO CCC[NH+]1CCN([C@@H](C)C(=O)c2ccc(C)cc2)CC1 ZINC000035037026 171943343 /nfs/dbraw/zinc/94/33/43/171943343.db2.gz VDHCXRMAHYGMLK-HNNXBMFYSA-N 1 1 274.408 2.594 10 0 CFAEMO CN(CCC[NH2+]C[C@H]1CCCCO1)Cc1ccccc1 ZINC000035151475 172014383 /nfs/dbraw/zinc/01/43/83/172014383.db2.gz AYJYDSUCQUIXHX-QGZVFWFLSA-N 1 1 276.424 2.667 10 0 CFAEMO C[C@H]([NH2+][C@@]1(C)CCS(=O)(=O)C1)c1ccccc1Cl ZINC000035223133 172066865 /nfs/dbraw/zinc/06/68/65/172066865.db2.gz LJKBWHVPHAIXOG-GWCFXTLKSA-N 1 1 287.812 2.568 10 0 CFAEMO O[C@@H]1CCC[C@H](C[N@H+]2CCC[C@@H](OC3CCC3)C2)C1 ZINC000660923211 413664021 /nfs/dbraw/zinc/66/40/21/413664021.db2.gz CKBDINOPIDDUGE-SQWLQELKSA-N 1 1 267.413 2.571 10 0 CFAEMO C[N@H+]1CCCC[C@H]1CCSc1ccncc1N ZINC000037182700 173014940 /nfs/dbraw/zinc/01/49/40/173014940.db2.gz DDAOEYNGYHOYJR-NSHDSACASA-N 1 1 251.399 2.630 10 0 CFAEMO C[C@@H]([NH2+]CC(N)=O)c1ccc(Cl)c(Cl)c1Cl ZINC000037183922 173016413 /nfs/dbraw/zinc/01/64/13/173016413.db2.gz AAKFTLMFZBBVEJ-RXMQYKEDSA-N 1 1 281.570 2.783 10 0 CFAEMO C[C@@H](C(=O)c1ccc(Br)cc1)[NH+](C)C ZINC000037333551 173134610 /nfs/dbraw/zinc/13/46/10/173134610.db2.gz WXJGXKHSPNHQAH-QMMMGPOBSA-N 1 1 256.143 2.582 10 0 CFAEMO CC[N@@H+](CC(=O)c1cc(F)ccc1O)CC(C)C ZINC000037336321 173136892 /nfs/dbraw/zinc/13/68/92/173136892.db2.gz LCKLRVONDDOZMP-UHFFFAOYSA-N 1 1 253.317 2.692 10 0 CFAEMO CC[N@H+](CC(=O)c1cc(F)ccc1O)CC(C)C ZINC000037336321 173136893 /nfs/dbraw/zinc/13/68/93/173136893.db2.gz LCKLRVONDDOZMP-UHFFFAOYSA-N 1 1 253.317 2.692 10 0 CFAEMO CC[C@H](C)[N@H+](C)CC(=O)c1ccc(OC)c(F)c1 ZINC000037336094 173137034 /nfs/dbraw/zinc/13/70/34/173137034.db2.gz HHIHXLYOOLDQQA-JTQLQIEISA-N 1 1 253.317 2.747 10 0 CFAEMO CC[C@H](C)[N@@H+](C)CC(=O)c1ccc(OC)c(F)c1 ZINC000037336094 173137035 /nfs/dbraw/zinc/13/70/35/173137035.db2.gz HHIHXLYOOLDQQA-JTQLQIEISA-N 1 1 253.317 2.747 10 0 CFAEMO CCc1ccc(C(=O)C[NH+]2CCC(OC)CC2)cc1 ZINC000037337267 173138791 /nfs/dbraw/zinc/13/87/91/173138791.db2.gz RTWNYCQELVTKJA-UHFFFAOYSA-N 1 1 261.365 2.543 10 0 CFAEMO COc1ccc(C(=O)C[N@@H+](C)[C@H](C)C(C)C)cc1F ZINC000037339053 173140547 /nfs/dbraw/zinc/14/05/47/173140547.db2.gz KAIRHKJTTVXEBT-LLVKDONJSA-N 1 1 267.344 2.993 10 0 CFAEMO Nc1ccc(Cl)c(C[N@H+]2CCCC[C@H]2CCO)c1 ZINC000037403041 173179398 /nfs/dbraw/zinc/17/93/98/173179398.db2.gz YWYZDMXOLSRVSV-ZDUSSCGKSA-N 1 1 268.788 2.659 10 0 CFAEMO CC[NH2+][C@@]1(C(=O)OCC)C[C@H](C)CC[C@@H]1C(C)C ZINC000037447138 173214137 /nfs/dbraw/zinc/21/41/37/173214137.db2.gz XLQPHNDQLBZMGG-NFAWXSAZSA-N 1 1 255.402 2.990 10 0 CFAEMO COC(C[NH2+][C@@H](C)c1ccccc1Br)OC ZINC000037473028 173228184 /nfs/dbraw/zinc/22/81/84/173228184.db2.gz DSGCPTUNIIPCTC-VIFPVBQESA-N 1 1 288.185 2.719 10 0 CFAEMO O[C@H](COCc1ccccc1)C[N@H+]1CCC[C@H](CCF)C1 ZINC000661691730 414134336 /nfs/dbraw/zinc/13/43/36/414134336.db2.gz ALJCCYUZSQNELY-WBVHZDCISA-N 1 1 295.398 2.636 10 0 CFAEMO C[C@H](CN[C@@H]1CCc2c1cccc2O)[NH+]1CCCCC1 ZINC000038028907 174017955 /nfs/dbraw/zinc/01/79/55/174017955.db2.gz MQMKLKYXZNXGMI-CZUORRHYSA-N 1 1 274.408 2.844 10 0 CFAEMO Nc1cccc2c1CC[N@@H+](CCOc1ccccc1)C2 ZINC000038032822 174029813 /nfs/dbraw/zinc/02/98/13/174029813.db2.gz GRSIKCUGGFOKBE-UHFFFAOYSA-N 1 1 268.360 2.706 10 0 CFAEMO COc1ccc(C[N@@H+]2CCc3c(N)cccc3C2)cc1F ZINC000038032812 174029925 /nfs/dbraw/zinc/02/99/25/174029925.db2.gz BKPJPTDZEPICRN-UHFFFAOYSA-N 1 1 286.350 2.975 10 0 CFAEMO COc1ccc(C[N@H+]2CCc3c(N)cccc3C2)cc1F ZINC000038032812 174029926 /nfs/dbraw/zinc/02/99/26/174029926.db2.gz BKPJPTDZEPICRN-UHFFFAOYSA-N 1 1 286.350 2.975 10 0 CFAEMO CC[C@H](C)[NH2+][C@H](C(N)=O)c1c(Cl)cccc1Cl ZINC000038064997 174075445 /nfs/dbraw/zinc/07/54/45/174075445.db2.gz VFKLJXDHEASYQC-CPCISQLKSA-N 1 1 275.179 2.908 10 0 CFAEMO CC[C@@H](C)[NH2+][C@@](C)(CCc1ccccc1)C(=O)OC ZINC000038067102 174078666 /nfs/dbraw/zinc/07/86/66/174078666.db2.gz GTIPNQWYWBAMJE-CJNGLKHVSA-N 1 1 263.381 2.939 10 0 CFAEMO CCOC(=O)[C@](C)(CC(C)(C)OC)[NH2+][C@@H](C)CC ZINC000038067525 174079199 /nfs/dbraw/zinc/07/91/99/174079199.db2.gz XTWBGAPZJXVIAU-FZMZJTMJSA-N 1 1 259.390 2.511 10 0 CFAEMO Cc1cccc2c1OCCC[C@H]2NC[C@@H](C)[NH+](C)C ZINC000038087426 174099498 /nfs/dbraw/zinc/09/94/98/174099498.db2.gz MHSLLUOKMIKBIY-UKRRQHHQSA-N 1 1 262.397 2.748 10 0 CFAEMO Cc1cccc2c1OCCC[C@@H]2NC[C@H](C)[NH+](C)C ZINC000038087427 174099767 /nfs/dbraw/zinc/09/97/67/174099767.db2.gz MHSLLUOKMIKBIY-ZFWWWQNUSA-N 1 1 262.397 2.748 10 0 CFAEMO CCOC(=O)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000039214360 174166077 /nfs/dbraw/zinc/16/60/77/174166077.db2.gz WKUJMUCPIGZBDS-OAHLLOKOSA-N 1 1 261.365 2.852 10 0 CFAEMO O[C@@H](Cc1[nH]cc[nH+]1)c1cc(Cl)ccc1Cl ZINC000040261462 174217096 /nfs/dbraw/zinc/21/70/96/174217096.db2.gz XMEIJCRFIZHDGN-JTQLQIEISA-N 1 1 257.120 2.993 10 0 CFAEMO O[C@@H](Cc1[nH]cc[nH+]1)c1ccc(F)cc1Br ZINC000040261500 174217249 /nfs/dbraw/zinc/21/72/49/174217249.db2.gz ZOOGZVHJMXNUND-JTQLQIEISA-N 1 1 285.116 2.587 10 0 CFAEMO CC[N@@H+]1CCC[C@H](N[C@@H](C)c2cc(OC)ccc2OC)C1 ZINC000040502249 174298930 /nfs/dbraw/zinc/29/89/30/174298930.db2.gz LNVTTXUGEJXVHY-KBPBESRZSA-N 1 1 292.423 2.839 10 0 CFAEMO CC[N@H+]1CCC[C@H](N[C@@H](C)c2cc(OC)ccc2OC)C1 ZINC000040502249 174298931 /nfs/dbraw/zinc/29/89/31/174298931.db2.gz LNVTTXUGEJXVHY-KBPBESRZSA-N 1 1 292.423 2.839 10 0 CFAEMO CC[N@H+]1CCC[C@@H](Nc2ccc(C(F)(F)F)cn2)C1 ZINC000040503240 174299569 /nfs/dbraw/zinc/29/95/69/174299569.db2.gz ALXXASLLHIGREK-LLVKDONJSA-N 1 1 273.302 2.997 10 0 CFAEMO Cc1cc(C)c(C(N)=S)c(N2CCCCCC2)[nH+]1 ZINC000040509963 174304126 /nfs/dbraw/zinc/30/41/26/174304126.db2.gz LNSZNYIKZDZNBD-UHFFFAOYSA-N 1 1 263.410 2.713 10 0 CFAEMO Cc1nc(C)c([C@@H](C)[NH2+]Cc2ncc(Cl)n2C)s1 ZINC000040518764 174308826 /nfs/dbraw/zinc/30/88/26/174308826.db2.gz ILAUEZCMUSGYQY-SSDOTTSWSA-N 1 1 284.816 2.998 10 0 CFAEMO Cc1nc2sccn2c1CNC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000040622949 174355990 /nfs/dbraw/zinc/35/59/90/174355990.db2.gz CIKXYEPGIDNCRB-ZDUSSCGKSA-N 1 1 292.452 2.524 10 0 CFAEMO CCN1CC[NH+](Cc2cc3ccccc3cc2N)CC1 ZINC000040638335 174363354 /nfs/dbraw/zinc/36/33/54/174363354.db2.gz VENTXFKMHNXSBP-UHFFFAOYSA-N 1 1 269.392 2.560 10 0 CFAEMO CCOC1CC[NH+]([C@](C)(CN)CCc2ccccc2)CC1 ZINC000040678751 174374966 /nfs/dbraw/zinc/37/49/66/174374966.db2.gz WYCHAUWFKODUDW-SFHVURJKSA-N 1 1 290.451 2.838 10 0 CFAEMO CCOC1CC[NH+]([C@H](CN)c2sccc2C)CC1 ZINC000040689136 174375719 /nfs/dbraw/zinc/37/57/19/174375719.db2.gz CULANQXZHZJWKB-CYBMUJFWSA-N 1 1 268.426 2.557 10 0 CFAEMO CCOC1CCN([C@@H]2CCc3ccccc3[C@H]2[NH3+])CC1 ZINC000040689224 174375858 /nfs/dbraw/zinc/37/58/58/174375858.db2.gz DWKKUPHMNWGQRN-IAGOWNOFSA-N 1 1 274.408 2.502 10 0 CFAEMO CCOC1CCN([C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000040689332 174376363 /nfs/dbraw/zinc/37/63/63/174376363.db2.gz KKIQFNRJKOKVEY-CABCVRRESA-N 1 1 254.418 2.537 10 0 CFAEMO CCOC1CC[NH+]([C@H]2CCCCCC[C@H]2N)CC1 ZINC000040689332 174376364 /nfs/dbraw/zinc/37/63/64/174376364.db2.gz KKIQFNRJKOKVEY-CABCVRRESA-N 1 1 254.418 2.537 10 0 CFAEMO C[N@H+]1CCC[C@H](Nc2nc3cc(F)ccc3s2)C1 ZINC000040715956 174383250 /nfs/dbraw/zinc/38/32/50/174383250.db2.gz OWOFRWRUGMAMFL-JTQLQIEISA-N 1 1 265.357 2.942 10 0 CFAEMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2N)C1 ZINC000040716850 174384617 /nfs/dbraw/zinc/38/46/17/174384617.db2.gz GREOZOYREULYME-SNVBAGLBSA-N 1 1 281.787 2.593 10 0 CFAEMO CCN(CCOc1ccc(C)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748214 174393425 /nfs/dbraw/zinc/39/34/25/174393425.db2.gz ZSVLFVMLPOXRKL-SJPCQFCGSA-N 1 1 288.435 2.979 10 0 CFAEMO [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]c2ccccc12 ZINC000040749432 174394061 /nfs/dbraw/zinc/39/40/61/174394061.db2.gz BHFMOMFEMVJYRE-AGUYFDCRSA-N 1 1 255.365 2.622 10 0 CFAEMO C[C@@H](NCC[NH+]1CCCCCC1)c1ccc(O)cc1 ZINC000040767251 174398168 /nfs/dbraw/zinc/39/81/68/174398168.db2.gz NGGLBSJTOYPYNF-CQSZACIVSA-N 1 1 262.397 2.919 10 0 CFAEMO CCN1CCC([NH2+]Cc2ccc(-c3cc[nH]n3)cc2)CC1 ZINC000040768420 174398851 /nfs/dbraw/zinc/39/88/51/174398851.db2.gz HOTIKVBSHDWOMN-UHFFFAOYSA-N 1 1 284.407 2.651 10 0 CFAEMO CC[NH+]1CCC(NCc2ccc(-c3cc[nH]n3)cc2)CC1 ZINC000040768420 174398852 /nfs/dbraw/zinc/39/88/52/174398852.db2.gz HOTIKVBSHDWOMN-UHFFFAOYSA-N 1 1 284.407 2.651 10 0 CFAEMO COCC[N@@H+](CC(C)C)[C@@H](CN)c1cccc(C)c1C ZINC000043314981 175004443 /nfs/dbraw/zinc/00/44/43/175004443.db2.gz MSNPZGOQOHVXIU-KRWDZBQOSA-N 1 1 278.440 2.908 10 0 CFAEMO COCCN(CC(C)C)[C@@H](C[NH3+])c1cccc(C)c1C ZINC000043314981 175004445 /nfs/dbraw/zinc/00/44/45/175004445.db2.gz MSNPZGOQOHVXIU-KRWDZBQOSA-N 1 1 278.440 2.908 10 0 CFAEMO Cc1cccc([C@@H](CN)[N@H+](C)CCc2ccncc2)c1C ZINC000043314724 175004754 /nfs/dbraw/zinc/00/47/54/175004754.db2.gz FJPGCUSWGIJGNV-GOSISDBHSA-N 1 1 283.419 2.873 10 0 CFAEMO Cc1cccc([C@@H](CN)[N@@H+](C)CCc2ccncc2)c1C ZINC000043314724 175004755 /nfs/dbraw/zinc/00/47/55/175004755.db2.gz FJPGCUSWGIJGNV-GOSISDBHSA-N 1 1 283.419 2.873 10 0 CFAEMO CC[C@@H](N)[C@H](c1ccccn1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000043338892 175013429 /nfs/dbraw/zinc/01/34/29/175013429.db2.gz CBQTUQBSLUDHHV-HLPPOEQASA-N 1 1 261.413 2.838 10 0 CFAEMO CC[C@@H](N)[C@H](c1ccccn1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000043338892 175013431 /nfs/dbraw/zinc/01/34/31/175013431.db2.gz CBQTUQBSLUDHHV-HLPPOEQASA-N 1 1 261.413 2.838 10 0 CFAEMO CC[C@H](N)[C@H](c1ccncc1)[N@@H+](CC1CC1)C(C)C ZINC000043354689 175022068 /nfs/dbraw/zinc/02/20/68/175022068.db2.gz XIALQTHABFAVQM-HOTGVXAUSA-N 1 1 261.413 2.980 10 0 CFAEMO CC[C@H]([NH3+])[C@H](c1ccncc1)N(CC1CC1)C(C)C ZINC000043354689 175022070 /nfs/dbraw/zinc/02/20/70/175022070.db2.gz XIALQTHABFAVQM-HOTGVXAUSA-N 1 1 261.413 2.980 10 0 CFAEMO CCC(CC)[N@@H+](CCOC)[C@H](c1ccncc1)[C@H](N)CC ZINC000043354730 175022594 /nfs/dbraw/zinc/02/25/94/175022594.db2.gz ICEXERKYXHWFMU-IAGOWNOFSA-N 1 1 293.455 2.997 10 0 CFAEMO CCC(CC)[N@H+](CCOC)[C@H](c1ccncc1)[C@H](N)CC ZINC000043354730 175022596 /nfs/dbraw/zinc/02/25/96/175022596.db2.gz ICEXERKYXHWFMU-IAGOWNOFSA-N 1 1 293.455 2.997 10 0 CFAEMO CC[C@H](N)[C@H](c1ccncc1)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043354737 175022780 /nfs/dbraw/zinc/02/27/80/175022780.db2.gz MGMAGPSDFCVZCK-JQFCIGGWSA-N 1 1 291.439 2.607 10 0 CFAEMO CC[C@H](N)[C@H](c1ccncc1)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043354737 175022782 /nfs/dbraw/zinc/02/27/82/175022782.db2.gz MGMAGPSDFCVZCK-JQFCIGGWSA-N 1 1 291.439 2.607 10 0 CFAEMO C[N@H+](CC1CC1)[C@H](CN)c1ccc(Cl)c(F)c1 ZINC000043390406 175033564 /nfs/dbraw/zinc/03/35/64/175033564.db2.gz RKLHQSJVLZATIT-CYBMUJFWSA-N 1 1 256.752 2.821 10 0 CFAEMO C[N@@H+](CC1CC1)[C@H](CN)c1ccc(Cl)c(F)c1 ZINC000043390406 175033565 /nfs/dbraw/zinc/03/35/65/175033565.db2.gz RKLHQSJVLZATIT-CYBMUJFWSA-N 1 1 256.752 2.821 10 0 CFAEMO CCC[C@@H]([NH3+])c1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000043391626 175034028 /nfs/dbraw/zinc/03/40/28/175034028.db2.gz OJODOJSJHRMUKN-SECBINFHSA-N 1 1 271.242 2.954 10 0 CFAEMO CC(C)=CC[NH+]1CCC([NH2+][C@@H](CC(C)C)C(=O)[O-])CC1 ZINC000043434005 175044435 /nfs/dbraw/zinc/04/44/35/175044435.db2.gz BTFSYEQXVWLUJO-HNNXBMFYSA-N 1 1 282.428 2.506 10 0 CFAEMO COc1ccc2nc(SC[C@H]3CCC[NH2+]C3)[nH]c2c1 ZINC000043471644 175053710 /nfs/dbraw/zinc/05/37/10/175053710.db2.gz CBXACBRBXVGJRJ-JTQLQIEISA-N 1 1 277.393 2.663 10 0 CFAEMO CCOC(=O)[C@@H](C)C[N@@H+](CC)Cc1cccs1 ZINC000043615431 175079687 /nfs/dbraw/zinc/07/96/87/175079687.db2.gz JLHVCTYOYGNLME-NSHDSACASA-N 1 1 255.383 2.769 10 0 CFAEMO CCOC(=O)[C@H](C)C[N@H+]1CCc2sccc2[C@@H]1C ZINC000043615631 175079799 /nfs/dbraw/zinc/07/97/99/175079799.db2.gz NAISSLMVGVEPAE-MNOVXSKESA-N 1 1 267.394 2.866 10 0 CFAEMO CCN1CCN([C@H](C(C)C)[C@H]([NH2+]C)c2ccccc2)CC1 ZINC000043805807 175107378 /nfs/dbraw/zinc/10/73/78/175107378.db2.gz HBQGVXYGUAAFKR-QZTJIDSGSA-N 1 1 289.467 2.609 10 0 CFAEMO CCN[C@@H]1c2ccc(OC)cc2CC[C@@H]1[NH+]1CCCC1 ZINC000043807494 175108066 /nfs/dbraw/zinc/10/80/66/175108066.db2.gz MEVFTQNVWJFBOV-DLBZAZTESA-N 1 1 274.408 2.756 10 0 CFAEMO CCC[NH2+][C@@H](CCC)[C@H](CC)N1CCN(CC)CC1 ZINC000043806237 175108555 /nfs/dbraw/zinc/10/85/55/175108555.db2.gz GFEFLCMVKAZMAP-HOTGVXAUSA-N 1 1 269.477 2.571 10 0 CFAEMO CCOc1ccccc1[C@@H](C[NH+](CC)CC)NC ZINC000043809009 175109503 /nfs/dbraw/zinc/10/95/03/175109503.db2.gz RJKRRXVTBUVDTI-CQSZACIVSA-N 1 1 250.386 2.688 10 0 CFAEMO CCC[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)N1CCN(C)CC1 ZINC000043811023 175110588 /nfs/dbraw/zinc/11/05/88/175110588.db2.gz GUSXGEWZSFXLSW-SJLPKXTDSA-N 1 1 289.467 2.672 10 0 CFAEMO CN[C@H]1c2ccc(OC)cc2CC[C@H]1[N@H+](C)C(C)C ZINC000043813241 175110622 /nfs/dbraw/zinc/11/06/22/175110622.db2.gz YIVIPJYBSAWKFX-CVEARBPZSA-N 1 1 262.397 2.611 10 0 CFAEMO CN[C@H]1c2ccc(OC)cc2CC[C@H]1[N@@H+](C)C(C)C ZINC000043813241 175110623 /nfs/dbraw/zinc/11/06/23/175110623.db2.gz YIVIPJYBSAWKFX-CVEARBPZSA-N 1 1 262.397 2.611 10 0 CFAEMO CN[C@@H](C[N@@H+]1CCC[C@@H](C)C1)c1ccc(OC)cc1 ZINC000043811703 175110918 /nfs/dbraw/zinc/11/09/18/175110918.db2.gz GJKXBAIQGZGBKB-CJNGLKHVSA-N 1 1 262.397 2.688 10 0 CFAEMO CN[C@@H](C[N@H+]1CCC[C@@H](C)C1)c1ccc(OC)cc1 ZINC000043811703 175110920 /nfs/dbraw/zinc/11/09/20/175110920.db2.gz GJKXBAIQGZGBKB-CJNGLKHVSA-N 1 1 262.397 2.688 10 0 CFAEMO CCCC[N@H+](C)C[C@@H](NC)c1cc(OC)ccc1OC ZINC000043816742 175112097 /nfs/dbraw/zinc/11/20/97/175112097.db2.gz FFLGKQYVFPHREJ-OAHLLOKOSA-N 1 1 280.412 2.696 10 0 CFAEMO CCCC[N@@H+](C)C[C@@H](NC)c1cc(OC)ccc1OC ZINC000043816742 175112099 /nfs/dbraw/zinc/11/20/99/175112099.db2.gz FFLGKQYVFPHREJ-OAHLLOKOSA-N 1 1 280.412 2.696 10 0 CFAEMO CN[C@H](C[N@H+](C)C1CCCC1)c1ccc2c(c1)OCCO2 ZINC000043883659 175115975 /nfs/dbraw/zinc/11/59/75/175115975.db2.gz PLVSCTJSFNNITL-OAHLLOKOSA-N 1 1 290.407 2.593 10 0 CFAEMO CN[C@H](C[N@@H+](C)C1CCCC1)c1ccc2c(c1)OCCO2 ZINC000043883659 175115977 /nfs/dbraw/zinc/11/59/77/175115977.db2.gz PLVSCTJSFNNITL-OAHLLOKOSA-N 1 1 290.407 2.593 10 0 CFAEMO CCC[N@H+](C)C[C@H](NCC)c1ccc(OC)c(OC)c1 ZINC000043886166 175117086 /nfs/dbraw/zinc/11/70/86/175117086.db2.gz UIYSYTLQLREGJP-AWEZNQCLSA-N 1 1 280.412 2.696 10 0 CFAEMO CCC[N@@H+](C)C[C@H](NCC)c1ccc(OC)c(OC)c1 ZINC000043886166 175117087 /nfs/dbraw/zinc/11/70/87/175117087.db2.gz UIYSYTLQLREGJP-AWEZNQCLSA-N 1 1 280.412 2.696 10 0 CFAEMO CCC[N@H+](C[C@H](NCC)c1ccc2c(c1)OCO2)C1CC1 ZINC000043885584 175117118 /nfs/dbraw/zinc/11/71/18/175117118.db2.gz WQWJJOOZKBCUSG-HNNXBMFYSA-N 1 1 290.407 2.940 10 0 CFAEMO CCC[N@@H+](C[C@H](NCC)c1ccc2c(c1)OCO2)C1CC1 ZINC000043885584 175117120 /nfs/dbraw/zinc/11/71/20/175117120.db2.gz WQWJJOOZKBCUSG-HNNXBMFYSA-N 1 1 290.407 2.940 10 0 CFAEMO CCN[C@H](C[N@H+](C)CC(C)C)c1ccc(OC)c(OC)c1 ZINC000043886905 175117680 /nfs/dbraw/zinc/11/76/80/175117680.db2.gz YIDCRBUFXNUKON-OAHLLOKOSA-N 1 1 294.439 2.942 10 0 CFAEMO CCN[C@H](C[N@@H+](C)CC(C)C)c1ccc(OC)c(OC)c1 ZINC000043886905 175117682 /nfs/dbraw/zinc/11/76/82/175117682.db2.gz YIDCRBUFXNUKON-OAHLLOKOSA-N 1 1 294.439 2.942 10 0 CFAEMO CCN[C@H]1c2ccccc2OC[C@H]1[N@H+](C)[C@@H](C)C1CC1 ZINC000043895033 175119150 /nfs/dbraw/zinc/11/91/50/175119150.db2.gz WGDRAAKMCAMJGL-MJEQTWJJSA-N 1 1 274.408 2.829 10 0 CFAEMO CCN[C@H]1c2ccccc2OC[C@H]1[N@@H+](C)[C@@H](C)C1CC1 ZINC000043895033 175119151 /nfs/dbraw/zinc/11/91/51/175119151.db2.gz WGDRAAKMCAMJGL-MJEQTWJJSA-N 1 1 274.408 2.829 10 0 CFAEMO CC[C@H]1CCC[N@@H+]([C@@H]2COc3ccccc3[C@@H]2NC)C1 ZINC000043896706 175119338 /nfs/dbraw/zinc/11/93/38/175119338.db2.gz IWVLUVXTNSFJLF-LXZKKBNFSA-N 1 1 274.408 2.830 10 0 CFAEMO CC[C@H]1CCC[N@H+]([C@@H]2COc3ccccc3[C@@H]2NC)C1 ZINC000043896706 175119340 /nfs/dbraw/zinc/11/93/40/175119340.db2.gz IWVLUVXTNSFJLF-LXZKKBNFSA-N 1 1 274.408 2.830 10 0 CFAEMO CN[C@@H](C[N@@H+](C)[C@@H](C)C1CC1)c1ccccc1OC ZINC000043894662 175119523 /nfs/dbraw/zinc/11/95/23/175119523.db2.gz OLBGYZBDJCXTCT-WFASDCNBSA-N 1 1 262.397 2.686 10 0 CFAEMO C[NH2+][C@@H](CN(C)[C@@H](C)C1CC1)c1ccccc1OC ZINC000043894662 175119525 /nfs/dbraw/zinc/11/95/25/175119525.db2.gz OLBGYZBDJCXTCT-WFASDCNBSA-N 1 1 262.397 2.686 10 0 CFAEMO CCN[C@@H](c1ccccc1)[C@@H](C)[N@H+](C)C1CCOCC1 ZINC000043898343 175121256 /nfs/dbraw/zinc/12/12/56/175121256.db2.gz DQNMAHSQFUABGI-RHSMWYFYSA-N 1 1 276.424 2.837 10 0 CFAEMO CCN[C@@H](c1ccccc1)[C@@H](C)[N@@H+](C)C1CCOCC1 ZINC000043898343 175121258 /nfs/dbraw/zinc/12/12/58/175121258.db2.gz DQNMAHSQFUABGI-RHSMWYFYSA-N 1 1 276.424 2.837 10 0 CFAEMO CN[C@@H](C[N@@H+]1CCC[C@@H]1C)c1cc(C)ccc1OC ZINC000043902703 175122690 /nfs/dbraw/zinc/12/26/90/175122690.db2.gz NPSPRHAILKNPAG-ZFWWWQNUSA-N 1 1 262.397 2.748 10 0 CFAEMO CN[C@@H](C[N@H+]1CCC[C@@H]1C)c1cc(C)ccc1OC ZINC000043902703 175122692 /nfs/dbraw/zinc/12/26/92/175122692.db2.gz NPSPRHAILKNPAG-ZFWWWQNUSA-N 1 1 262.397 2.748 10 0 CFAEMO CN[C@@H](c1ccc(OC)cc1)[C@H](C)[N@H+](C)CC1CC1 ZINC000043905384 175122820 /nfs/dbraw/zinc/12/28/20/175122820.db2.gz QZGYXODKPZAFCR-BLLLJJGKSA-N 1 1 262.397 2.686 10 0 CFAEMO CN[C@@H](c1ccc(OC)cc1)[C@H](C)[N@@H+](C)CC1CC1 ZINC000043905384 175122822 /nfs/dbraw/zinc/12/28/22/175122822.db2.gz QZGYXODKPZAFCR-BLLLJJGKSA-N 1 1 262.397 2.686 10 0 CFAEMO CCN[C@H](C[N@H+](C)CC1CC1)c1cccc(OC)c1 ZINC000043905894 175122916 /nfs/dbraw/zinc/12/29/16/175122916.db2.gz RDVCFZPKBXNSFQ-MRXNPFEDSA-N 1 1 262.397 2.688 10 0 CFAEMO CCN[C@H](C[N@@H+](C)CC1CC1)c1cccc(OC)c1 ZINC000043905894 175122918 /nfs/dbraw/zinc/12/29/18/175122918.db2.gz RDVCFZPKBXNSFQ-MRXNPFEDSA-N 1 1 262.397 2.688 10 0 CFAEMO CN[C@@H](C[N@H+](C)CCC(C)C)c1ccc(OC)c(OC)c1 ZINC000043914612 175124432 /nfs/dbraw/zinc/12/44/32/175124432.db2.gz VNMKMPVMHLKKOU-HNNXBMFYSA-N 1 1 294.439 2.942 10 0 CFAEMO CN[C@@H](C[N@@H+](C)CCC(C)C)c1ccc(OC)c(OC)c1 ZINC000043914612 175124433 /nfs/dbraw/zinc/12/44/33/175124433.db2.gz VNMKMPVMHLKKOU-HNNXBMFYSA-N 1 1 294.439 2.942 10 0 CFAEMO CC[C@H]([C@H]([NH2+]C)c1ccccc1)N1CCN(C2CC2)CC1 ZINC000043967614 175129258 /nfs/dbraw/zinc/12/92/58/175129258.db2.gz QKCDNXQTMFMXPB-QZTJIDSGSA-N 1 1 287.451 2.506 10 0 CFAEMO CCOc1ccc([C@@H](C)[NH2+]C)cc1CN(CC)CCOC ZINC000043968587 175129881 /nfs/dbraw/zinc/12/98/81/175129881.db2.gz VSYIJKKNFVYMII-CQSZACIVSA-N 1 1 294.439 2.834 10 0 CFAEMO C[NH2+][C@H]1CCCCC[C@@H]1N(CCOC)CC(C)C ZINC000043970228 175130952 /nfs/dbraw/zinc/13/09/52/175130952.db2.gz XKRIXQGAQZQQQE-GJZGRUSLSA-N 1 1 256.434 2.512 10 0 CFAEMO Cc1ccc([C@H](O)[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000044117244 175142002 /nfs/dbraw/zinc/14/20/02/175142002.db2.gz QGHNONIYWRTEIX-KNCOVGOOSA-N 1 1 263.381 2.526 10 0 CFAEMO CCc1ccc([C@H](O)[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000044117366 175142103 /nfs/dbraw/zinc/14/21/03/175142103.db2.gz PQVWLIRZTNYFSJ-UMPJEAMMSA-N 1 1 277.408 2.780 10 0 CFAEMO COc1cccc([C@@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000044120896 175142720 /nfs/dbraw/zinc/14/27/20/175142720.db2.gz XFZIANKQNJZZFR-INIZCTEOSA-N 1 1 263.381 2.993 10 0 CFAEMO Cc1cc(C)c([C@H](O)C[N@H+](C)C2CCN(C)CC2)c(C)c1 ZINC000044121180 175142879 /nfs/dbraw/zinc/14/28/79/175142879.db2.gz PJFUEHFQPCICOG-QGZVFWFLSA-N 1 1 290.451 2.671 10 0 CFAEMO Cc1cc(C)c([C@H](O)CN(C)C2CC[NH+](C)CC2)c(C)c1 ZINC000044121180 175142880 /nfs/dbraw/zinc/14/28/80/175142880.db2.gz PJFUEHFQPCICOG-QGZVFWFLSA-N 1 1 290.451 2.671 10 0 CFAEMO CC[N@@H+](C1CC1)[C@@H]1CCc2cc(OC)ccc2[C@@H]1O ZINC000044127950 175144030 /nfs/dbraw/zinc/14/40/30/175144030.db2.gz QSGNQLVMBNFTBZ-CVEARBPZSA-N 1 1 261.365 2.528 10 0 CFAEMO CCOc1ccc([C@@H](O)C[N@@H+](CC)C(C)C)cc1 ZINC000044128244 175144131 /nfs/dbraw/zinc/14/41/31/175144131.db2.gz 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/nfs/dbraw/zinc/14/71/84/175147184.db2.gz CSSGIBPDVUSMMW-IAGOWNOFSA-N 1 1 282.472 2.876 10 0 CFAEMO C[N@@H+](C[C@@H]1CCCCO1)[C@@H]1CCCc2ccccc2[C@@H]1O ZINC000044165657 175147944 /nfs/dbraw/zinc/14/79/44/175147944.db2.gz XATPJMGTEFOTCX-JQHSSLGASA-N 1 1 289.419 2.926 10 0 CFAEMO COCC[N@@H+](C[C@@H](O)c1cccc2ccccc21)C1CC1 ZINC000044171855 175148999 /nfs/dbraw/zinc/14/89/99/175148999.db2.gz KCMISIFRYWBPAX-GOSISDBHSA-N 1 1 285.387 2.984 10 0 CFAEMO CCN1CCC([N@@H+](C)C[C@H](O)c2ccc(C)cc2C)CC1 ZINC000044172648 175149555 /nfs/dbraw/zinc/14/95/55/175149555.db2.gz SDEXZHIRYHPMHS-SFHVURJKSA-N 1 1 290.451 2.753 10 0 CFAEMO CC[NH+]1CCC(N(C)C[C@H](O)c2ccc(C)cc2C)CC1 ZINC000044172648 175149556 /nfs/dbraw/zinc/14/95/56/175149556.db2.gz SDEXZHIRYHPMHS-SFHVURJKSA-N 1 1 290.451 2.753 10 0 CFAEMO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cc([C@@H](C)O)ccc1OC ZINC000044176020 175149794 /nfs/dbraw/zinc/14/97/94/175149794.db2.gz CWYILVAPTCWSTL-IOASZLSFSA-N 1 1 293.407 2.748 10 0 CFAEMO 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175349980 /nfs/dbraw/zinc/34/99/80/175349980.db2.gz WLRQHFNQXSEWKS-GOEBONIOSA-N 1 1 286.460 2.673 10 0 CFAEMO CC[NH2+][C@](C)(CC[N@@H+](C)C1CCC(CC)CC1)C(=O)[O-] ZINC000045281131 175351720 /nfs/dbraw/zinc/35/17/20/175351720.db2.gz MEEIEANKRDXBRU-ZBCRRDGASA-N 1 1 284.444 2.730 10 0 CFAEMO CCCC[N@@H+](C[C@](C)(NCC)C(=O)OCC)[C@@H](C)CC ZINC000045282548 175352665 /nfs/dbraw/zinc/35/26/65/175352665.db2.gz NVGJXTHDJIPBEP-HOCLYGCPSA-N 1 1 286.460 2.818 10 0 CFAEMO CCOC(=O)[C@@H](C[N@@H+](CC)C1CCCCC1)NC(C)C ZINC000045372230 175365008 /nfs/dbraw/zinc/36/50/08/175365008.db2.gz JIAKNTNHZSMKMN-OAHLLOKOSA-N 1 1 284.444 2.571 10 0 CFAEMO CCCN[C@](C)(CCCC[N@H+]1CCCC[C@@H]1C)C(=O)OC ZINC000045376088 175366257 /nfs/dbraw/zinc/36/62/57/175366257.db2.gz JZPNMMOCJBTZNF-DOTOQJQBSA-N 1 1 298.471 2.962 10 0 CFAEMO COC(=O)[C@@](C)(CCCN(C)c1ccccc1)[NH2+]C(C)C ZINC000045376643 175366925 /nfs/dbraw/zinc/36/69/25/175366925.db2.gz TYVWCFCLYNIKQK-QGZVFWFLSA-N 1 1 292.423 2.833 10 0 CFAEMO 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ZINC000020226551 171091338 /nfs/dbraw/zinc/09/13/38/171091338.db2.gz WAZDJHRYKNLLDC-HNNXBMFYSA-N 1 1 250.386 2.817 10 0 CFAEMO CCCOc1ccc([C@H](CN)[N@@H+](C)CCC)cc1 ZINC000020226551 171091339 /nfs/dbraw/zinc/09/13/39/171091339.db2.gz WAZDJHRYKNLLDC-HNNXBMFYSA-N 1 1 250.386 2.817 10 0 CFAEMO COc1ccc(C[N@H+](C)C2(CN)CCCCC2)cc1OC ZINC000020226867 171091406 /nfs/dbraw/zinc/09/14/06/171091406.db2.gz HKBLKUONGMPTTO-UHFFFAOYSA-N 1 1 292.423 2.797 10 0 CFAEMO COc1ccc(C[N@@H+](C)C2(CN)CCCCC2)cc1OC ZINC000020226867 171091408 /nfs/dbraw/zinc/09/14/08/171091408.db2.gz HKBLKUONGMPTTO-UHFFFAOYSA-N 1 1 292.423 2.797 10 0 CFAEMO CC(C)Oc1ccc([C@H](CN)[N@H+](C)CC2CC2)cc1 ZINC000020226587 171091615 /nfs/dbraw/zinc/09/16/15/171091615.db2.gz ILKJSGHAIUPODG-INIZCTEOSA-N 1 1 262.397 2.815 10 0 CFAEMO CC(C)Oc1ccc([C@H](CN)[N@@H+](C)CC2CC2)cc1 ZINC000020226587 171091616 /nfs/dbraw/zinc/09/16/16/171091616.db2.gz ILKJSGHAIUPODG-INIZCTEOSA-N 1 1 262.397 2.815 10 0 CFAEMO C[NH+](C)C[C@H](N)c1ccc2c(c1)Cc1ccccc1-2 ZINC000020260350 171117172 /nfs/dbraw/zinc/11/71/72/171117172.db2.gz URXYSUCARROWPD-KRWDZBQOSA-N 1 1 252.361 2.819 10 0 CFAEMO Cn1cccc1C[NH2+]Cc1nc2ccccc2s1 ZINC000020360496 171158837 /nfs/dbraw/zinc/15/88/37/171158837.db2.gz YKGXZXDQLLKKKV-UHFFFAOYSA-N 1 1 257.362 2.925 10 0 CFAEMO COC(C)(C)C[C@H](C)[NH2+]C[C@H](C(C)C)N1CCCC1 ZINC000020524764 171237625 /nfs/dbraw/zinc/23/76/25/171237625.db2.gz OYDRKTKLOMHGPU-LSDHHAIUSA-N 1 1 270.461 2.900 10 0 CFAEMO CCOc1ccc(C(=O)[C@H]([NH3+])c2ccccc2)cc1 ZINC000020805881 171273140 /nfs/dbraw/zinc/27/31/40/171273140.db2.gz TWWCARZLASMXTF-OAHLLOKOSA-N 1 1 255.317 2.968 10 0 CFAEMO CC(C)[N@H+](C)[C@@H](CN)c1cccc(Br)c1 ZINC000022172283 171368918 /nfs/dbraw/zinc/36/89/18/171368918.db2.gz OBDKJYTWDOBLQR-LBPRGKRZSA-N 1 1 271.202 2.789 10 0 CFAEMO CC(C)[N@@H+](C)[C@@H](CN)c1cccc(Br)c1 ZINC000022172283 171368920 /nfs/dbraw/zinc/36/89/20/171368920.db2.gz OBDKJYTWDOBLQR-LBPRGKRZSA-N 1 1 271.202 2.789 10 0 CFAEMO Cc1ccc(N)cc1NC(=O)[C@H](C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022211340 171373682 /nfs/dbraw/zinc/37/36/82/171373682.db2.gz HCJQNAZVJLCJQD-SCRDCRAPSA-N 1 1 289.423 2.882 10 0 CFAEMO COc1ccc([C@H](N)C[N@@H+]2[C@H](C)CCC[C@@H]2C)c(OC)c1 ZINC000022566306 171391559 /nfs/dbraw/zinc/39/15/59/171391559.db2.gz GHGNDPAREFVQGB-DVOMOZLQSA-N 1 1 292.423 2.967 10 0 CFAEMO COc1ccc([C@H]([NH3+])CN2[C@H](C)CCC[C@@H]2C)c(OC)c1 ZINC000022566306 171391560 /nfs/dbraw/zinc/39/15/60/171391560.db2.gz GHGNDPAREFVQGB-DVOMOZLQSA-N 1 1 292.423 2.967 10 0 CFAEMO O=C1NCCCC[C@H]1[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000035224354 172068455 /nfs/dbraw/zinc/06/84/55/172068455.db2.gz MQECCPGYQDIJTJ-GDBMZVCRSA-N 1 1 284.359 2.627 10 0 CFAEMO CC[NH2+][C@H](c1ccco1)c1cc(OC)ccc1OC ZINC000035541386 172248843 /nfs/dbraw/zinc/24/88/43/172248843.db2.gz DFDKGTIXXBCHAM-HNNXBMFYSA-N 1 1 261.321 2.996 10 0 CFAEMO CC[NH2+][C@@H](c1cnn(C)c1)c1c(F)cccc1Cl ZINC000035556176 172261582 /nfs/dbraw/zinc/26/15/82/172261582.db2.gz QTFYPNYHSKDOST-ZDUSSCGKSA-N 1 1 267.735 2.912 10 0 CFAEMO CCC[NH+](CCC)CCc1nc2ccc(N)cc2[nH]1 ZINC000035659122 172335822 /nfs/dbraw/zinc/33/58/22/172335822.db2.gz PCTNOPDEQRXZQE-UHFFFAOYSA-N 1 1 260.385 2.810 10 0 CFAEMO CCc1ccc([C@H](CN)[N@H+](C)[C@@H]2CCSC2)cc1 ZINC000037174475 173008590 /nfs/dbraw/zinc/00/85/90/173008590.db2.gz PCTXKAUQMODRON-CABCVRRESA-N 1 1 264.438 2.686 10 0 CFAEMO CCc1ccc([C@H](CN)[N@@H+](C)[C@@H]2CCSC2)cc1 ZINC000037174475 173008593 /nfs/dbraw/zinc/00/85/93/173008593.db2.gz PCTXKAUQMODRON-CABCVRRESA-N 1 1 264.438 2.686 10 0 CFAEMO C[N@H+]1CCCC[C@@H]1CCSc1ccncc1N ZINC000037182698 173015311 /nfs/dbraw/zinc/01/53/11/173015311.db2.gz DDAOEYNGYHOYJR-LLVKDONJSA-N 1 1 251.399 2.630 10 0 CFAEMO CO[C@@H]1CCCC[C@@H]1NCC[NH+](C(C)C)C(C)C ZINC000037188746 173018790 /nfs/dbraw/zinc/01/87/90/173018790.db2.gz MDAQKSKSKCVZNR-LSDHHAIUSA-N 1 1 256.434 2.652 10 0 CFAEMO CCC[N@H+]1CCC[C@@H]([C@@H](C)NCc2ccco2)C1 ZINC000037208435 173030518 /nfs/dbraw/zinc/03/05/18/173030518.db2.gz KXKRDHXHOKKUON-ZIAGYGMSSA-N 1 1 250.386 2.880 10 0 CFAEMO C[C@@H](NCc1ccc(F)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000037210007 173032173 /nfs/dbraw/zinc/03/21/73/173032173.db2.gz KEXWCUKQUWBRQY-OCCSQVGLSA-N 1 1 250.361 2.646 10 0 CFAEMO C[C@@H](NCc1ccc(F)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000037210007 173032175 /nfs/dbraw/zinc/03/21/75/173032175.db2.gz KEXWCUKQUWBRQY-OCCSQVGLSA-N 1 1 250.361 2.646 10 0 CFAEMO C[C@@H]([NH2+]Cc1ccc(F)cc1)[C@H]1CCCN(C)C1 ZINC000037210007 173032176 /nfs/dbraw/zinc/03/21/76/173032176.db2.gz KEXWCUKQUWBRQY-OCCSQVGLSA-N 1 1 250.361 2.646 10 0 CFAEMO COC1CCN([C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2[NH3+])CC1 ZINC000037266198 173075786 /nfs/dbraw/zinc/07/57/86/173075786.db2.gz SOJKXVDDGREFEL-AEGPPILISA-N 1 1 268.445 2.639 10 0 CFAEMO Cc1ccc(C[NH2+]Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000037300649 173106469 /nfs/dbraw/zinc/10/64/69/173106469.db2.gz ISPBEEKHBVFNKO-UHFFFAOYSA-N 1 1 279.343 2.521 10 0 CFAEMO C[C@H]1CCCC[N@H+]1CCCNCc1nccn1C(F)F ZINC000037302546 173108278 /nfs/dbraw/zinc/10/82/78/173108278.db2.gz YQYVCMXCXNMGFX-LBPRGKRZSA-N 1 1 286.370 2.632 10 0 CFAEMO Cc1ncsc1[C@H](C)NC1CC[NH+](C2CC2)CC1 ZINC000037318661 173119129 /nfs/dbraw/zinc/11/91/29/173119129.db2.gz JISSFRUEFNTSGT-NSHDSACASA-N 1 1 265.426 2.729 10 0 CFAEMO CCC[N@@H+](CC(=O)c1ccc2c(c1)OCO2)C(C)C ZINC000037335062 173134997 /nfs/dbraw/zinc/13/49/97/173134997.db2.gz DSRSAPSPESQJDC-UHFFFAOYSA-N 1 1 263.337 2.718 10 0 CFAEMO CCC[C@@H](C)[N@@H+](C)[C@@H](CN)c1ccc2c(c1)CCO2 ZINC000037363878 173152269 /nfs/dbraw/zinc/15/22/69/173152269.db2.gz JXHSYWJYIDUHEC-DOMZBBRYSA-N 1 1 262.397 2.742 10 0 CFAEMO CCC[C@@H](C)N(C)[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037363878 173152271 /nfs/dbraw/zinc/15/22/71/173152271.db2.gz JXHSYWJYIDUHEC-DOMZBBRYSA-N 1 1 262.397 2.742 10 0 CFAEMO CCC[N@@H+](C(C)C)[C@H](CN)c1ccc2c(c1)CCO2 ZINC000037363768 173152888 /nfs/dbraw/zinc/15/28/88/173152888.db2.gz PAQJYAGSZSCELB-OAHLLOKOSA-N 1 1 262.397 2.742 10 0 CFAEMO CCCN(C(C)C)[C@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037363768 173152891 /nfs/dbraw/zinc/15/28/91/173152891.db2.gz PAQJYAGSZSCELB-OAHLLOKOSA-N 1 1 262.397 2.742 10 0 CFAEMO C[N@H+]1CC[C@H](CNc2ncc(Cl)cc2Cl)C1 ZINC000037485185 173229263 /nfs/dbraw/zinc/22/92/63/173229263.db2.gz SQJZXQKYJPWOPL-MRVPVSSYSA-N 1 1 260.168 2.752 10 0 CFAEMO C[C@@H]1C[N@H+](C[C@H]2CCCCC2(F)F)C[C@H](C)[C@H]1O ZINC000661621501 414087546 /nfs/dbraw/zinc/08/75/46/414087546.db2.gz NHGRFAMZOZGFHE-XQHKEYJVSA-N 1 1 261.356 2.761 10 0 CFAEMO CCCCOC[C@H](O)C[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000662042952 414381324 /nfs/dbraw/zinc/38/13/24/414381324.db2.gz HRKLQDOBEHQHBV-JKSUJKDBSA-N 1 1 269.429 2.676 10 0 CFAEMO C[NH2+][C@H](c1ccoc1)c1c(F)cc(OC)cc1F ZINC000037903439 173835064 /nfs/dbraw/zinc/83/50/64/173835064.db2.gz GLHJJWHAEFZXKV-CYBMUJFWSA-N 1 1 253.248 2.875 10 0 CFAEMO COCc1nc(C[NH2+]C[C@@H]2CCC3(CCCC3)O2)cs1 ZINC000655864394 414485943 /nfs/dbraw/zinc/48/59/43/414485943.db2.gz XZDRIZJOEUFIDG-ZDUSSCGKSA-N 1 1 296.436 2.871 10 0 CFAEMO CC(C)Oc1ccc([C@@H](N)C[N@H+]2CCC[C@@H]2C)cc1 ZINC000037910618 173844142 /nfs/dbraw/zinc/84/41/42/173844142.db2.gz NHMUQSHKVQVTNY-BBRMVZONSA-N 1 1 262.397 2.958 10 0 CFAEMO CC(C)Oc1ccc([C@@H]([NH3+])CN2CCC[C@@H]2C)cc1 ZINC000037910618 173844143 /nfs/dbraw/zinc/84/41/43/173844143.db2.gz NHMUQSHKVQVTNY-BBRMVZONSA-N 1 1 262.397 2.958 10 0 CFAEMO C[C@@H](CNCc1ccc2c(c1)OCO2)C[NH+]1CCCCC1 ZINC000038041635 174043381 /nfs/dbraw/zinc/04/33/81/174043381.db2.gz BFBCSUXOOXAKGY-AWEZNQCLSA-N 1 1 290.407 2.627 10 0 CFAEMO C[C@H](c1cccc(Cl)c1)N(C)C(=O)[C@@H]1CSC[NH2+]1 ZINC000038101356 174117109 /nfs/dbraw/zinc/11/71/09/174117109.db2.gz DLCKIZXQQCLSJG-SKDRFNHKSA-N 1 1 284.812 2.522 10 0 CFAEMO c1ccc2c(c1)OCC[C@@H]2NCC[NH+]1CCCCC1 ZINC000038393140 174141638 /nfs/dbraw/zinc/14/16/38/174141638.db2.gz ZZNPNCNMEXMMHY-HNNXBMFYSA-N 1 1 260.381 2.586 10 0 CFAEMO Cc1ccc(CNCC[NH2+]Cc2ccccc2)cc1 ZINC000038599494 174149074 /nfs/dbraw/zinc/14/90/74/174149074.db2.gz YSCGRFIKSDUJOI-UHFFFAOYSA-N 1 1 254.377 2.874 10 0 CFAEMO CCOc1ccc([C@H](CN)[NH+]2CCCCCC2)cc1 ZINC000038827580 174156594 /nfs/dbraw/zinc/15/65/94/174156594.db2.gz LFDFLWIJSDIACU-INIZCTEOSA-N 1 1 262.397 2.961 10 0 CFAEMO CCOc1ccccc1[C@H](CN)[NH+]1CCCCCC1 ZINC000038860890 174157851 /nfs/dbraw/zinc/15/78/51/174157851.db2.gz KXPYNNJXVQJDNU-HNNXBMFYSA-N 1 1 262.397 2.961 10 0 CFAEMO CC[NH+](CC)[C@@H](CN)c1ccc(OC(C)C)cc1 ZINC000038983683 174161462 /nfs/dbraw/zinc/16/14/62/174161462.db2.gz NPBYYXOJMRURJV-HNNXBMFYSA-N 1 1 250.386 2.815 10 0 CFAEMO O[C@H](Cc1[nH]cc[nH+]1)c1cc(F)ccc1Br ZINC000040261329 174216994 /nfs/dbraw/zinc/21/69/94/174216994.db2.gz VHVASQKQFTWPDQ-SNVBAGLBSA-N 1 1 285.116 2.587 10 0 CFAEMO O[C@H](Cc1[nH]cc[nH+]1)c1ccc(Br)cc1F ZINC000040261529 174217439 /nfs/dbraw/zinc/21/74/39/174217439.db2.gz DRFUWPSMUBPJIG-SNVBAGLBSA-N 1 1 285.116 2.587 10 0 CFAEMO CC[N@@H+]1CCC[C@@H](NCc2ccc(F)c(F)c2)C1 ZINC000040502054 174298354 /nfs/dbraw/zinc/29/83/54/174298354.db2.gz HTRFZQABXRRMOU-GFCCVEGCSA-N 1 1 254.324 2.539 10 0 CFAEMO CC[N@H+]1CCC[C@@H](NCc2ccc(F)c(F)c2)C1 ZINC000040502054 174298356 /nfs/dbraw/zinc/29/83/56/174298356.db2.gz HTRFZQABXRRMOU-GFCCVEGCSA-N 1 1 254.324 2.539 10 0 CFAEMO CC[C@@H](C)N(CC)c1[nH+]c(C)cc(C)c1C(N)=S ZINC000040510238 174303860 /nfs/dbraw/zinc/30/38/60/174303860.db2.gz FMNFFBWOEJMPFO-LLVKDONJSA-N 1 1 265.426 2.957 10 0 CFAEMO CC[C@H](C)N(CC)c1[nH+]c(C)cc(C)c1C(N)=S ZINC000040510240 174303999 /nfs/dbraw/zinc/30/39/99/174303999.db2.gz FMNFFBWOEJMPFO-NSHDSACASA-N 1 1 265.426 2.957 10 0 CFAEMO C[NH2+]C[C@H]1CCCN([C@@H](C)Cc2ccccc2OC)C1 ZINC000040593437 174347531 /nfs/dbraw/zinc/34/75/31/174347531.db2.gz NXQGEIIGDDKQEG-LSDHHAIUSA-N 1 1 276.424 2.558 10 0 CFAEMO CC[N@H+]([C@H](CN)c1cccc(OC(C)C)c1)C1CC1 ZINC000040640991 174364421 /nfs/dbraw/zinc/36/44/21/174364421.db2.gz GQZJNKXEEORJEP-MRXNPFEDSA-N 1 1 262.397 2.958 10 0 CFAEMO CC[N@@H+]([C@H](CN)c1cccc(OC(C)C)c1)C1CC1 ZINC000040640991 174364422 /nfs/dbraw/zinc/36/44/22/174364422.db2.gz GQZJNKXEEORJEP-MRXNPFEDSA-N 1 1 262.397 2.958 10 0 CFAEMO CCCCN(C)c1nc[nH+]c(NC(C)(C)C)c1N ZINC000040680468 174374939 /nfs/dbraw/zinc/37/49/39/174374939.db2.gz PDSWZYYKIFFZRY-UHFFFAOYSA-N 1 1 251.378 2.506 10 0 CFAEMO CCCCN(C)c1[nH+]cnc(NC(C)(C)C)c1N ZINC000040680468 174374940 /nfs/dbraw/zinc/37/49/40/174374940.db2.gz PDSWZYYKIFFZRY-UHFFFAOYSA-N 1 1 251.378 2.506 10 0 CFAEMO CCOC1CC[NH+](C[C@H](N)c2ccc(C)c(C)c2)CC1 ZINC000040689242 174376160 /nfs/dbraw/zinc/37/61/60/174376160.db2.gz IFVKPQWMTSINNG-KRWDZBQOSA-N 1 1 276.424 2.804 10 0 CFAEMO CCCNc1[nH+]cnc(NCCc2ccccc2)c1N ZINC000040707623 174380078 /nfs/dbraw/zinc/38/00/78/174380078.db2.gz IEKVLFPVACMFPQ-UHFFFAOYSA-N 1 1 271.368 2.535 10 0 CFAEMO CCCNc1nc[nH+]c(NCCc2ccccc2)c1N ZINC000040707623 174380080 /nfs/dbraw/zinc/38/00/80/174380080.db2.gz IEKVLFPVACMFPQ-UHFFFAOYSA-N 1 1 271.368 2.535 10 0 CFAEMO C[C@H]1CC[N@@H+](Cc2c(N)cccc2Br)C1 ZINC000040716917 174384125 /nfs/dbraw/zinc/38/41/25/174384125.db2.gz PSADTVUSNJKWTE-VIFPVBQESA-N 1 1 269.186 2.873 10 0 CFAEMO C[C@@H]1CC[N@@H+](Cc2ccc(N)cc2Br)C1 ZINC000040716982 174384567 /nfs/dbraw/zinc/38/45/67/174384567.db2.gz XYCPARQSSPUOEB-SECBINFHSA-N 1 1 269.186 2.873 10 0 CFAEMO Nc1c(NC2CCCCCC2)[nH+]cnc1N1CCCC1 ZINC000040724558 174386707 /nfs/dbraw/zinc/38/67/07/174386707.db2.gz ITXAYPFPHCVBFH-UHFFFAOYSA-N 1 1 275.400 2.794 10 0 CFAEMO CCCN(Cc1cccc(O)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747556 174392876 /nfs/dbraw/zinc/39/28/76/174392876.db2.gz UUFXWICNNTWIII-XYPWUTKMSA-N 1 1 274.408 2.887 10 0 CFAEMO CCCN(Cc1c(C)nn(C)c1C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747662 174392938 /nfs/dbraw/zinc/39/29/38/174392938.db2.gz NAROZZGCRJBCOR-XYPWUTKMSA-N 1 1 290.455 2.532 10 0 CFAEMO CC[C@H](c1ccc(O)cc1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749320 174394195 /nfs/dbraw/zinc/39/41/95/174394195.db2.gz WLJBAZCBWJFVRC-NQKGRLOXSA-N 1 1 260.381 2.797 10 0 CFAEMO CCOC(=O)[C@@H]([NH2+]CC(C)C)[C@@H](C)c1ccccc1 ZINC000041085880 174476581 /nfs/dbraw/zinc/47/65/81/174476581.db2.gz BRBGSVOXKPBCJX-ZFWWWQNUSA-N 1 1 263.381 2.967 10 0 CFAEMO CCc1nc([C@H]([NH2+]C2CC2)c2cnn(C)c2)sc1C ZINC000041199640 174510253 /nfs/dbraw/zinc/51/02/53/174510253.db2.gz NGCFCESGBSMZKW-CYBMUJFWSA-N 1 1 276.409 2.589 10 0 CFAEMO C[C@@H](N[C@@H](C)C[NH+]1CCCC1)c1cccc(F)c1 ZINC000042597697 174815188 /nfs/dbraw/zinc/81/51/88/174815188.db2.gz QKGBWZXSNZCHBF-QWHCGFSZSA-N 1 1 250.361 2.961 10 0 CFAEMO Cc1nnc(S[C@H](c2ccc(C)cc2)[C@@H](C)[NH3+])[nH]1 ZINC000042912510 174911209 /nfs/dbraw/zinc/91/12/09/174911209.db2.gz AKOBKUWKNAYZBV-SKDRFNHKSA-N 1 1 262.382 2.602 10 0 CFAEMO Cc1n[nH]c(S[C@H](c2ccc(C)cc2)[C@@H](C)[NH3+])n1 ZINC000042912510 174911211 /nfs/dbraw/zinc/91/12/11/174911211.db2.gz AKOBKUWKNAYZBV-SKDRFNHKSA-N 1 1 262.382 2.602 10 0 CFAEMO CC(C)N1CCN([C@H](c2ccccc2Cl)[C@@H](C)[NH3+])CC1 ZINC000043051557 174959983 /nfs/dbraw/zinc/95/99/83/174959983.db2.gz JQCMWDRCIGZNHV-CJNGLKHVSA-N 1 1 295.858 2.754 10 0 CFAEMO CCC(CC)[N@@H+](CCOC)[C@@H]([C@@H](C)N)C(C)(C)C ZINC000043306250 175003240 /nfs/dbraw/zinc/00/32/40/175003240.db2.gz WSWMCHDMXZTUIL-OCCSQVGLSA-N 1 1 258.450 2.885 10 0 CFAEMO COCC[N@@H+](CC(C)C)[C@H](CN)c1cccc(C)c1C ZINC000043314979 175004467 /nfs/dbraw/zinc/00/44/67/175004467.db2.gz MSNPZGOQOHVXIU-QGZVFWFLSA-N 1 1 278.440 2.908 10 0 CFAEMO COCCN(CC(C)C)[C@H](C[NH3+])c1cccc(C)c1C ZINC000043314979 175004468 /nfs/dbraw/zinc/00/44/68/175004468.db2.gz MSNPZGOQOHVXIU-QGZVFWFLSA-N 1 1 278.440 2.908 10 0 CFAEMO CC[C@@H](N)[C@H](c1ccco1)[N@H+](CCO)C1CCCCC1 ZINC000043336140 175012277 /nfs/dbraw/zinc/01/22/77/175012277.db2.gz PGHXHFBQXRWWKS-GDBMZVCRSA-N 1 1 280.412 2.685 10 0 CFAEMO CC[C@@H](N)[C@H](c1ccco1)[N@@H+](CCO)C1CCCCC1 ZINC000043336140 175012278 /nfs/dbraw/zinc/01/22/78/175012278.db2.gz PGHXHFBQXRWWKS-GDBMZVCRSA-N 1 1 280.412 2.685 10 0 CFAEMO CCC(CC)[N@@H+](CCO)[C@H](c1ccco1)[C@H](N)CC ZINC000043336130 175012358 /nfs/dbraw/zinc/01/23/58/175012358.db2.gz CFZCHOJOFHCTCH-HIFRSBDPSA-N 1 1 268.401 2.541 10 0 CFAEMO CCC(CC)[N@H+](CCO)[C@H](c1ccco1)[C@H](N)CC ZINC000043336130 175012360 /nfs/dbraw/zinc/01/23/60/175012360.db2.gz CFZCHOJOFHCTCH-HIFRSBDPSA-N 1 1 268.401 2.541 10 0 CFAEMO CC[C@H](N)[C@@H](c1ccccn1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000043338889 175013073 /nfs/dbraw/zinc/01/30/73/175013073.db2.gz CBQTUQBSLUDHHV-FQLMCAECSA-N 1 1 261.413 2.838 10 0 CFAEMO CC[C@H](N)[C@@H](c1ccccn1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000043338889 175013074 /nfs/dbraw/zinc/01/30/74/175013074.db2.gz CBQTUQBSLUDHHV-FQLMCAECSA-N 1 1 261.413 2.838 10 0 CFAEMO CCC[C@H]([NH3+])c1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000043391624 175033985 /nfs/dbraw/zinc/03/39/85/175033985.db2.gz OJODOJSJHRMUKN-VIFPVBQESA-N 1 1 271.242 2.954 10 0 CFAEMO c1ccc(NCC[N@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000043428117 175041247 /nfs/dbraw/zinc/04/12/47/175041247.db2.gz VIIYPXFRKRYPOF-JKSUJKDBSA-N 1 1 260.381 2.742 10 0 CFAEMO CC(C)C[C@@H]([NH2+]C1[C@@H]2CCC[C@H]1C[N@@H+](C(C)C)C2)C(=O)[O-] ZINC000043434398 175044297 /nfs/dbraw/zinc/04/42/97/175044297.db2.gz GBBBEGNKMFBHMR-IUOOZAAYSA-N 1 1 296.455 2.584 10 0 CFAEMO CCOc1ccc2nc(S[C@H]3CCC[NH2+]C3)[nH]c2c1 ZINC000043501630 175058642 /nfs/dbraw/zinc/05/86/42/175058642.db2.gz CHTTYGILZGDDTD-NSHDSACASA-N 1 1 277.393 2.806 10 0 CFAEMO C[C@@H](C(N)=S)[N@@H+](C)Cc1csc(Br)c1 ZINC000043514461 175061695 /nfs/dbraw/zinc/06/16/95/175061695.db2.gz HFHVCAFWCDPGRI-LURJTMIESA-N 1 1 293.255 2.617 10 0 CFAEMO CC[C@H](C(N)=S)[N@@H+](C)Cc1ccccc1Cl ZINC000043540081 175063757 /nfs/dbraw/zinc/06/37/57/175063757.db2.gz LOEMETDJJUZWCH-LLVKDONJSA-N 1 1 256.802 2.837 10 0 CFAEMO CCn1cc([C@H]([NH2+]C)c2ccccc2Br)cn1 ZINC000043560788 175066560 /nfs/dbraw/zinc/06/65/60/175066560.db2.gz NUKZNMLWFSNJNT-ZDUSSCGKSA-N 1 1 294.196 2.974 10 0 CFAEMO COc1cccc(OC)c1[C@H]([NH3+])c1cc(C)oc1C ZINC000043611209 175079378 /nfs/dbraw/zinc/07/93/78/175079378.db2.gz LVCMTQNOJGVTPC-OAHLLOKOSA-N 1 1 261.321 2.962 10 0 CFAEMO CCOC(=O)[C@@H](C)C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000043615268 175079631 /nfs/dbraw/zinc/07/96/31/175079631.db2.gz LKHSFMDUVXIMOW-MELADBBJSA-N 1 1 253.386 2.698 10 0 CFAEMO CC(C)(C)OC[C@@H](O)C[N@@H+](Cc1ccccc1)C1CC1 ZINC000043646530 175084860 /nfs/dbraw/zinc/08/48/60/175084860.db2.gz JVUPFUBCSGXUHD-INIZCTEOSA-N 1 1 277.408 2.827 10 0 CFAEMO CCN1CCN(C[C@@H]([NH2+]C)c2c(C)cc(C)cc2C)CC1 ZINC000043805826 175107811 /nfs/dbraw/zinc/10/78/11/175107811.db2.gz OTLFTUOTPWPGLK-QGZVFWFLSA-N 1 1 289.467 2.510 10 0 CFAEMO CCC[NH2+][C@H]1CCCCCC[C@@H]1N1CCN(CC)CC1 ZINC000043806196 175108035 /nfs/dbraw/zinc/10/80/35/175108035.db2.gz BIXOYYJJRAASIB-IRXDYDNUSA-N 1 1 281.488 2.715 10 0 CFAEMO CCC[NH2+][C@H](CCC)[C@H](CC)N1CCN(CC)CC1 ZINC000043806238 175108589 /nfs/dbraw/zinc/10/85/89/175108589.db2.gz GFEFLCMVKAZMAP-CVEARBPZSA-N 1 1 269.477 2.571 10 0 CFAEMO CCN[C@H](C[NH+](CC)CC)c1ccc(OC)c(OC)c1 ZINC000043809372 175109705 /nfs/dbraw/zinc/10/97/05/175109705.db2.gz GVERLBACQIEKTQ-CQSZACIVSA-N 1 1 280.412 2.696 10 0 CFAEMO CCC[NH2+][C@H]1CCC2(C[C@H]1N1CCCCCC1)OCCO2 ZINC000043812306 175110637 /nfs/dbraw/zinc/11/06/37/175110637.db2.gz WRCTZFUIMRJMOP-JKSUJKDBSA-N 1 1 296.455 2.526 10 0 CFAEMO CN[C@H](C[NH+]1CCCCCC1)c1ccc(OC)cc1OC ZINC000043811994 175110975 /nfs/dbraw/zinc/11/09/75/175110975.db2.gz MGIYWQRXEGZKJY-MRXNPFEDSA-N 1 1 292.423 2.840 10 0 CFAEMO CN[C@H](C[N@@H+](C)C1CCCCC1)c1ccc2c(c1)OCO2 ZINC000043814990 175111761 /nfs/dbraw/zinc/11/17/61/175111761.db2.gz DIABPERMBDSZKT-OAHLLOKOSA-N 1 1 290.407 2.940 10 0 CFAEMO C[NH2+][C@H](CN(C)C1CCCCC1)c1ccc2c(c1)OCO2 ZINC000043814990 175111762 /nfs/dbraw/zinc/11/17/62/175111762.db2.gz DIABPERMBDSZKT-OAHLLOKOSA-N 1 1 290.407 2.940 10 0 CFAEMO CCCC[N@H+](CC)C[C@H](NC)c1ccc2c(c1)OCO2 ZINC000043817450 175112551 /nfs/dbraw/zinc/11/25/51/175112551.db2.gz KLMJXNQJTRSYMV-AWEZNQCLSA-N 1 1 278.396 2.798 10 0 CFAEMO CCCC[N@@H+](CC)C[C@H](NC)c1ccc2c(c1)OCO2 ZINC000043817450 175112552 /nfs/dbraw/zinc/11/25/52/175112552.db2.gz KLMJXNQJTRSYMV-AWEZNQCLSA-N 1 1 278.396 2.798 10 0 CFAEMO CCC[NH2+][C@@H](C)CCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000043817817 175113319 /nfs/dbraw/zinc/11/33/19/175113319.db2.gz KPSAMFWNJDGRTE-FUHWJXTLSA-N 1 1 289.467 2.753 10 0 CFAEMO CCCC[NH+](CCCC)[C@H]1CC2(CC[C@@H]1NC)OCCO2 ZINC000043819457 175114118 /nfs/dbraw/zinc/11/41/18/175114118.db2.gz PPXTVPFDYSJHTG-HOTGVXAUSA-N 1 1 298.471 2.772 10 0 CFAEMO CC[N@H+](C[C@@H](NC)c1ccc(OC)cc1)C(C)C ZINC000043824067 175114444 /nfs/dbraw/zinc/11/44/44/175114444.db2.gz GTLFDIJUASHBMY-OAHLLOKOSA-N 1 1 250.386 2.686 10 0 CFAEMO CC[N@@H+](C[C@@H](NC)c1ccc(OC)cc1)C(C)C ZINC000043824067 175114446 /nfs/dbraw/zinc/11/44/46/175114446.db2.gz GTLFDIJUASHBMY-OAHLLOKOSA-N 1 1 250.386 2.686 10 0 CFAEMO CN[C@H](C[N@@H+](C)C1CCCC1)c1ccccc1OC ZINC000043883584 175116060 /nfs/dbraw/zinc/11/60/60/175116060.db2.gz JVUXVDLVFBTDNP-OAHLLOKOSA-N 1 1 262.397 2.830 10 0 CFAEMO C[NH2+][C@H](CN(C)C1CCCC1)c1ccccc1OC ZINC000043883584 175116061 /nfs/dbraw/zinc/11/60/61/175116061.db2.gz JVUXVDLVFBTDNP-OAHLLOKOSA-N 1 1 262.397 2.830 10 0 CFAEMO CN[C@H](c1ccc(OC)cc1)[C@H](C)[N@H+](C)CC(C)C ZINC000043886616 175116466 /nfs/dbraw/zinc/11/64/66/175116466.db2.gz LFXJIXQGNDZNRK-BBRMVZONSA-N 1 1 264.413 2.932 10 0 CFAEMO CN[C@H](c1ccc(OC)cc1)[C@H](C)[N@@H+](C)CC(C)C ZINC000043886616 175116467 /nfs/dbraw/zinc/11/64/67/175116467.db2.gz LFXJIXQGNDZNRK-BBRMVZONSA-N 1 1 264.413 2.932 10 0 CFAEMO CN[C@H](C[N@H+](C)CC(C)C)c1ccc2c(c1)OCCCO2 ZINC000043886631 175117060 /nfs/dbraw/zinc/11/70/60/175117060.db2.gz CPJGGZHSCUGXEH-OAHLLOKOSA-N 1 1 292.423 2.696 10 0 CFAEMO CN[C@H](C[N@@H+](C)CC(C)C)c1ccc2c(c1)OCCCO2 ZINC000043886631 175117061 /nfs/dbraw/zinc/11/70/61/175117061.db2.gz CPJGGZHSCUGXEH-OAHLLOKOSA-N 1 1 292.423 2.696 10 0 CFAEMO CCC[N@H+](C[C@H](NC)c1cccc(OC)c1)C1CC1 ZINC000043885385 175117123 /nfs/dbraw/zinc/11/71/23/175117123.db2.gz WYDHPSGPQHZPLG-INIZCTEOSA-N 1 1 262.397 2.830 10 0 CFAEMO CCC[N@@H+](C[C@H](NC)c1cccc(OC)c1)C1CC1 ZINC000043885385 175117124 /nfs/dbraw/zinc/11/71/24/175117124.db2.gz WYDHPSGPQHZPLG-INIZCTEOSA-N 1 1 262.397 2.830 10 0 CFAEMO CCC[N@H+](CC)C[C@H](NC)c1ccc(OC)cc1 ZINC000043884341 175117134 /nfs/dbraw/zinc/11/71/34/175117134.db2.gz PUCUVKDBTRGQDF-HNNXBMFYSA-N 1 1 250.386 2.688 10 0 CFAEMO CCC[N@@H+](CC)C[C@H](NC)c1ccc(OC)cc1 ZINC000043884341 175117135 /nfs/dbraw/zinc/11/71/35/175117135.db2.gz PUCUVKDBTRGQDF-HNNXBMFYSA-N 1 1 250.386 2.688 10 0 CFAEMO CCC[NH2+][C@@H]1CCC2(C[C@@H]1N(CC)CC(C)C)OCCO2 ZINC000043888376 175117547 /nfs/dbraw/zinc/11/75/47/175117547.db2.gz CLOHWVKSNVUOJZ-CVEARBPZSA-N 1 1 298.471 2.628 10 0 CFAEMO CCN[C@@H](C[N@H+](C)CC(C)C)c1ccc(OC)cc1 ZINC000043886808 175117861 /nfs/dbraw/zinc/11/78/61/175117861.db2.gz SECGPKZXOHTZOA-INIZCTEOSA-N 1 1 264.413 2.934 10 0 CFAEMO CCN[C@@H](C[N@@H+](C)CC(C)C)c1ccc(OC)cc1 ZINC000043886808 175117862 /nfs/dbraw/zinc/11/78/62/175117862.db2.gz SECGPKZXOHTZOA-INIZCTEOSA-N 1 1 264.413 2.934 10 0 CFAEMO CN[C@@H](C[N@@H+](C)[C@@H](C)C1CC1)c1cc(OC)ccc1OC ZINC000043894710 175119186 /nfs/dbraw/zinc/11/91/86/175119186.db2.gz YRWHBXZNYBMIFO-LRDDRELGSA-N 1 1 292.423 2.695 10 0 CFAEMO C[NH2+][C@@H](CN(C)[C@@H](C)C1CC1)c1cc(OC)ccc1OC ZINC000043894710 175119187 /nfs/dbraw/zinc/11/91/87/175119187.db2.gz YRWHBXZNYBMIFO-LRDDRELGSA-N 1 1 292.423 2.695 10 0 CFAEMO CCN[C@@H](C[N@@H+]1CCC[C@@H]1C)c1ccc(OC)cc1 ZINC000043903084 175122974 /nfs/dbraw/zinc/12/29/74/175122974.db2.gz FVSVDEKXCDVKJP-BBRMVZONSA-N 1 1 262.397 2.830 10 0 CFAEMO CCN[C@@H](C[N@H+]1CCC[C@@H]1C)c1ccc(OC)cc1 ZINC000043903084 175122975 /nfs/dbraw/zinc/12/29/75/175122975.db2.gz FVSVDEKXCDVKJP-BBRMVZONSA-N 1 1 262.397 2.830 10 0 CFAEMO CN[C@H](c1ccc(OC)cc1)[C@H](C)[N@@H+]1CC[C@@H](C)C1 ZINC000043908257 175123312 /nfs/dbraw/zinc/12/33/12/175123312.db2.gz LJLRZUPBYMALFZ-WWGRRREGSA-N 1 1 262.397 2.686 10 0 CFAEMO CN[C@H](c1ccc(OC)cc1)[C@H](C)[N@H+]1CC[C@@H](C)C1 ZINC000043908257 175123313 /nfs/dbraw/zinc/12/33/13/175123313.db2.gz LJLRZUPBYMALFZ-WWGRRREGSA-N 1 1 262.397 2.686 10 0 CFAEMO CCC[NH2+][C@@H]1CCCC[C@H]1N(CCOC)CC(C)C ZINC000043970514 175130907 /nfs/dbraw/zinc/13/09/07/175130907.db2.gz HANBAUOKUBUUNO-HZPDHXFCSA-N 1 1 270.461 2.902 10 0 CFAEMO CCN[C@H]1c2ccccc2C[C@@H]1[N@H+](CCOC)CC(C)C ZINC000043970421 175131180 /nfs/dbraw/zinc/13/11/80/175131180.db2.gz MGWYIXRDYAPZBG-ROUUACIJSA-N 1 1 290.451 2.866 10 0 CFAEMO CCN[C@H]1c2ccccc2C[C@@H]1[N@@H+](CCOC)CC(C)C ZINC000043970421 175131182 /nfs/dbraw/zinc/13/11/82/175131182.db2.gz MGWYIXRDYAPZBG-ROUUACIJSA-N 1 1 290.451 2.866 10 0 CFAEMO CCN[C@H]1c2ccccc2C[C@H]1[N@H+](CCOC)CC(C)C ZINC000043970425 175131280 /nfs/dbraw/zinc/13/12/80/175131280.db2.gz MGWYIXRDYAPZBG-MSOLQXFVSA-N 1 1 290.451 2.866 10 0 CFAEMO CCN[C@H]1c2ccccc2C[C@H]1[N@@H+](CCOC)CC(C)C ZINC000043970425 175131281 /nfs/dbraw/zinc/13/12/81/175131281.db2.gz MGWYIXRDYAPZBG-MSOLQXFVSA-N 1 1 290.451 2.866 10 0 CFAEMO CN[C@@H](C[N@@H+](CC1CC1)C(C)C)c1ccc2c(c1)OCO2 ZINC000043974292 175132659 /nfs/dbraw/zinc/13/26/59/175132659.db2.gz RGILQRATYHGRKC-HNNXBMFYSA-N 1 1 290.407 2.796 10 0 CFAEMO C[NH2+][C@@H](CN(CC1CC1)C(C)C)c1ccc2c(c1)OCO2 ZINC000043974292 175132660 /nfs/dbraw/zinc/13/26/60/175132660.db2.gz RGILQRATYHGRKC-HNNXBMFYSA-N 1 1 290.407 2.796 10 0 CFAEMO CC[NH2+][C@@H]1CCCC[C@H]1N(CCOC)[C@@H](C)C1CC1 ZINC000043977725 175133222 /nfs/dbraw/zinc/13/32/22/175133222.db2.gz OYNYBYIIZVYJJK-NUEKZKHPSA-N 1 1 268.445 2.654 10 0 CFAEMO CCc1ccc([C@@H](O)[C@H](C)[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000044121483 175143036 /nfs/dbraw/zinc/14/30/36/175143036.db2.gz ZMSINLKXNASKPY-KSSFIOAISA-N 1 1 290.451 2.697 10 0 CFAEMO CCCOc1ccc([C@H](O)C[N@@H+](C)CCC)cc1 ZINC000044127557 175144266 /nfs/dbraw/zinc/14/42/66/175144266.db2.gz CHPAYKASAQRANO-OAHLLOKOSA-N 1 1 251.370 2.851 10 0 CFAEMO CC[N@@H+](CC(C)C)C[C@@H](O)c1ccccc1OC ZINC000044126790 175144414 /nfs/dbraw/zinc/14/44/14/175144414.db2.gz SOMKJRWBIRYWKI-CQSZACIVSA-N 1 1 251.370 2.707 10 0 CFAEMO CCC[N@@H+](C[C@@H](O)c1ccc(OC)cc1OC)C(C)C ZINC000044127103 175144458 /nfs/dbraw/zinc/14/44/58/175144458.db2.gz BNONICMNMKVWKN-OAHLLOKOSA-N 1 1 281.396 2.858 10 0 CFAEMO COc1ccc([C@@H](O)[C@H](C)[N@@H+](C)CC(C)C)cc1 ZINC000044129839 175144764 /nfs/dbraw/zinc/14/47/64/175144764.db2.gz GKHFBALLFYHDBF-WFASDCNBSA-N 1 1 251.370 2.705 10 0 CFAEMO CCc1ccc([C@H](O)[C@H](C)[NH+]2CCN(C(C)C)CC2)cc1 ZINC000044132887 175145112 /nfs/dbraw/zinc/14/51/12/175145112.db2.gz XMNVMSBEMABYBK-MAUKXSAKSA-N 1 1 290.451 2.697 10 0 CFAEMO C[C@@H]([C@@H](O)c1ccccc1)[N@@H+](C)Cc1ccncc1 ZINC000044134056 175145332 /nfs/dbraw/zinc/14/53/32/175145332.db2.gz LHTIERSBEVULIK-XJKSGUPXSA-N 1 1 256.349 2.636 10 0 CFAEMO CCC(CC)[N@@H+](C)C[C@H](O)c1cc(OC)ccc1OC ZINC000044134284 175145407 /nfs/dbraw/zinc/14/54/07/175145407.db2.gz YAOJDUSMABAAIE-HNNXBMFYSA-N 1 1 281.396 2.858 10 0 CFAEMO Cc1ccc([C@H](O)C[N@H+](C)Cc2ccncc2)c(C)c1 ZINC000044134100 175145603 /nfs/dbraw/zinc/14/56/03/175145603.db2.gz ATBYJURGRBFTMZ-QGZVFWFLSA-N 1 1 270.376 2.864 10 0 CFAEMO CCOc1ccccc1[C@@H](O)C[N@@H+](C)[C@@H](C)C1CC1 ZINC000044133346 175145664 /nfs/dbraw/zinc/14/56/64/175145664.db2.gz OPODDMASDPWRPJ-WFASDCNBSA-N 1 1 263.381 2.849 10 0 CFAEMO Cc1ccc([C@H](O)[C@@H](C)[N@H+]2CCOC(C)(C)C2)cc1 ZINC000044159939 175146817 /nfs/dbraw/zinc/14/68/17/175146817.db2.gz OIRDOOHBQMQPPT-UKRRQHHQSA-N 1 1 263.381 2.528 10 0 CFAEMO CC[C@@H]([C@H](O)c1ccccc1)[N@H+]1CCOC(C)(C)C1 ZINC000044159887 175147112 /nfs/dbraw/zinc/14/71/12/175147112.db2.gz SXYSPLUJEOSLBO-LSDHHAIUSA-N 1 1 263.381 2.609 10 0 CFAEMO Cc1ccc([C@@H](O)C[N@H+](C)C[C@@H]2CCCCO2)c(C)c1 ZINC000044165435 175148156 /nfs/dbraw/zinc/14/81/56/175148156.db2.gz IIRJIMOZCHJGRV-RDJZCZTQSA-N 1 1 277.408 2.838 10 0 CFAEMO COCC[N@@H+](CC(C)C)[C@H]1CCCCCC[C@@H]1O ZINC000044165801 175148221 /nfs/dbraw/zinc/14/82/21/175148221.db2.gz JCOUZTVHLXYHQP-GJZGRUSLSA-N 1 1 257.418 2.675 10 0 CFAEMO CCc1ccc([C@H](O)[C@H](C)[N@@H+](C)[C@@H](C)COC)cc1 ZINC000044167160 175148558 /nfs/dbraw/zinc/14/85/58/175148558.db2.gz ICSSETOLHDQHHA-HEHGZKQESA-N 1 1 265.397 2.638 10 0 CFAEMO CCc1ccc([C@H](O)[C@@H](C)[N@@H+](CCOC)C2CC2)cc1 ZINC000044172221 175149007 /nfs/dbraw/zinc/14/90/07/175149007.db2.gz POLFTOUDAUUXOK-CXAGYDPISA-N 1 1 277.408 2.782 10 0 CFAEMO CC[C@H](C)[N@@H+](CCOC)Cc1cc([C@@H](C)O)ccc1OC ZINC000044175083 175150300 /nfs/dbraw/zinc/15/03/00/175150300.db2.gz VGDDHNLULYGDFC-UONOGXRCSA-N 1 1 295.423 2.995 10 0 CFAEMO CCC1CCC([N@@H+](C)[C@H]2CC3(CC[C@@H]2O)OCCO3)CC1 ZINC000044178391 175150612 /nfs/dbraw/zinc/15/06/12/175150612.db2.gz IGEYXIGVLDXULN-CKUJCDMFSA-N 1 1 297.439 2.544 10 0 CFAEMO CC(C)[N@@H+](CC1CC1)[C@@H]1COc2ccccc2[C@@H]1O ZINC000044178495 175150870 /nfs/dbraw/zinc/15/08/70/175150870.db2.gz NQYABOIHRIXUAP-ZBFHGGJFSA-N 1 1 261.365 2.601 10 0 CFAEMO CC[N@H+]1CCC[C@H](Nc2cccc(C(F)(F)F)n2)C1 ZINC000044271596 175158436 /nfs/dbraw/zinc/15/84/36/175158436.db2.gz LZIMBOVFIGDMDF-JTQLQIEISA-N 1 1 273.302 2.997 10 0 CFAEMO C[N@H+]1CCC[C@@H]1CCOc1ccc(N)cc1Cl ZINC000044353387 175166857 /nfs/dbraw/zinc/16/68/57/175166857.db2.gz CQEKVTBYAFWDGO-LLVKDONJSA-N 1 1 254.761 2.785 10 0 CFAEMO CC(C)[N@@H+](CCC(N)=S)Cc1cccc(F)c1 ZINC000044414961 175172983 /nfs/dbraw/zinc/17/29/83/175172983.db2.gz SMMFBSCQGXYXMB-UHFFFAOYSA-N 1 1 254.374 2.712 10 0 CFAEMO C[C@@H](C(N)=S)[N@@H+](C)Cc1ccccc1Br ZINC000044427336 175175100 /nfs/dbraw/zinc/17/51/00/175175100.db2.gz NHKSUBMLRMWVOT-QMMMGPOBSA-N 1 1 287.226 2.556 10 0 CFAEMO C[N@@H+]1CCC[C@@H](CNCc2ccccc2N2CCCC2)C1 ZINC000044533193 175197429 /nfs/dbraw/zinc/19/74/29/175197429.db2.gz LGOLUYWNSPERKG-INIZCTEOSA-N 1 1 287.451 2.718 10 0 CFAEMO C[N@H+]1CCC[C@@H](CNCc2ccccc2N2CCCC2)C1 ZINC000044533193 175197430 /nfs/dbraw/zinc/19/74/30/175197430.db2.gz LGOLUYWNSPERKG-INIZCTEOSA-N 1 1 287.451 2.718 10 0 CFAEMO CN1CCC[C@@H](C[NH2+]Cc2ccccc2N2CCCC2)C1 ZINC000044533193 175197431 /nfs/dbraw/zinc/19/74/31/175197431.db2.gz LGOLUYWNSPERKG-INIZCTEOSA-N 1 1 287.451 2.718 10 0 CFAEMO C[N@H+]1CCC[C@H](CNc2c(N)cccc2Cl)C1 ZINC000044535807 175198204 /nfs/dbraw/zinc/19/82/04/175198204.db2.gz ULVLKKLPUBQBQR-SNVBAGLBSA-N 1 1 253.777 2.676 10 0 CFAEMO C[N@H+]1CCC[C@@H](CNc2ccc(N)c(OC(C)(C)C)n2)C1 ZINC000044535503 175198461 /nfs/dbraw/zinc/19/84/61/175198461.db2.gz LHAFWSMQFABUDC-LBPRGKRZSA-N 1 1 292.427 2.595 10 0 CFAEMO C[N@@H+]1CCCC[C@H]1CNCc1cc2c(c(Cl)c1)OCO2 ZINC000044561380 175205194 /nfs/dbraw/zinc/20/51/94/175205194.db2.gz QSDWDTDQGIALPX-LBPRGKRZSA-N 1 1 296.798 2.643 10 0 CFAEMO C[N@H+]1CCCC[C@H]1CNCc1cc2c(c(Cl)c1)OCO2 ZINC000044561380 175205195 /nfs/dbraw/zinc/20/51/95/175205195.db2.gz QSDWDTDQGIALPX-LBPRGKRZSA-N 1 1 296.798 2.643 10 0 CFAEMO C[C@H](NC[C@H]1CCCC[N@@H+]1C)c1ccccc1F ZINC000044561919 175206173 /nfs/dbraw/zinc/20/61/73/175206173.db2.gz OSINVMSGHWORFR-QWHCGFSZSA-N 1 1 250.361 2.961 10 0 CFAEMO C[C@H](NC[C@H]1CCCC[N@H+]1C)c1ccccc1F ZINC000044561919 175206175 /nfs/dbraw/zinc/20/61/75/175206175.db2.gz OSINVMSGHWORFR-QWHCGFSZSA-N 1 1 250.361 2.961 10 0 CFAEMO Nc1cc(Br)ccc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044688977 175232670 /nfs/dbraw/zinc/23/26/70/175232670.db2.gz BAUZGNUKWVFUTN-SNVBAGLBSA-N 1 1 296.212 2.680 10 0 CFAEMO Nc1nc2cccc(Cl)c2n1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044726527 175238508 /nfs/dbraw/zinc/23/85/08/175238508.db2.gz RJQBDZDRMCUWDJ-SNVBAGLBSA-N 1 1 276.771 2.681 10 0 CFAEMO Nc1nc2cccc(Cl)c2n1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044726527 175238510 /nfs/dbraw/zinc/23/85/10/175238510.db2.gz RJQBDZDRMCUWDJ-SNVBAGLBSA-N 1 1 276.771 2.681 10 0 CFAEMO CCOC[C@@H](C)Nc1c(C(N)=S)c[nH+]c2ccccc21 ZINC000044727905 175239273 /nfs/dbraw/zinc/23/92/73/175239273.db2.gz NBKYTWYONWVKDB-SNVBAGLBSA-N 1 1 289.404 2.706 10 0 CFAEMO Cc1cc([C@@H](C)[NH2+]Cc2ccc(C(N)=O)cc2F)c(C)o1 ZINC000044730589 175240220 /nfs/dbraw/zinc/24/02/20/175240220.db2.gz XJJVMDSGCXDXCI-SNVBAGLBSA-N 1 1 290.338 2.985 10 0 CFAEMO C[C@@H](CCN(C)C)[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000044747568 175243120 /nfs/dbraw/zinc/24/31/20/175243120.db2.gz ZCUYKNZDTHHESG-BLLLJJGKSA-N 1 1 262.397 2.699 10 0 CFAEMO CCC[N@H+]1CCC[C@H]([C@@H](C)NCc2cc(C)no2)C1 ZINC000044986360 175284315 /nfs/dbraw/zinc/28/43/15/175284315.db2.gz ZNYAGJXAPGEUPY-KGLIPLIRSA-N 1 1 265.401 2.583 10 0 CFAEMO O[C@@H](C[N@@H+](Cc1ccco1)C1CC1)c1ccccc1 ZINC000045004976 175287860 /nfs/dbraw/zinc/28/78/60/175287860.db2.gz GIMWXUFYFLRNAS-INIZCTEOSA-N 1 1 257.333 2.978 10 0 CFAEMO C[N@@H+](CC(=O)Nc1ccc(Cl)c(N)c1)CC(C)(C)C ZINC000045064466 175299199 /nfs/dbraw/zinc/29/91/99/175299199.db2.gz LTKJFZGUGOWMIO-UHFFFAOYSA-N 1 1 283.803 2.839 10 0 CFAEMO COc1cc(N)ccc1NC(=O)CC[N@@H+](C)CC(C)(C)C ZINC000045064850 175299424 /nfs/dbraw/zinc/29/94/24/175299424.db2.gz VTIRJPHRESYNSJ-UHFFFAOYSA-N 1 1 293.411 2.584 10 0 CFAEMO Nc1cccc(NC(=O)C[N@H+]2CCC[C@H]2C2CCCC2)c1 ZINC000045066487 175299495 /nfs/dbraw/zinc/29/94/95/175299495.db2.gz LWBSOHGGMLOBMF-INIZCTEOSA-N 1 1 287.407 2.862 10 0 CFAEMO C[N@H+](CC(C)(C)C)[C@@H](CN)c1ccc2c(c1)CCO2 ZINC000045069993 175300560 /nfs/dbraw/zinc/30/05/60/175300560.db2.gz CAOGXZPXEAEZQA-AWEZNQCLSA-N 1 1 262.397 2.599 10 0 CFAEMO C[N@@H+](CC(C)(C)C)[C@@H](CN)c1ccc2c(c1)CCO2 ZINC000045069993 175300561 /nfs/dbraw/zinc/30/05/61/175300561.db2.gz CAOGXZPXEAEZQA-AWEZNQCLSA-N 1 1 262.397 2.599 10 0 CFAEMO CN(CC(C)(C)C)[C@]1(C[NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC000045070745 175301298 /nfs/dbraw/zinc/30/12/98/175301298.db2.gz IJYFIJLTGZKCAE-SFHVURJKSA-N 1 1 289.467 2.568 10 0 CFAEMO C[N@H+](CC(C)(C)C)[C@]1(CN)CCN(Cc2ccccc2)C1 ZINC000045070745 175301300 /nfs/dbraw/zinc/30/13/00/175301300.db2.gz IJYFIJLTGZKCAE-SFHVURJKSA-N 1 1 289.467 2.568 10 0 CFAEMO C[N@@H+](CC(C)(C)C)[C@]1(CN)CCN(Cc2ccccc2)C1 ZINC000045070745 175301302 /nfs/dbraw/zinc/30/13/02/175301302.db2.gz IJYFIJLTGZKCAE-SFHVURJKSA-N 1 1 289.467 2.568 10 0 CFAEMO C[N@@H+](C[C@@H](N)c1ccc2c(c1)OCCCO2)CC(C)(C)C ZINC000045072567 175301805 /nfs/dbraw/zinc/30/18/05/175301805.db2.gz BXDZPTAKCASAJQ-CQSZACIVSA-N 1 1 292.423 2.826 10 0 CFAEMO CN(C[C@@H]([NH3+])c1ccc2c(c1)OCCCO2)CC(C)(C)C ZINC000045072567 175301806 /nfs/dbraw/zinc/30/18/06/175301806.db2.gz BXDZPTAKCASAJQ-CQSZACIVSA-N 1 1 292.423 2.826 10 0 CFAEMO C[N@@H+](Cc1cc(C(N)=S)ccc1F)CC(C)(C)C ZINC000045073792 175302690 /nfs/dbraw/zinc/30/26/90/175302690.db2.gz ZEZKGCMIYBIOFP-UHFFFAOYSA-N 1 1 268.401 2.938 10 0 CFAEMO COc1ccc([C@@H](O)C[N@@H+](C)CC(C)(C)C)cc1OC ZINC000045087232 175304196 /nfs/dbraw/zinc/30/41/96/175304196.db2.gz DPVHSXVZOIITPN-ZDUSSCGKSA-N 1 1 281.396 2.715 10 0 CFAEMO COc1ccccc1[C@@H](O)C[N@@H+](C)CC(C)(C)C ZINC000045087326 175304365 /nfs/dbraw/zinc/30/43/65/175304365.db2.gz OMJJYYPCRAKZOF-ZDUSSCGKSA-N 1 1 251.370 2.707 10 0 CFAEMO Cn1ccnc1[C@@H]([NH2+][C@@H]1CC1(C)C)c1cccs1 ZINC000045117248 175311569 /nfs/dbraw/zinc/31/15/69/175311569.db2.gz IICIQIQMOZMDRU-NEPJUHHUSA-N 1 1 261.394 2.959 10 0 CFAEMO CC(C)c1n[nH]c(=S)n1C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000045135886 175313414 /nfs/dbraw/zinc/31/34/14/175313414.db2.gz IZSJTILTMBPEDS-LLVKDONJSA-N 1 1 268.430 2.794 10 0 CFAEMO C[C@H](C(N)=S)[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000045147207 175317215 /nfs/dbraw/zinc/31/72/15/175317215.db2.gz YXQLIFKFUXCFPX-MRVPVSSYSA-N 1 1 276.327 2.812 10 0 CFAEMO C[C@@H](C(N)=S)[N@@H+](C)Cc1ccc(Br)s1 ZINC000045147106 175317242 /nfs/dbraw/zinc/31/72/42/175317242.db2.gz NQSGMQMDTHWMTK-LURJTMIESA-N 1 1 293.255 2.617 10 0 CFAEMO C[C@H](C(N)=S)[N@H+](C)Cc1sccc1Br ZINC000045147223 175317279 /nfs/dbraw/zinc/31/72/79/175317279.db2.gz XBELDZRFPNVBLF-ZCFIWIBFSA-N 1 1 293.255 2.617 10 0 CFAEMO C[C@H](C(N)=S)[N@@H+](C)Cc1sccc1Br ZINC000045147223 175317280 /nfs/dbraw/zinc/31/72/80/175317280.db2.gz XBELDZRFPNVBLF-ZCFIWIBFSA-N 1 1 293.255 2.617 10 0 CFAEMO CCCN1CCC([NH2+][C@H](C)c2c(C)nn(C)c2C)CC1 ZINC000045168758 175319830 /nfs/dbraw/zinc/31/98/30/175319830.db2.gz OMBDUHGBCMSGNX-GFCCVEGCSA-N 1 1 278.444 2.562 10 0 CFAEMO COc1ccc2cc([C@@H]([NH3+])c3c(C)nn(C)c3C)oc2c1 ZINC000045168932 175320028 /nfs/dbraw/zinc/32/00/28/175320028.db2.gz JBGCYNGCVBLVEW-MRXNPFEDSA-N 1 1 285.347 2.840 10 0 CFAEMO Cc1nn(C)c(C)c1[C@@H](C)N[C@H](CC(C)C)C[NH+](C)C ZINC000045171307 175320810 /nfs/dbraw/zinc/32/08/10/175320810.db2.gz HYKZLHYFHCOFRH-IUODEOHRSA-N 1 1 280.460 2.664 10 0 CFAEMO CCCC[N@@H+](CC)C[C@](N)(C(=O)OCC)c1ccccc1 ZINC000045223207 175331261 /nfs/dbraw/zinc/33/12/61/175331261.db2.gz JOLCUIXHULORMY-QGZVFWFLSA-N 1 1 292.423 2.526 10 0 CFAEMO CCN[C@](C)(C[N@@H+](CC)C1CCCCC1)C(=O)OCC ZINC000045224054 175331845 /nfs/dbraw/zinc/33/18/45/175331845.db2.gz XSOLNRQFHQHSED-MRXNPFEDSA-N 1 1 284.444 2.572 10 0 CFAEMO CCOC(=O)[C@@](C)(C[N@@H+](C)C1CCCCC1)NC(C)C ZINC000045231182 175334793 /nfs/dbraw/zinc/33/47/93/175334793.db2.gz FEQRPVJKAOKGOG-MRXNPFEDSA-N 1 1 284.444 2.571 10 0 CFAEMO CCOC(=O)[C@@](C)(CC[N@@H+](C)C(CC)CC)NC1CC1 ZINC000045269763 175341878 /nfs/dbraw/zinc/34/18/78/175341878.db2.gz UHUBBNIAUGGEEN-MRXNPFEDSA-N 1 1 284.444 2.571 10 0 CFAEMO COC(=O)[C@@](C)(C[N@@H+](C)C1CCCCCC1)NC(C)C ZINC000045271929 175342430 /nfs/dbraw/zinc/34/24/30/175342430.db2.gz DUGZTVMVBZPBIH-MRXNPFEDSA-N 1 1 284.444 2.571 10 0 CFAEMO CCN[C@](C)(CC[N@@H+](C)C1CCCCCC1)C(=O)OCC ZINC000045271997 175342810 /nfs/dbraw/zinc/34/28/10/175342810.db2.gz YAXFOBHZXYNRRH-QGZVFWFLSA-N 1 1 298.471 2.962 10 0 CFAEMO CCCC[N@@H+](CC[C@](C)(NCC)C(=O)OCC)C1CC1 ZINC000045276351 175346706 /nfs/dbraw/zinc/34/67/06/175346706.db2.gz RWEMDPJEWHLNIJ-INIZCTEOSA-N 1 1 284.444 2.572 10 0 CFAEMO CCCCC[N@@H+](CC[C@@](C)(NC)C(=O)OCC)C(C)C ZINC000045278628 175348369 /nfs/dbraw/zinc/34/83/69/175348369.db2.gz BSWPDRWHVBMVPM-MRXNPFEDSA-N 1 1 286.460 2.818 10 0 CFAEMO CCCCC[N@@H+](C[C@](C)(NCCC)C(=O)OC)C(C)C ZINC000045278571 175348547 /nfs/dbraw/zinc/34/85/47/175348547.db2.gz NFAUDPDLQNIBNJ-INIZCTEOSA-N 1 1 286.460 2.818 10 0 CFAEMO CCCCC[N@@H+](CC[C@@](C)(NCC)C(=O)OC)C(C)C ZINC000045278634 175349472 /nfs/dbraw/zinc/34/94/72/175349472.db2.gz PYRVZNJLPWTHDB-MRXNPFEDSA-N 1 1 286.460 2.818 10 0 CFAEMO CCOC(=O)[C@@](C)(CC[N@@H+](CC(C)C)C(C)C)NC1CC1 ZINC000045280792 175350900 /nfs/dbraw/zinc/35/09/00/175350900.db2.gz VARVOQLLHAIMCA-QGZVFWFLSA-N 1 1 298.471 2.817 10 0 CFAEMO CC(C)[NH2+][C@@](C)(CC[N@@H+](C)CC1CCCCC1)C(=O)[O-] ZINC000045281616 175353034 /nfs/dbraw/zinc/35/30/34/175353034.db2.gz QAVVUBXNKVRJQU-INIZCTEOSA-N 1 1 284.444 2.730 10 0 CFAEMO CCCC[N@@H+](C)CCCC[C@@](C)(NCC)C(=O)OCC ZINC000045368237 175362823 /nfs/dbraw/zinc/36/28/23/175362823.db2.gz OMYHIQYLCJZNDI-MRXNPFEDSA-N 1 1 286.460 2.820 10 0 CFAEMO CCCC[N@@H+](CC)CCC[C@](C)(NCCC)C(=O)OC ZINC000045370716 175364027 /nfs/dbraw/zinc/36/40/27/175364027.db2.gz NKMOQAQXHKJZAW-INIZCTEOSA-N 1 1 286.460 2.820 10 0 CFAEMO CCCC[N@@H+](CC)CCC[C@](C)(NC(C)C)C(=O)OC ZINC000045370743 175364435 /nfs/dbraw/zinc/36/44/35/175364435.db2.gz CMDKMYHFTXMTQK-INIZCTEOSA-N 1 1 286.460 2.818 10 0 CFAEMO COC(=O)[C@](C)(CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(C)C ZINC000045373640 175365504 /nfs/dbraw/zinc/36/55/04/175365504.db2.gz QHBQLETUHPBMBN-UXLLHSPISA-N 1 1 298.471 2.674 10 0 CFAEMO CC(C)[NH2+][C@@](C)(CCCC[N@H+]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000045377159 175367205 /nfs/dbraw/zinc/36/72/05/175367205.db2.gz ULMJIHYYVBRDGA-ZBFHGGJFSA-N 1 1 284.444 2.730 10 0 CFAEMO CCOC(=O)[C@@](C)(CCCC[N@@H+](C)C(C)C)NC(C)C ZINC000045378001 175367368 /nfs/dbraw/zinc/36/73/68/175367368.db2.gz YQXHIDINJSNHNR-MRXNPFEDSA-N 1 1 286.460 2.817 10 0 CFAEMO CC[NH2+][C@@](C)(CCCC[N@@H+]1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000045379540 175368184 /nfs/dbraw/zinc/36/81/84/175368184.db2.gz WJCISVVNBHRDQD-LZWOXQAQSA-N 1 1 284.444 2.872 10 0 CFAEMO COC(=O)[C@@](C)(CCC[N@@H+](C)C1CCCCC1)NC(C)C ZINC000045379165 175368477 /nfs/dbraw/zinc/36/84/77/175368477.db2.gz WWZIZDLRZKSDBK-QGZVFWFLSA-N 1 1 298.471 2.961 10 0 CFAEMO CCN[C@](C)(CCCC[N@@H+](CC)C(C)C)C(=O)OCC ZINC000045383669 175371360 /nfs/dbraw/zinc/37/13/60/175371360.db2.gz BGRFSVDYZNFJNL-MRXNPFEDSA-N 1 1 286.460 2.818 10 0 CFAEMO CCC[N@H+](CCCC[C@@](C)(N)C(=O)OCC)C(C)C ZINC000045385817 175371886 /nfs/dbraw/zinc/37/18/86/175371886.db2.gz IVTFHGCZKAOLDZ-OAHLLOKOSA-N 1 1 272.433 2.558 10 0 CFAEMO CCC[N@@H+](CCCC[C@@](C)(N)C(=O)OCC)C(C)C ZINC000045385817 175371887 /nfs/dbraw/zinc/37/18/87/175371887.db2.gz IVTFHGCZKAOLDZ-OAHLLOKOSA-N 1 1 272.433 2.558 10 0 CFAEMO CC[NH2+][C@@](C)(CCCC[N@@H+](CC)[C@@H](C)CC)C(=O)[O-] ZINC000045385206 175372159 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521259315 /nfs/dbraw/zinc/25/93/15/521259315.db2.gz VBLOOKVVBILVFZ-SECBINFHSA-N 1 1 294.203 2.976 10 0 CFAEMO CCN(C[C@H]1CCCO1)[C@@H](C)CC[NH2+]CC(C)C ZINC000052511183 521269923 /nfs/dbraw/zinc/26/99/23/521269923.db2.gz AWFFFBXPRFYGQK-LSDHHAIUSA-N 1 1 256.434 2.512 10 0 CFAEMO CCOc1ccc2nc(S[C@H](CC)C(N)=[NH2+])[nH]c2c1 ZINC000049834203 521308271 /nfs/dbraw/zinc/30/82/71/521308271.db2.gz ZUYYABWCUWQECK-LLVKDONJSA-N 1 1 278.381 2.768 10 0 CFAEMO CCC(C)(C)[N@@H+](C)[C@H](CN)c1ccc2c(c1)OCCO2 ZINC000069430319 521308744 /nfs/dbraw/zinc/30/87/44/521308744.db2.gz ROVLMYIYVLJQRQ-CYBMUJFWSA-N 1 1 278.396 2.578 10 0 CFAEMO CCC(C)(C)N(C)[C@H](C[NH3+])c1ccc2c(c1)OCCO2 ZINC000069430319 521308756 /nfs/dbraw/zinc/30/87/56/521308756.db2.gz ROVLMYIYVLJQRQ-CYBMUJFWSA-N 1 1 278.396 2.578 10 0 CFAEMO CCC(C)(C)[N@@H+](C)[C@@H](CN)c1ccc2c(c1)OCCO2 ZINC000069430315 521309395 /nfs/dbraw/zinc/30/93/95/521309395.db2.gz ROVLMYIYVLJQRQ-ZDUSSCGKSA-N 1 1 278.396 2.578 10 0 CFAEMO CCC(C)(C)N(C)[C@@H](C[NH3+])c1ccc2c(c1)OCCO2 ZINC000069430315 521309404 /nfs/dbraw/zinc/30/94/04/521309404.db2.gz ROVLMYIYVLJQRQ-ZDUSSCGKSA-N 1 1 278.396 2.578 10 0 CFAEMO CCC[C@]1(CNCCC(F)(F)F)CCC[NH2+]C1 ZINC000063101504 521313260 /nfs/dbraw/zinc/31/32/60/521313260.db2.gz ARJVUMPRCIYDJM-NSHDSACASA-N 1 1 252.324 2.698 10 0 CFAEMO CCC(CC)(c1nnc([C@H](C)[NH3+])[nH]1)c1ccccc1 ZINC000062784178 521480133 /nfs/dbraw/zinc/48/01/33/521480133.db2.gz FNEXDWUBMNMUSJ-NSHDSACASA-N 1 1 258.369 2.931 10 0 CFAEMO CCOc1ccccc1CN[C@@H](C[NH+](C)C)C(C)C ZINC000049195120 521504165 /nfs/dbraw/zinc/50/41/65/521504165.db2.gz XUCJDQVWIMGMCB-HNNXBMFYSA-N 1 1 264.413 2.761 10 0 CFAEMO CCC(CC)C[N@H+](CC)Cc1nnsc1NC ZINC000050815860 521519602 /nfs/dbraw/zinc/51/96/02/521519602.db2.gz YQVVXUIEVHAFLL-UHFFFAOYSA-N 1 1 256.419 2.838 10 0 CFAEMO CCC(CC)C[N@@H+](CC)Cc1nnsc1NC ZINC000050815860 521519610 /nfs/dbraw/zinc/51/96/10/521519610.db2.gz YQVVXUIEVHAFLL-UHFFFAOYSA-N 1 1 256.419 2.838 10 0 CFAEMO CCC(CC)[N@@H+](CCO)Cc1nnc(-c2cccs2)o1 ZINC000050112733 521552328 /nfs/dbraw/zinc/55/23/28/521552328.db2.gz RZOPKUKYYACLRL-UHFFFAOYSA-N 1 1 295.408 2.781 10 0 CFAEMO CC[N@H+]1CCC[C@@H](NC(=O)N[C@H](C)c2ccccc2)C1 ZINC000062641231 521621374 /nfs/dbraw/zinc/62/13/74/521621374.db2.gz PHSXUTSFWGEGEX-UKRRQHHQSA-N 1 1 275.396 2.531 10 0 CFAEMO CC[N@H+]1CCC[C@@H](NC(=O)c2cc(Cl)ccc2NC)C1 ZINC000050777727 521623105 /nfs/dbraw/zinc/62/31/05/521623105.db2.gz JCSZLZYTVIVXRK-GFCCVEGCSA-N 1 1 295.814 2.596 10 0 CFAEMO CC[N@H+]1CCC[C@H](Nc2ccc(C(N)=S)cc2Cl)C1 ZINC000062795526 521649724 /nfs/dbraw/zinc/64/97/24/521649724.db2.gz BUTHZIWCOXQKAO-NSHDSACASA-N 1 1 297.855 2.870 10 0 CFAEMO CCCn1ccc(CNCC[N@@H+](C)[C@@H](C)CC)c1 ZINC000233384301 521655965 /nfs/dbraw/zinc/65/59/65/521655965.db2.gz PPLODFOFTAWZIG-AWEZNQCLSA-N 1 1 251.418 2.718 10 0 CFAEMO CCCn1ccc(C[NH2+]CCN(C)[C@@H](C)CC)c1 ZINC000233384301 521655968 /nfs/dbraw/zinc/65/59/68/521655968.db2.gz PPLODFOFTAWZIG-AWEZNQCLSA-N 1 1 251.418 2.718 10 0 CFAEMO CC[N@H+]1CCC[C@H]1CNc1cccc(Cl)c1C(N)=S ZINC000052904181 521658406 /nfs/dbraw/zinc/65/84/06/521658406.db2.gz ZMSPLNXNNRUQEE-JTQLQIEISA-N 1 1 297.855 2.870 10 0 CFAEMO CCCN(Cc1ccccc1N)c1[nH+]ccn1CC ZINC000050614424 521687288 /nfs/dbraw/zinc/68/72/88/521687288.db2.gz VGDNTSJVQNZPIX-UHFFFAOYSA-N 1 1 258.369 2.902 10 0 CFAEMO CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@H](C)c1cccs1 ZINC000245394527 522057892 /nfs/dbraw/zinc/05/78/92/522057892.db2.gz FWTOTQSUNXUMAP-VXGBXAGGSA-N 1 1 283.441 2.839 10 0 CFAEMO CCc1csc([C@@H]2CCC[N@H+]([C@@H](C)COC)C2)n1 ZINC000173603501 522114889 /nfs/dbraw/zinc/11/48/89/522114889.db2.gz CMFZNYLDAFULGJ-NWDGAFQWSA-N 1 1 268.426 2.920 10 0 CFAEMO C[NH2+]Cc1oc2ccccc2c1CN1C[C@H](C)O[C@@H](C)C1 ZINC000052380395 522161778 /nfs/dbraw/zinc/16/17/78/522161778.db2.gz ZQZCNVNCQSMZJF-STQMWFEESA-N 1 1 288.391 2.761 10 0 CFAEMO COc1cc(C)c(C[N@H+]2CCC[C@H]2CCCO)cc1OC ZINC000070144442 522192108 /nfs/dbraw/zinc/19/21/08/522192108.db2.gz WMRIKTCRDZIMKO-HNNXBMFYSA-N 1 1 293.407 2.749 10 0 CFAEMO CCc1nc(C)c([C@@H](C)[NH2+][C@H]2CCCn3ncnc32)s1 ZINC000164642564 522226056 /nfs/dbraw/zinc/22/60/56/522226056.db2.gz DRAIOAQCZMBMGZ-KOLCDFICSA-N 1 1 291.424 2.791 10 0 CFAEMO CC[C@H](N)[C@H](c1ccccn1)[NH+]1CCC(C)(C)CC1 ZINC000061818531 522343707 /nfs/dbraw/zinc/34/37/07/522343707.db2.gz LSEMCXFDSDACBP-DZGCQCFKSA-N 1 1 261.413 2.982 10 0 CFAEMO C[NH2+][C@](C)(CCCC[N@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000045422325 522514788 /nfs/dbraw/zinc/51/47/88/522514788.db2.gz UAYPYRQAKPIQLB-NVXWUHKLSA-N 1 1 296.455 2.874 10 0 CFAEMO CCc1[nH+]ccn1-c1ccc(C(N)=S)c(Cl)c1 ZINC000061850345 522578545 /nfs/dbraw/zinc/57/85/45/522578545.db2.gz RPUXWQWEYZVVPK-UHFFFAOYSA-N 1 1 265.769 2.722 10 0 CFAEMO COC[C@H](C)[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000247455062 522598656 /nfs/dbraw/zinc/59/86/56/522598656.db2.gz HULFUJDXDWXAEC-NUEKZKHPSA-N 1 1 263.381 2.609 10 0 CFAEMO CNc1nc(C[N@@H+]2CCC[C@@H]2C)nc2sccc21 ZINC000050791657 522680896 /nfs/dbraw/zinc/68/08/96/522680896.db2.gz FLANMGVJUGWYFY-VIFPVBQESA-N 1 1 262.382 2.717 10 0 CFAEMO CNc1nc(C[N@H+]2CCC[C@@H]2C)nc2sccc21 ZINC000050791657 522680901 /nfs/dbraw/zinc/68/09/01/522680901.db2.gz FLANMGVJUGWYFY-VIFPVBQESA-N 1 1 262.382 2.717 10 0 CFAEMO C[N@@H+](CCCOCC(F)(F)F)Cc1cccc(N)c1 ZINC000049312620 522779305 /nfs/dbraw/zinc/77/93/05/522779305.db2.gz FGNZMMVGTOZDRG-UHFFFAOYSA-N 1 1 276.302 2.670 10 0 CFAEMO COc1cc2[nH+]c(C)c(C(C)C)c(NN)c2cc1OC ZINC000061687819 523064614 /nfs/dbraw/zinc/06/46/14/523064614.db2.gz BPKQAFCNOAXPBD-UHFFFAOYSA-N 1 1 275.352 2.969 10 0 CFAEMO CCn1c(C)nnc1C[N@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000246444165 523154580 /nfs/dbraw/zinc/15/45/80/523154580.db2.gz MHZSAIQIRPTRIG-CJNGLKHVSA-N 1 1 284.407 2.984 10 0 CFAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1CCc1ccc(OC)cc1 ZINC000246501406 523487964 /nfs/dbraw/zinc/48/79/64/523487964.db2.gz NDQOUJQVAFJUKL-SJORKVTESA-N 1 1 288.435 2.796 10 0 CFAEMO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cc2ccccc2nc1N ZINC000050817293 523508909 /nfs/dbraw/zinc/50/89/09/523508909.db2.gz GQQLOFUYNCTAGO-SWLSCSKDSA-N 1 1 285.391 2.816 10 0 CFAEMO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc2ccccc2nc1N ZINC000050817293 523508913 /nfs/dbraw/zinc/50/89/13/523508913.db2.gz GQQLOFUYNCTAGO-SWLSCSKDSA-N 1 1 285.391 2.816 10 0 CFAEMO CCn1ccnc1N(CCC[NH3+])c1ccc(C)cc1 ZINC000050607871 523548359 /nfs/dbraw/zinc/54/83/59/523548359.db2.gz AWTNGBDSGDQBQL-UHFFFAOYSA-N 1 1 258.369 2.698 10 0 CFAEMO C[N@@H+](Cc1nc2sccc2c(N)n1)C1CCCC1 ZINC000050812934 523572507 /nfs/dbraw/zinc/57/25/07/523572507.db2.gz TWZRSMCDVFAEMW-UHFFFAOYSA-N 1 1 262.382 2.648 10 0 CFAEMO COC(=O)[C@@H]1CCCC[N@H+]1CCCc1cccc(OC)c1 ZINC000158715105 523678367 /nfs/dbraw/zinc/67/83/67/523678367.db2.gz CYVAKQSHQQWZPQ-INIZCTEOSA-N 1 1 291.391 2.655 10 0 CFAEMO CC[C@@]1(C)CCC[N@H+](Cc2nnc(C3CC3)n2C)C1 ZINC000075998156 523708570 /nfs/dbraw/zinc/70/85/70/523708570.db2.gz ICIAGJCYJUAEDB-HNNXBMFYSA-N 1 1 262.401 2.705 10 0 CFAEMO CC[C@@]1(C)CCC[N@@H+](Cc2nnc(C3CC3)n2C)C1 ZINC000075998156 523708578 /nfs/dbraw/zinc/70/85/78/523708578.db2.gz ICIAGJCYJUAEDB-HNNXBMFYSA-N 1 1 262.401 2.705 10 0 CFAEMO CCc1cc(N[C@H]2COc3ccccc32)nc(C)[nH+]1 ZINC000088760445 523824805 /nfs/dbraw/zinc/82/48/05/523824805.db2.gz NMXMHUZKGHDVHG-ZDUSSCGKSA-N 1 1 255.321 2.893 10 0 CFAEMO CC[C@H](C)C[N@@H+](CC)C[C@H](O)COCc1ccccc1 ZINC000080833680 523878646 /nfs/dbraw/zinc/87/86/46/523878646.db2.gz MCECTXNCMAOXGS-RDJZCZTQSA-N 1 1 279.424 2.932 10 0 CFAEMO CN1CCN(CC2(C[NH2+]C(C)(C)C)CCCCC2)CC1 ZINC000051209186 523895406 /nfs/dbraw/zinc/89/54/06/523895406.db2.gz DVQYBVGHHRNALA-UHFFFAOYSA-N 1 1 281.488 2.572 10 0 CFAEMO C[N@H+]1CCN(CCC(C)(F)F)C2(CCCCC2)C1 ZINC000336192202 523895528 /nfs/dbraw/zinc/89/55/28/523895528.db2.gz DOCHOWZZZHMWNU-UHFFFAOYSA-N 1 1 260.372 2.982 10 0 CFAEMO COc1ccc(CC[N@H+]2C[C@@H]3CCCCN3C[C@@H]2C)cc1 ZINC000227361574 523951227 /nfs/dbraw/zinc/95/12/27/523951227.db2.gz UIHWKKHPZHRZCA-RDJZCZTQSA-N 1 1 288.435 2.796 10 0 CFAEMO COc1ccc(CCN2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)cc1 ZINC000227361574 523951231 /nfs/dbraw/zinc/95/12/31/523951231.db2.gz UIHWKKHPZHRZCA-RDJZCZTQSA-N 1 1 288.435 2.796 10 0 CFAEMO COc1ccc(CCN2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)cc1 ZINC000227361574 523951237 /nfs/dbraw/zinc/95/12/37/523951237.db2.gz UIHWKKHPZHRZCA-RDJZCZTQSA-N 1 1 288.435 2.796 10 0 CFAEMO COc1ccc(CN2CC[N@H+]3CCCC[C@H]3C2)cc1F ZINC000248341837 524034185 /nfs/dbraw/zinc/03/41/85/524034185.db2.gz JFIGMEBXAIKCKE-AWEZNQCLSA-N 1 1 278.371 2.504 10 0 CFAEMO Cc1cc(C)cc(OCCC[N@H+]2CC[C@@H](CCO)C2)c1 ZINC000227576596 524445630 /nfs/dbraw/zinc/44/56/30/524445630.db2.gz AIVXWNGMAYQTLS-INIZCTEOSA-N 1 1 277.408 2.777 10 0 CFAEMO C[C@H]1C[N@@H+](CCCc2ccc3c(c2)CCO3)CCS1 ZINC000193245379 524594695 /nfs/dbraw/zinc/59/46/95/524594695.db2.gz WXSPADSREVSYCJ-ZDUSSCGKSA-N 1 1 277.433 2.991 10 0 CFAEMO C[C@@H](C[NH+]1CCCC1)n1c(N)nc2cccc(Cl)c21 ZINC000049185005 524596053 /nfs/dbraw/zinc/59/60/53/524596053.db2.gz BWFKUPNHGKOSJF-JTQLQIEISA-N 1 1 278.787 2.929 10 0 CFAEMO C[C@H]1C[NH+](Cc2ccc3ccccc3n2)C[C@H](C)O1 ZINC000072815764 524624451 /nfs/dbraw/zinc/62/44/51/524624451.db2.gz GXDZMFLFSCLQDE-STQMWFEESA-N 1 1 256.349 2.844 10 0 CFAEMO COc1ccc(NCC[C@@H]2CCCC[N@H+]2C)cc1OC ZINC000052205253 524678205 /nfs/dbraw/zinc/67/82/05/524678205.db2.gz SLQSULREQZYVFM-AWEZNQCLSA-N 1 1 278.396 2.990 10 0 CFAEMO Cc1cccc(OCC[NH+]2CCC(c3ccn[nH]3)CC2)c1 ZINC000195506580 524738587 /nfs/dbraw/zinc/73/85/87/524738587.db2.gz CHKGSRWQQIEGGW-UHFFFAOYSA-N 1 1 285.391 2.977 10 0 CFAEMO C[C@H](Cc1ccco1)[NH2+]CC[C@@H](N)c1ccccc1 ZINC000049147239 524747513 /nfs/dbraw/zinc/74/75/13/524747513.db2.gz KGHNWBNNPPRBQC-CZUORRHYSA-N 1 1 258.365 2.890 10 0 CFAEMO Cc1ccc(F)c(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000246274051 524823162 /nfs/dbraw/zinc/82/31/62/524823162.db2.gz ATCUKZCEVUYMDZ-IUODEOHRSA-N 1 1 293.386 2.984 10 0 CFAEMO C[C@@H](Cc1ccco1)[NH2+]CC[C@H](N)c1ccccc1 ZINC000049147236 524928776 /nfs/dbraw/zinc/92/87/76/524928776.db2.gz KGHNWBNNPPRBQC-BBRMVZONSA-N 1 1 258.365 2.890 10 0 CFAEMO C[C@@H]1C[N@H+](Cc2cc3ccccc3nc2N)CC(C)(C)O1 ZINC000050816300 524986508 /nfs/dbraw/zinc/98/65/08/524986508.db2.gz LNBZQODQXKPMFZ-GFCCVEGCSA-N 1 1 285.391 2.816 10 0 CFAEMO C[C@@H]1C[N@@H+](Cc2cc3ccccc3nc2N)CC(C)(C)O1 ZINC000050816300 524986518 /nfs/dbraw/zinc/98/65/18/524986518.db2.gz LNBZQODQXKPMFZ-GFCCVEGCSA-N 1 1 285.391 2.816 10 0 CFAEMO Cc1cc(F)ccc1[C@@H](CN)[N@H+](C)CCc1ccncc1 ZINC000050578681 525003278 /nfs/dbraw/zinc/00/32/78/525003278.db2.gz ZUUCDWOOOAHHPT-QGZVFWFLSA-N 1 1 287.382 2.703 10 0 CFAEMO Cc1cc(F)ccc1[C@@H](CN)[N@@H+](C)CCc1ccncc1 ZINC000050578681 525003291 /nfs/dbraw/zinc/00/32/91/525003291.db2.gz ZUUCDWOOOAHHPT-QGZVFWFLSA-N 1 1 287.382 2.703 10 0 CFAEMO Cc1ccccc1C[N@@H+](C)CCCCC(N)=S ZINC000049582748 525127852 /nfs/dbraw/zinc/12/78/52/525127852.db2.gz DBTBYSICARAPCT-UHFFFAOYSA-N 1 1 250.411 2.883 10 0 CFAEMO Cc1ccc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)s1 ZINC000150850874 525175289 /nfs/dbraw/zinc/17/52/89/525175289.db2.gz GTAJQAKCRUJPNZ-CMPLNLGQSA-N 1 1 281.425 2.907 10 0 CFAEMO COc1ccc([C@@H](CN)[NH+]2CCCCCC2)cc1C ZINC000050596425 525180384 /nfs/dbraw/zinc/18/03/84/525180384.db2.gz UZLYBFWBFNHZCH-OAHLLOKOSA-N 1 1 262.397 2.879 10 0 CFAEMO Cc1ccccc1NC(=O)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195506903 525235383 /nfs/dbraw/zinc/23/53/83/525235383.db2.gz GTVCRGKEFDGUQT-UHFFFAOYSA-N 1 1 298.390 2.536 10 0 CFAEMO Cc1ccccc1OCC[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195513435 525297217 /nfs/dbraw/zinc/29/72/17/525297217.db2.gz ADUGWBGHZLZBEL-UHFFFAOYSA-N 1 1 285.391 2.977 10 0 CFAEMO COc1ccc([C@H](C)N[C@H](C)C[NH+]2CCCC2)cc1F ZINC000049149779 525334525 /nfs/dbraw/zinc/33/45/25/525334525.db2.gz ADWSEUMTTVKZNM-OLZOCXBDSA-N 1 1 280.387 2.969 10 0 CFAEMO Cc1ccc(OCC[N@H+]2CCC[C@@H]2CCCO)cc1 ZINC000052762079 525418314 /nfs/dbraw/zinc/41/83/14/525418314.db2.gz KQTBFHPSZQONMF-OAHLLOKOSA-N 1 1 263.381 2.611 10 0 CFAEMO CSCC[N@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000171634641 525506137 /nfs/dbraw/zinc/50/61/37/525506137.db2.gz KFSBFSQGIKRCAZ-LBPRGKRZSA-N 1 1 253.415 2.537 10 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ZINC000616649851 352398372 /nfs/dbraw/zinc/39/83/72/352398372.db2.gz LPDCIZNWPSHTEK-INIZCTEOSA-N 1 1 271.364 2.802 10 0 CFAEMO c1onnc1[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000616650485 352398438 /nfs/dbraw/zinc/39/84/38/352398438.db2.gz FMKGDYORMYDMQR-CQSZACIVSA-N 1 1 257.337 2.839 10 0 CFAEMO CCOC(=O)[C@H]1c2ccccc2CC[N@@H+]1C(C)(C)C ZINC000616678764 352409041 /nfs/dbraw/zinc/40/90/41/352409041.db2.gz LUYFRARMHRHPRP-CQSZACIVSA-N 1 1 261.365 2.947 10 0 CFAEMO CCOC(=O)[C@H]1c2ccccc2CC[N@H+]1C(C)(C)C ZINC000616678764 352409042 /nfs/dbraw/zinc/40/90/42/352409042.db2.gz LUYFRARMHRHPRP-CQSZACIVSA-N 1 1 261.365 2.947 10 0 CFAEMO COc1cccc([C@H]2c3ccccc3CC[N@@H+]2CCO)c1 ZINC000616678751 352409193 /nfs/dbraw/zinc/40/91/93/352409193.db2.gz LLPLYJKBHJSXRF-SFHVURJKSA-N 1 1 283.371 2.635 10 0 CFAEMO CC(C)[N@H+]1CCc2ccccc2[C@@H]1c1ccc(N)nc1 ZINC000616678223 352409307 /nfs/dbraw/zinc/40/93/07/352409307.db2.gz CJVZVCNERZANSS-KRWDZBQOSA-N 1 1 267.376 2.850 10 0 CFAEMO C[N@H+]1CCc2ccccc2[C@@H]1c1ccccc1CO ZINC000616677834 352409635 /nfs/dbraw/zinc/40/96/35/352409635.db2.gz YMSVIQXEEDIROU-QGZVFWFLSA-N 1 1 253.345 2.756 10 0 CFAEMO CC(=O)Nc1cccc([C@@H]2CC[N@@H+](C(C)C)CCO2)c1 ZINC000616686302 352413746 /nfs/dbraw/zinc/41/37/46/352413746.db2.gz IBPMDVOFMQWWCT-INIZCTEOSA-N 1 1 276.380 2.817 10 0 CFAEMO COc1cccc([C@H]2COCC[N@H+](C(C)(C)C)C2)c1 ZINC000616659130 352401771 /nfs/dbraw/zinc/40/17/71/352401771.db2.gz HGKINGUVXQEHAU-CQSZACIVSA-N 1 1 263.381 2.910 10 0 CFAEMO CC(C)(C)[N@H+]1CCOC[C@@H](c2cccc3ccnnc32)C1 ZINC000616659988 352402485 /nfs/dbraw/zinc/40/24/85/352402485.db2.gz HZILKTCSKCHNEU-AWEZNQCLSA-N 1 1 285.391 2.844 10 0 CFAEMO C[C@@H](C(=O)N1CC[N@H+]2CCCC[C@@H]2C1)c1cccs1 ZINC000152779677 188043033 /nfs/dbraw/zinc/04/30/33/188043033.db2.gz MPKCIEWCGLSIHO-CHWSQXEVSA-N 1 1 278.421 2.548 10 0 CFAEMO Cc1cccc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1C ZINC000155464785 188208341 /nfs/dbraw/zinc/20/83/41/188208341.db2.gz INKRQDJMRVJBOQ-XJKSGUPXSA-N 1 1 274.408 2.762 10 0 CFAEMO Cc1cnc(CC[N@H+](C)C[C@](C)(O)c2ccccc2)s1 ZINC000157473619 188320388 /nfs/dbraw/zinc/32/03/88/188320388.db2.gz HATPPSZIILFZDO-INIZCTEOSA-N 1 1 290.432 2.834 10 0 CFAEMO Brc1cnccc1C[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000625262680 354008198 /nfs/dbraw/zinc/00/81/98/354008198.db2.gz ZYBYPUAEDVNCSM-PWSUYJOCSA-N 1 1 267.170 2.828 10 0 CFAEMO Brc1cnccc1C[N@H+]1C[C@H]2CCC[C@@H]21 ZINC000625262680 354008201 /nfs/dbraw/zinc/00/82/01/354008201.db2.gz ZYBYPUAEDVNCSM-PWSUYJOCSA-N 1 1 267.170 2.828 10 0 CFAEMO C[C@]12CCCC[C@H]1C[N@H+]2C[C@H](O)COCc1ccccc1 ZINC000626105021 354193793 /nfs/dbraw/zinc/19/37/93/354193793.db2.gz PDWQJASDYUKTBL-BZSNNMDCSA-N 1 1 289.419 2.829 10 0 CFAEMO Fc1ccc2c(c1)[C@H](N1CC[N@H+]3CCC[C@@H]3C1)CCC2 ZINC000178914903 283004998 /nfs/dbraw/zinc/00/49/98/283004998.db2.gz QHURKWDOPGVRLM-NVXWUHKLSA-N 1 1 274.383 2.983 10 0 CFAEMO CCCN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000252474873 283013768 /nfs/dbraw/zinc/01/37/68/283013768.db2.gz NVCFGXYOEVDOAW-OLZOCXBDSA-N 1 1 270.417 2.974 10 0 CFAEMO CCCN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252474872 283013290 /nfs/dbraw/zinc/01/32/90/283013290.db2.gz NVCFGXYOEVDOAW-CHWSQXEVSA-N 1 1 270.417 2.974 10 0 CFAEMO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCS[C@H](C)C1)c1ccccc1 ZINC000171700498 188754498 /nfs/dbraw/zinc/75/44/98/188754498.db2.gz IXVAYTGGRIXGFS-RDBSUJKOSA-N 1 1 292.448 2.690 10 0 CFAEMO C[C@H](NC(=O)[C@H](C)[N@H+]1CCS[C@H](C)C1)c1ccccc1 ZINC000171700498 188754499 /nfs/dbraw/zinc/75/44/99/188754499.db2.gz IXVAYTGGRIXGFS-RDBSUJKOSA-N 1 1 292.448 2.690 10 0 CFAEMO Cc1ccc(CN2C[C@@H](C[NH3+])[C@H](C)C2)c(Cl)c1 ZINC000630074850 354997155 /nfs/dbraw/zinc/99/71/55/354997155.db2.gz BKSLMYVWQQXNHP-DGCLKSJQSA-N 1 1 252.789 2.675 10 0 CFAEMO CCCCOC[C@@H](O)C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000227905716 540075708 /nfs/dbraw/zinc/07/57/08/540075708.db2.gz PHWZVLOYKPHEAL-JYJNAYRXSA-N 1 1 269.429 2.819 10 0 CFAEMO C[C@@H](c1cccc(Cl)c1)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631837848 355601311 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CC[C@H]1CN2CCCC[C@H]2C[N@H+]1Cc1scnc1C ZINC000251755821 540390578 /nfs/dbraw/zinc/39/05/78/540390578.db2.gz LPSQAKHKNZPEIC-KBPBESRZSA-N 1 1 279.453 2.900 10 0 CFAEMO CC[C@H]1C[N@H+]2CCCC[C@H]2CN1Cc1cccnc1 ZINC000251715674 540388721 /nfs/dbraw/zinc/38/87/21/540388721.db2.gz JSKKFODMBUTGIU-HOTGVXAUSA-N 1 1 259.397 2.530 10 0 CFAEMO CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1Cc1cnc(C)s1 ZINC000251812922 540395332 /nfs/dbraw/zinc/39/53/32/540395332.db2.gz OSZLVBJXQHPWRV-KGLIPLIRSA-N 1 1 279.453 2.900 10 0 CFAEMO CC[C@@H]1CN2CCCC[C@H]2C[N@@H+]1Cc1cnc(C)s1 ZINC000251812922 540395337 /nfs/dbraw/zinc/39/53/37/540395337.db2.gz OSZLVBJXQHPWRV-KGLIPLIRSA-N 1 1 279.453 2.900 10 0 CFAEMO CC[C@@H]1CN2CCCC[C@H]2C[N@H+]1Cc1cnc(C)s1 ZINC000251812922 540395339 /nfs/dbraw/zinc/39/53/39/540395339.db2.gz OSZLVBJXQHPWRV-KGLIPLIRSA-N 1 1 279.453 2.900 10 0 CFAEMO [NH2+]=C1CN(C(=O)c2ccccc2)c2cc(Cl)ccc2N1 ZINC000033902549 283410294 /nfs/dbraw/zinc/41/02/94/283410294.db2.gz XEHRUGQPRXFJSG-UHFFFAOYSA-N 1 1 285.734 2.989 10 0 CFAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1cccc(OC)c1F ZINC000249462418 540498064 /nfs/dbraw/zinc/49/80/64/540498064.db2.gz ZUILMABKLNZTIG-CABCVRRESA-N 1 1 292.398 2.893 10 0 CFAEMO C[C@H]1CCCC[N@H+]1CCOc1cncc(Cl)c1 ZINC000675076048 540674268 /nfs/dbraw/zinc/67/42/68/540674268.db2.gz JGHZONNJIVAOOF-NSHDSACASA-N 1 1 254.761 2.988 10 0 CFAEMO C[C@H]([NH2+][C@@H]1CCCn2ncnc21)c1cccc(F)c1 ZINC000176684406 189004444 /nfs/dbraw/zinc/00/44/44/189004444.db2.gz HYGCVLXUNWLZCH-GXFFZTMASA-N 1 1 260.316 2.603 10 0 CFAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cc(F)cc(F)c1 ZINC000176975288 189018300 /nfs/dbraw/zinc/01/83/00/189018300.db2.gz GJNNRTYWRMENHW-AWEZNQCLSA-N 1 1 282.334 2.521 10 0 CFAEMO O=C(N1CC[N@@H+]2CCCC[C@@H]2C1)C1(Cc2ccccc2)CC1 ZINC000176992831 189019282 /nfs/dbraw/zinc/01/92/82/189019282.db2.gz XWSMRRSDVJLUCF-QGZVFWFLSA-N 1 1 298.430 2.706 10 0 CFAEMO O=C(N1CC[N@H+]2CCCC[C@@H]2C1)C1(Cc2ccccc2)CC1 ZINC000176992831 189019283 /nfs/dbraw/zinc/01/92/83/189019283.db2.gz XWSMRRSDVJLUCF-QGZVFWFLSA-N 1 1 298.430 2.706 10 0 CFAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(C(C)=O)cs1 ZINC000177003467 189019998 /nfs/dbraw/zinc/01/99/98/189019998.db2.gz VTMZDSKFKFRHJT-CYBMUJFWSA-N 1 1 294.420 2.507 10 0 CFAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1sccc1C ZINC000177016322 189021059 /nfs/dbraw/zinc/02/10/59/189021059.db2.gz KHFSACXTEVRNKG-LBPRGKRZSA-N 1 1 266.410 2.613 10 0 CFAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1coc2ccccc12 ZINC000177022791 189021312 /nfs/dbraw/zinc/02/13/12/189021312.db2.gz BXCJEZQEHNINHC-CYBMUJFWSA-N 1 1 286.375 2.989 10 0 CFAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(C)c(F)c1 ZINC000177028470 189021619 /nfs/dbraw/zinc/02/16/19/189021619.db2.gz RQFIDYRFQVFDOB-AWEZNQCLSA-N 1 1 278.371 2.690 10 0 CFAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)CCc1ccsc1 ZINC000177028324 189022050 /nfs/dbraw/zinc/02/20/50/189022050.db2.gz QXINJNUQHDSSJM-AWEZNQCLSA-N 1 1 280.437 2.623 10 0 CFAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Cc1ccccc1C ZINC000177136353 189031400 /nfs/dbraw/zinc/03/14/00/189031400.db2.gz VJXXGQKYPPAYMN-QGZVFWFLSA-N 1 1 297.402 2.734 10 0 CFAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@H]1CC=CCC1 ZINC000177141493 189031959 /nfs/dbraw/zinc/03/19/59/189031959.db2.gz ADHAXNJXQSNLCL-LSDHHAIUSA-N 1 1 273.380 2.539 10 0 CFAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1ccc(F)cc1 ZINC000177158593 189032818 /nfs/dbraw/zinc/03/28/18/189032818.db2.gz ILRARJGYWOWXEF-OAHLLOKOSA-N 1 1 287.338 2.635 10 0 CFAEMO Cc1cc(C(=O)N2CCC[C@H]2Cn2cc[nH+]c2C)c(C)o1 ZINC000177170671 189033655 /nfs/dbraw/zinc/03/36/55/189033655.db2.gz WARYPMXBXIYUEU-AWEZNQCLSA-N 1 1 287.363 2.706 10 0 CFAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1ccccc1C ZINC000177190461 189035326 /nfs/dbraw/zinc/03/53/26/189035326.db2.gz UGMPUVJQMUDDEP-OAHLLOKOSA-N 1 1 283.375 2.805 10 0 CFAEMO CCn1c(C)nnc1C[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000177545916 189056463 /nfs/dbraw/zinc/05/64/63/189056463.db2.gz MHZSAIQIRPTRIG-XJKSGUPXSA-N 1 1 284.407 2.984 10 0 CFAEMO c1cn(-c2ccccc2)nc1CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000177761407 189068172 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2.917 10 0 CFAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cccc2[nH]ccc21 ZINC000093437700 375235729 /nfs/dbraw/zinc/23/57/29/375235729.db2.gz WAQPIXVCVIKXRM-UKRRQHHQSA-N 1 1 269.392 2.836 10 0 CFAEMO Cc1cccnc1C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000093175151 375194333 /nfs/dbraw/zinc/19/43/33/375194333.db2.gz HSUPNXKTKWUJMQ-OAHLLOKOSA-N 1 1 282.391 2.719 10 0 CFAEMO Cc1cccnc1C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000093190925 375194365 /nfs/dbraw/zinc/19/43/65/375194365.db2.gz CISFXDAYORMOPN-GDBMZVCRSA-N 1 1 260.381 2.517 10 0 CFAEMO CCC(CC)C[N@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000093272296 375201152 /nfs/dbraw/zinc/20/11/52/375201152.db2.gz SPFCROBQIZDQLL-UHFFFAOYSA-N 1 1 276.428 2.733 10 0 CFAEMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2c[nH]nc2C)C12CCCC2 ZINC000093611162 375274243 /nfs/dbraw/zinc/27/42/43/375274243.db2.gz VIMJYNVMAGAMSC-LSDHHAIUSA-N 1 1 277.412 2.888 10 0 CFAEMO COc1ccc(CN2C[C@H]3CCCC[N@H+]3C[C@@H]2C)cc1 ZINC000094432742 375361568 /nfs/dbraw/zinc/36/15/68/375361568.db2.gz 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385696832 /nfs/dbraw/zinc/69/68/32/385696832.db2.gz VYMLJIXKMFUQNB-CQSZACIVSA-N 1 1 285.395 2.694 10 0 CFAEMO CCc1[nH+]ccn1[C@H]1CCCN(c2nc(C)cnc2C)C1 ZINC000273900977 385697056 /nfs/dbraw/zinc/69/70/56/385697056.db2.gz VYMLJIXKMFUQNB-AWEZNQCLSA-N 1 1 285.395 2.694 10 0 CFAEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1cccc(NC(C)=O)c1 ZINC000175347675 285240767 /nfs/dbraw/zinc/24/07/67/285240767.db2.gz JAFBRTYFZYGLGB-QGZVFWFLSA-N 1 1 289.423 2.561 10 0 CFAEMO O[C@@H]1CCCC[C@@H]1[N@H+]1Cc2cccc(Cl)c2C1 ZINC000287192548 285311792 /nfs/dbraw/zinc/31/17/92/285311792.db2.gz CZJVRRDNAOLUJS-UONOGXRCSA-N 1 1 251.757 2.959 10 0 CFAEMO O[C@@H]1CCC[C@@H]1[C@H]1CCC[N@H+]1C[C@H]1Cc2ccccc21 ZINC000253098367 285318628 /nfs/dbraw/zinc/31/86/28/285318628.db2.gz SWYRSLCPGOPHGD-VDHUWJSZSA-N 1 1 271.404 2.952 10 0 CFAEMO Cc1ccc(CN2CCO[C@@H]3C[N@H+](CCC(C)C)C[C@@H]32)o1 ZINC000248123068 256691516 /nfs/dbraw/zinc/69/15/16/256691516.db2.gz VUPCNUABYUSLPH-DLBZAZTESA-N 1 1 292.423 2.519 10 0 CFAEMO CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1CCC(C)(C)OC ZINC000682530894 542563895 /nfs/dbraw/zinc/56/38/95/542563895.db2.gz UCPYQGFRRZTXSA-HUUCEWRRSA-N 1 1 268.445 2.750 10 0 CFAEMO CC[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1CCC(C)(C)OC ZINC000682530894 542563898 /nfs/dbraw/zinc/56/38/98/542563898.db2.gz UCPYQGFRRZTXSA-HUUCEWRRSA-N 1 1 268.445 2.750 10 0 CFAEMO CC[C@@H]1CN2CCCC[C@@H]2C[N@H+]1CCC(C)(C)OC ZINC000682530894 542563901 /nfs/dbraw/zinc/56/39/01/542563901.db2.gz UCPYQGFRRZTXSA-HUUCEWRRSA-N 1 1 268.445 2.750 10 0 CFAEMO FC1(F)CCCC[C@H]1C[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000390999904 262375682 /nfs/dbraw/zinc/37/56/82/262375682.db2.gz DBKNCXWUVKTSDA-KBPBESRZSA-N 1 1 272.383 2.982 10 0 CFAEMO FC1(F)CCCC[C@H]1C[N@H+]1CCN2CCCC[C@H]2C1 ZINC000390999904 262375684 /nfs/dbraw/zinc/37/56/84/262375684.db2.gz DBKNCXWUVKTSDA-KBPBESRZSA-N 1 1 272.383 2.982 10 0 CFAEMO O[C@H](C[N@H+]1CCCC[C@@H]1c1cn[nH]c1)c1ccccc1 ZINC000114482482 285350668 /nfs/dbraw/zinc/35/06/68/285350668.db2.gz HOLNOCUCAGKCQE-HZPDHXFCSA-N 1 1 271.364 2.670 10 0 CFAEMO C[C@H]([N@@H+](C)C[C@@H](O)COCc1ccccc1)C1(C)CC1 ZINC000245861928 131090766 /nfs/dbraw/zinc/09/07/66/131090766.db2.gz CJCVOHLTSIBPOO-GOEBONIOSA-N 1 1 277.408 2.685 10 0 CFAEMO CCCN(C(=O)NC[C@H]1CCC[N@H+]1CC(C)C)C1CC1 ZINC000179148588 393452149 /nfs/dbraw/zinc/45/21/49/393452149.db2.gz GBUNSISYAUHVCW-OAHLLOKOSA-N 1 1 281.444 2.691 10 0 CFAEMO CC(C)N1CCC([NH2+][C@@H]2CCOc3ccccc32)CC1 ZINC000020189370 393485779 /nfs/dbraw/zinc/48/57/79/393485779.db2.gz RTVMDDKBPFVORU-MRXNPFEDSA-N 1 1 274.408 2.973 10 0 CFAEMO Fc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCCn2ncnc21 ZINC000183090608 393517575 /nfs/dbraw/zinc/51/75/75/393517575.db2.gz REMLDDFWABJSMP-HUUCEWRRSA-N 1 1 286.354 2.919 10 0 CFAEMO CC[C@@H](O)C[N@H+](Cc1ccc(OC)cc1)CC(C)C ZINC000036095177 393522748 /nfs/dbraw/zinc/52/27/48/393522748.db2.gz FZRHVRBSEUEIHH-OAHLLOKOSA-N 1 1 265.397 2.924 10 0 CFAEMO COc1ccccc1C[N@@H+](C)C[C@@H]1CCC[C@H](O)C1 ZINC000381706071 393565792 /nfs/dbraw/zinc/56/57/92/393565792.db2.gz HZDFDNGZKOVATJ-HIFRSBDPSA-N 1 1 263.381 2.678 10 0 CFAEMO CCC[C@H](C[N@H+]1C[C@@H]2CCCCN2C[C@H]1CC)OC ZINC000381178729 393561524 /nfs/dbraw/zinc/56/15/24/393561524.db2.gz ZEMNIILNKDMAQR-OWCLPIDISA-N 1 1 268.445 2.750 10 0 CFAEMO Cc1ccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c(Cl)c1 ZINC000191247407 393591925 /nfs/dbraw/zinc/59/19/25/393591925.db2.gz CLTPYWPNVKDMFX-STQMWFEESA-N 1 1 292.810 2.957 10 0 CFAEMO CC[N@H+]1CCC[C@@H](NC(=O)Nc2ccc(C)c(F)c2)C1 ZINC000048769851 393600580 /nfs/dbraw/zinc/60/05/80/393600580.db2.gz ZIQBSLOCQZTVDD-CYBMUJFWSA-N 1 1 279.359 2.740 10 0 CFAEMO CC[N@H+]1CCC[C@H](NC(=O)Nc2cc(F)ccc2C)C1 ZINC000048769793 393600707 /nfs/dbraw/zinc/60/07/07/393600707.db2.gz WUQBANDSBDPEDO-ZDUSSCGKSA-N 1 1 279.359 2.740 10 0 CFAEMO COCCN1CC[N@@H+](C[C@@H]2C(C)=CCC[C@H]2C)C[C@H]1C ZINC000191067719 393587343 /nfs/dbraw/zinc/58/73/43/393587343.db2.gz PUOCVAXHKXCUAN-BRWVUGGUSA-N 1 1 280.456 2.631 10 0 CFAEMO CC[C@H]1C[N@H+]2CCCC[C@H]2CN1Cc1ccns1 ZINC000404381484 393618288 /nfs/dbraw/zinc/61/82/88/393618288.db2.gz UPFMMISAXQDHDV-STQMWFEESA-N 1 1 265.426 2.592 10 0 CFAEMO CCCCOC[C@H](O)C[N@H+]1CCCC[C@@H]1c1cccn1C ZINC000195180652 393733318 /nfs/dbraw/zinc/73/33/18/393733318.db2.gz MZRYXNDOODBEIY-NVXWUHKLSA-N 1 1 294.439 2.730 10 0 CFAEMO CSCC[N@H+]1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000195257217 393736859 /nfs/dbraw/zinc/73/68/59/393736859.db2.gz DZZWSURVFSLPQV-CYBMUJFWSA-N 1 1 299.509 2.568 10 0 CFAEMO COC(=O)[C@@H]1CCC[N@@H+](CCCc2ccccc2C)C1 ZINC000084677480 393749258 /nfs/dbraw/zinc/74/92/58/393749258.db2.gz PAHWHLLWKRSSIA-MRXNPFEDSA-N 1 1 275.392 2.813 10 0 CFAEMO Clc1csc(CN2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000194389728 393691491 /nfs/dbraw/zinc/69/14/91/393691491.db2.gz ZSJUIXJIVDHVIX-LLVKDONJSA-N 1 1 256.802 2.682 10 0 CFAEMO CC[N@H+]1CCC[C@H](NC(=O)CCc2c[nH]c3ccccc23)C1 ZINC000194628869 393710851 /nfs/dbraw/zinc/71/08/51/393710851.db2.gz ANOHDNLZVKEEOL-HNNXBMFYSA-N 1 1 299.418 2.701 10 0 CFAEMO CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(OC(F)F)c2)C1 ZINC000194630267 393711277 /nfs/dbraw/zinc/71/12/77/393711277.db2.gz PAYPFCSKCIFYCF-GFCCVEGCSA-N 1 1 298.333 2.502 10 0 CFAEMO CCOc1cccc(CN(C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000231460446 393781821 /nfs/dbraw/zinc/78/18/21/393781821.db2.gz QXNNDADKUZOSLG-OAHLLOKOSA-N 1 1 262.397 2.659 10 0 CFAEMO CCc1csc([C@@H]2CCC[N@H+](Cc3cc[nH]n3)C2)n1 ZINC000092789283 393791477 /nfs/dbraw/zinc/79/14/77/393791477.db2.gz ZVPRUHCRMGJIHL-LLVKDONJSA-N 1 1 276.409 2.808 10 0 CFAEMO CCc1csc([C@@H]2CCC[N@@H+](Cc3cc[nH]n3)C2)n1 ZINC000092789283 393791482 /nfs/dbraw/zinc/79/14/82/393791482.db2.gz ZVPRUHCRMGJIHL-LLVKDONJSA-N 1 1 276.409 2.808 10 0 CFAEMO Fc1ccc2c(c1)[C@@H](N1CC[N@H+]3CCC[C@H]3C1)CCC2 ZINC000245515617 393811805 /nfs/dbraw/zinc/81/18/05/393811805.db2.gz QHURKWDOPGVRLM-RDJZCZTQSA-N 1 1 274.383 2.983 10 0 CFAEMO COc1ccc([C@@H](C)C[N@@H+]2CC[C@@H](CN(C)C)C2)cc1 ZINC000245638509 393820119 /nfs/dbraw/zinc/82/01/19/393820119.db2.gz CTANBIMKIQBPBV-GJZGRUSLSA-N 1 1 276.424 2.682 10 0 CFAEMO COc1ccc([C@@H](C)C[N@H+]2CC[C@@H](CN(C)C)C2)cc1 ZINC000245638509 393820121 /nfs/dbraw/zinc/82/01/21/393820121.db2.gz CTANBIMKIQBPBV-GJZGRUSLSA-N 1 1 276.424 2.682 10 0 CFAEMO CCc1ccccc1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000245709472 393823972 /nfs/dbraw/zinc/82/39/72/393823972.db2.gz YUGGTJRPMFVGDY-CJNGLKHVSA-N 1 1 274.408 2.708 10 0 CFAEMO CCSCC[C@@H](C)[N@@H+](C)C[C@@H](O)COC(C)(C)C ZINC000246492699 393870884 /nfs/dbraw/zinc/87/08/84/393870884.db2.gz HFYHRJVUABPRNJ-CHWSQXEVSA-N 1 1 277.474 2.626 10 0 CFAEMO CCc1nnc(C[N@H+]2C[C@H](c3ccccc3)C[C@H]2C)n1C ZINC000246660937 393880383 /nfs/dbraw/zinc/88/03/83/393880383.db2.gz AJXZWBSMTMNVBR-UKRRQHHQSA-N 1 1 284.407 2.756 10 0 CFAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1CCC(C)(C)CC1 ZINC000246679077 393880683 /nfs/dbraw/zinc/88/06/83/393880683.db2.gz MKWPZCBTNZVOKZ-ZFWWWQNUSA-N 1 1 278.440 2.898 10 0 CFAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)N(C)C(C2CC2)C2CC2)C1 ZINC000246819200 393886232 /nfs/dbraw/zinc/88/62/32/393886232.db2.gz DLPCDTVQDOAWLH-SWLSCSKDSA-N 1 1 293.455 2.545 10 0 CFAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc2c(c1)CCC2 ZINC000247050458 393892680 /nfs/dbraw/zinc/89/26/80/393892680.db2.gz WFDGBNUREQONMQ-MSOLQXFVSA-N 1 1 298.430 2.874 10 0 CFAEMO Cc1cc(C)cc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000247072915 393893284 /nfs/dbraw/zinc/89/32/84/393893284.db2.gz HOQJHSOLBIXIKM-ZBFHGGJFSA-N 1 1 272.392 2.612 10 0 CFAEMO CCC[C@H](C)CC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113224163 393896731 /nfs/dbraw/zinc/89/67/31/393896731.db2.gz ROYRIVMEITXNOR-MELADBBJSA-N 1 1 252.402 2.508 10 0 CFAEMO CC(C)C[C@H](C)CC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247407736 393897389 /nfs/dbraw/zinc/89/73/89/393897389.db2.gz PWCSHPBORINXHB-ZNMIVQPWSA-N 1 1 266.429 2.754 10 0 CFAEMO COC(=O)CCC[N@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000116389616 393907773 /nfs/dbraw/zinc/90/77/73/393907773.db2.gz OIPDVHQKQVZQFS-LBPRGKRZSA-N 1 1 282.409 2.584 10 0 CFAEMO CCCC(=O)N[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000101564537 393849023 /nfs/dbraw/zinc/84/90/23/393849023.db2.gz ZXHVZTKATMEMNY-HNNXBMFYSA-N 1 1 266.429 2.947 10 0 CFAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N[C@@H](C)C1CCCC1 ZINC000246157817 393851074 /nfs/dbraw/zinc/85/10/74/393851074.db2.gz KPLIJGGGLUOFEV-IMJJTQAJSA-N 1 1 293.455 2.833 10 0 CFAEMO CCc1nnc(C[N@H+](CC)[C@@H]2CCCC[C@@H]2C)n1C ZINC000120084741 393929247 /nfs/dbraw/zinc/92/92/47/393929247.db2.gz NDWSEOZIOFVJDP-QWHCGFSZSA-N 1 1 264.417 2.778 10 0 CFAEMO CCC1CCC(NC(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000120890629 393942734 /nfs/dbraw/zinc/94/27/34/393942734.db2.gz CHOVCPZJTLGOES-VXGQWTEUSA-N 1 1 293.455 2.880 10 0 CFAEMO CCCC(O)(CCC)CC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000119475677 393919388 /nfs/dbraw/zinc/91/93/88/393919388.db2.gz WSGRKMLBJSKGGD-GJZGRUSLSA-N 1 1 298.471 2.553 10 0 CFAEMO CC[N@H+]1CCC[C@H](N[C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000126125871 394020835 /nfs/dbraw/zinc/02/08/35/394020835.db2.gz SUPRPGSFEQEAOQ-HOTGVXAUSA-N 1 1 284.407 2.573 10 0 CFAEMO CC(C)C[C@@H](C)C[N@H+]1CCC[C@H]([NH+](C)CC(=O)[O-])CC1 ZINC000263571987 393963383 /nfs/dbraw/zinc/96/33/83/393963383.db2.gz KGEBXNNCJHDZFN-CABCVRRESA-N 1 1 284.444 2.540 10 0 CFAEMO CC(C)C[C@@H](C)C[NH+]1CCC[C@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000263571987 393963385 /nfs/dbraw/zinc/96/33/85/393963385.db2.gz KGEBXNNCJHDZFN-CABCVRRESA-N 1 1 284.444 2.540 10 0 CFAEMO CC(C)C[C@@H](C)C[NH+]1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000263571987 393963389 /nfs/dbraw/zinc/96/33/89/393963389.db2.gz KGEBXNNCJHDZFN-CABCVRRESA-N 1 1 284.444 2.540 10 0 CFAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1scnc1C1CC1 ZINC000126873601 394038069 /nfs/dbraw/zinc/03/80/69/394038069.db2.gz CCGQGMHWTLTLLT-GFCCVEGCSA-N 1 1 293.436 2.577 10 0 CFAEMO Cc1cc(C)cc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000353913703 394038462 /nfs/dbraw/zinc/03/84/62/394038462.db2.gz IQCRXUJYCIWTJD-NVXWUHKLSA-N 1 1 258.409 2.972 10 0 CFAEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C(C1CC1)C1CC1 ZINC000128456948 394070700 /nfs/dbraw/zinc/07/07/00/394070700.db2.gz 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C[C@@H]1C[N@@H+](C[C@H]2CCCCC2(F)F)C[C@@]1(C)CO ZINC000662145578 414431880 /nfs/dbraw/zinc/43/18/80/414431880.db2.gz YFQOWTUFJCIWBG-UPJWGTAASA-N 1 1 261.356 2.762 10 0 CFAEMO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)o1 ZINC000037980987 173940271 /nfs/dbraw/zinc/94/02/71/173940271.db2.gz STEHTXBQTXNHQJ-NWDGAFQWSA-N 1 1 266.385 2.932 10 0 CFAEMO COc1cc([C@H](C)NC[C@H](C)[NH+]2CCCCC2)ccc1O ZINC000038028464 174017178 /nfs/dbraw/zinc/01/71/78/174017178.db2.gz KXVNIMOLORWCJA-KBPBESRZSA-N 1 1 292.423 2.926 10 0 CFAEMO COc1cc([C@H](C)NC[C@@H](C)[NH+]2CCCCC2)ccc1O ZINC000038028465 174017592 /nfs/dbraw/zinc/01/75/92/174017592.db2.gz KXVNIMOLORWCJA-KGLIPLIRSA-N 1 1 292.423 2.926 10 0 CFAEMO COc1ccc(CC[N@H+]2CCc3c(N)cccc3C2)cc1 ZINC000038032797 174030106 /nfs/dbraw/zinc/03/01/06/174030106.db2.gz VHJNXTRWSXLQRZ-UHFFFAOYSA-N 1 1 282.387 2.878 10 0 CFAEMO COc1ccc([C@@H](C)[NH2+]Cc2ccnc(C)n2)c(OC)c1 ZINC000038037341 174037396 /nfs/dbraw/zinc/03/73/96/174037396.db2.gz HXRQXFSBEIURQH-LLVKDONJSA-N 1 1 287.363 2.653 10 0 CFAEMO CC[C@H](C)[NH2+][C@@](C)(CCc1ccccc1)C(=O)OC ZINC000038067103 174078461 /nfs/dbraw/zinc/07/84/61/174078461.db2.gz GTIPNQWYWBAMJE-BBRMVZONSA-N 1 1 263.381 2.939 10 0 CFAEMO CC1(C2=CC[N@@H+](Cc3ccccc3)CC2)OCCO1 ZINC000038644108 174150563 /nfs/dbraw/zinc/15/05/63/174150563.db2.gz KUQFLKWSSWDYEK-UHFFFAOYSA-N 1 1 259.349 2.582 10 0 CFAEMO O[C@H](Cc1[nH]cc[nH+]1)c1c(Cl)cccc1Cl ZINC000040261475 174217374 /nfs/dbraw/zinc/21/73/74/174217374.db2.gz LXMVWEWQNRFOFO-SECBINFHSA-N 1 1 257.120 2.993 10 0 CFAEMO COc1cccc(OC)c1-c1nc([C@H]2CCCC[NH2+]2)no1 ZINC000040557859 174332389 /nfs/dbraw/zinc/33/23/89/174332389.db2.gz OWBVGXOPNUAEIW-SNVBAGLBSA-N 1 1 289.335 2.568 10 0 CFAEMO CC(C)[N@@H+]1CC[C@H](CN[C@@H](C)c2ccc(O)cc2)C1 ZINC000040621298 174354985 /nfs/dbraw/zinc/35/49/85/174354985.db2.gz MKUFQPTYUZSJJC-UONOGXRCSA-N 1 1 262.397 2.773 10 0 CFAEMO CC(C)[N@H+]1CC[C@H](CN[C@@H](C)c2ccc(O)cc2)C1 ZINC000040621298 174354987 /nfs/dbraw/zinc/35/49/87/174354987.db2.gz MKUFQPTYUZSJJC-UONOGXRCSA-N 1 1 262.397 2.773 10 0 CFAEMO Cc1nc2sccn2c1CNC[C@H]1CC[N@H+](C(C)C)C1 ZINC000040622952 174356086 /nfs/dbraw/zinc/35/60/86/174356086.db2.gz CIKXYEPGIDNCRB-CYBMUJFWSA-N 1 1 292.452 2.524 10 0 CFAEMO CCOC1CC[NH+]([C@@H](C)C(=O)c2ccccc2)CC1 ZINC000040678539 174374674 /nfs/dbraw/zinc/37/46/74/174374674.db2.gz RULMEJYEZJTMSN-ZDUSSCGKSA-N 1 1 261.365 2.759 10 0 CFAEMO CCOC1CC[NH+](C[C@H](N)c2cc(C)ccc2C)CC1 ZINC000040689313 174376209 /nfs/dbraw/zinc/37/62/09/174376209.db2.gz TXTKOQMIJKUQEV-KRWDZBQOSA-N 1 1 276.424 2.804 10 0 CFAEMO CCOC1CCN([C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000040689331 174376563 /nfs/dbraw/zinc/37/65/63/174376563.db2.gz KKIQFNRJKOKVEY-HUUCEWRRSA-N 1 1 254.418 2.537 10 0 CFAEMO CCOC1CC[NH+]([C@@H]2CCCCCC[C@H]2N)CC1 ZINC000040689331 174376565 /nfs/dbraw/zinc/37/65/65/174376565.db2.gz KKIQFNRJKOKVEY-HUUCEWRRSA-N 1 1 254.418 2.537 10 0 CFAEMO Cc1ccc2c(c1)[nH]c(=S)n2[C@@H]1CCC[N@H+](C)C1 ZINC000040715934 174383086 /nfs/dbraw/zinc/38/30/86/174383086.db2.gz UUMGSVIZKQZXGK-LLVKDONJSA-N 1 1 261.394 2.900 10 0 CFAEMO C[N@H+]1CCC[C@H](n2c3ccc(F)cc3[nH]c2=S)C1 ZINC000040715928 174383390 /nfs/dbraw/zinc/38/33/90/174383390.db2.gz GXUQXZSUYFQFSU-JTQLQIEISA-N 1 1 265.357 2.731 10 0 CFAEMO C[N@@H+]1CCC[C@H](n2c(N)nc3cccc(Cl)c32)C1 ZINC000040715944 174383903 /nfs/dbraw/zinc/38/39/03/174383903.db2.gz KEJYBHNTPRYLPE-VIFPVBQESA-N 1 1 264.760 2.539 10 0 CFAEMO C[N@H+]1CCC[C@H](n2c(N)nc3cccc(Cl)c32)C1 ZINC000040715944 174383904 /nfs/dbraw/zinc/38/39/04/174383904.db2.gz KEJYBHNTPRYLPE-VIFPVBQESA-N 1 1 264.760 2.539 10 0 CFAEMO CN(Cc1cn(C)c2ccccc12)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746505 174391638 /nfs/dbraw/zinc/39/16/38/174391638.db2.gz HQTMTZUUJNVUGL-XYPWUTKMSA-N 1 1 283.419 2.893 10 0 CFAEMO [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OC(F)F)cc1 ZINC000040749253 174393786 /nfs/dbraw/zinc/39/37/86/174393786.db2.gz ZMQGXIIRLMIFMH-YHWZYXNKSA-N 1 1 282.334 2.742 10 0 CFAEMO [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(OC(F)F)cc1 ZINC000040749253 174393787 /nfs/dbraw/zinc/39/37/87/174393787.db2.gz ZMQGXIIRLMIFMH-YHWZYXNKSA-N 1 1 282.334 2.742 10 0 CFAEMO C[C@H](C[NH+]1CCCC1)NCc1ccc(F)c(F)c1 ZINC000042371962 174701855 /nfs/dbraw/zinc/70/18/55/174701855.db2.gz UTBVPVKIFGTCJH-LLVKDONJSA-N 1 1 254.324 2.539 10 0 CFAEMO CCC(CC)[N@@H+](CCOC)Cc1cccc(C(N)=S)c1 ZINC000042679776 174834538 /nfs/dbraw/zinc/83/45/38/174834538.db2.gz IIWPSIDLEWVBMC-UHFFFAOYSA-N 1 1 294.464 2.958 10 0 CFAEMO C[C@@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N1CCN(C2CC2)CC1 ZINC000042946077 174921865 /nfs/dbraw/zinc/92/18/65/174921865.db2.gz PIMUSGXXKHJRDO-WBMJQRKESA-N 1 1 293.842 2.508 10 0 CFAEMO Clc1ccc(CC[NH2+][C@@H]2CCCNC2)c(Cl)c1 ZINC000043324135 175006392 /nfs/dbraw/zinc/00/63/92/175006392.db2.gz ULXPCLFSBOHSES-GFCCVEGCSA-N 1 1 273.207 2.878 10 0 CFAEMO CC[C@H](N)[C@H](c1ccccn1)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043341034 175015122 /nfs/dbraw/zinc/01/51/22/175015122.db2.gz CXDMHOHIOLKEGY-JLJPHGGASA-N 1 1 291.439 2.607 10 0 CFAEMO CC[C@H](N)[C@H](c1ccccn1)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043341034 175015123 /nfs/dbraw/zinc/01/51/23/175015123.db2.gz CXDMHOHIOLKEGY-JLJPHGGASA-N 1 1 291.439 2.607 10 0 CFAEMO CC[C@H](N)[C@H](c1cccnc1)[N@H+](CC1CC1)C(C)C ZINC000043348426 175018794 /nfs/dbraw/zinc/01/87/94/175018794.db2.gz SCWXWRSLDQYRHV-HOTGVXAUSA-N 1 1 261.413 2.980 10 0 CFAEMO CC[C@H](N)[C@H](c1cccnc1)[N@@H+](CC1CC1)C(C)C ZINC000043348426 175018795 /nfs/dbraw/zinc/01/87/95/175018795.db2.gz SCWXWRSLDQYRHV-HOTGVXAUSA-N 1 1 261.413 2.980 10 0 CFAEMO CC[C@@H](N)[C@@H](c1ccncc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000043353059 175020192 /nfs/dbraw/zinc/02/01/92/175020192.db2.gz UMUQPLLIYOJBAT-OCVGTWLNSA-N 1 1 261.413 2.838 10 0 CFAEMO CC[C@@H](N)[C@@H](c1ccncc1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000043353059 175020194 /nfs/dbraw/zinc/02/01/94/175020194.db2.gz UMUQPLLIYOJBAT-OCVGTWLNSA-N 1 1 261.413 2.838 10 0 CFAEMO CC[C@@H](N)[C@H](c1ccncc1)[N@H+](CC(C)C)C1CC1 ZINC000043354660 175022250 /nfs/dbraw/zinc/02/22/50/175022250.db2.gz FZFIPUVATVGYLV-CVEARBPZSA-N 1 1 261.413 2.980 10 0 CFAEMO CC[C@@H](N)[C@H](c1ccncc1)[N@@H+](CC(C)C)C1CC1 ZINC000043354660 175022251 /nfs/dbraw/zinc/02/22/51/175022251.db2.gz FZFIPUVATVGYLV-CVEARBPZSA-N 1 1 261.413 2.980 10 0 CFAEMO COc1cccc(C[N@@H+](CCC(N)=S)CC(C)C)c1 ZINC000043418510 175039058 /nfs/dbraw/zinc/03/90/58/175039058.db2.gz RBGAEERCEGCASA-UHFFFAOYSA-N 1 1 280.437 2.829 10 0 CFAEMO CC(C)CN(CCC(N)=[NH2+])Cc1ccc(F)cc1 ZINC000043423039 175039224 /nfs/dbraw/zinc/03/92/24/175039224.db2.gz HETPXJQVYQPJOJ-UHFFFAOYSA-N 1 1 251.349 2.610 10 0 CFAEMO COc1ccc(CN(CCC(N)=[NH2+])CC(C)C)cc1F ZINC000043422978 175039342 /nfs/dbraw/zinc/03/93/42/175039342.db2.gz QLYBGZBDMDGPPQ-UHFFFAOYSA-N 1 1 281.375 2.618 10 0 CFAEMO Nc1ccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)c2ncccc12 ZINC000043423656 175039554 /nfs/dbraw/zinc/03/95/54/175039554.db2.gz XRVFZADAXVZJMI-JKSUJKDBSA-N 1 1 283.375 2.570 10 0 CFAEMO CCOc1ccc(N)cc1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000043423999 175039867 /nfs/dbraw/zinc/03/98/67/175039867.db2.gz QXWPANZSBBSWBS-RDJZCZTQSA-N 1 1 290.407 2.811 10 0 CFAEMO CCOc1ccc(N)cc1C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000043423999 175039868 /nfs/dbraw/zinc/03/98/68/175039868.db2.gz QXWPANZSBBSWBS-RDJZCZTQSA-N 1 1 290.407 2.811 10 0 CFAEMO c1cc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)cc2c1NCC2 ZINC000043428149 175041296 /nfs/dbraw/zinc/04/12/96/175041296.db2.gz ZATVNWNLKLLMBR-DLBZAZTESA-N 1 1 272.392 2.798 10 0 CFAEMO NC(=S)CC[N@@H+](Cc1cc(F)ccc1F)C1CC1 ZINC000043458733 175050515 /nfs/dbraw/zinc/05/05/15/175050515.db2.gz JVKLBDNYHFTJID-UHFFFAOYSA-N 1 1 270.348 2.605 10 0 CFAEMO CCOc1ccc2nc(SC[C@@H]3CCC[NH2+]3)[nH]c2c1 ZINC000043497204 175058167 /nfs/dbraw/zinc/05/81/67/175058167.db2.gz WJVNTVUZZHKFKI-JTQLQIEISA-N 1 1 277.393 2.806 10 0 CFAEMO C[C@H](C[NH3+])CN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000043511975 175060767 /nfs/dbraw/zinc/06/07/67/175060767.db2.gz MNDRSDMZIIGTPD-SNVBAGLBSA-N 1 1 260.303 2.732 10 0 CFAEMO COC(=O)[C@@H]([NH2+]CC[C@H](C)c1ccccc1)C(C)C ZINC000043533389 175062541 /nfs/dbraw/zinc/06/25/41/175062541.db2.gz ADPPAOOXZFVJNU-ZFWWWQNUSA-N 1 1 263.381 2.967 10 0 CFAEMO C[C@@H](C[C@@H](CN)[N@@H+](C)C1CCOCC1)c1ccccc1 ZINC000043534836 175063119 /nfs/dbraw/zinc/06/31/19/175063119.db2.gz ZYVLXSJSJMNNFE-YOEHRIQHSA-N 1 1 276.424 2.618 10 0 CFAEMO C[C@@H](C[C@@H](C[NH3+])N(C)C1CCOCC1)c1ccccc1 ZINC000043534836 175063121 /nfs/dbraw/zinc/06/31/21/175063121.db2.gz ZYVLXSJSJMNNFE-YOEHRIQHSA-N 1 1 276.424 2.618 10 0 CFAEMO COC(=O)[C@@H](C[C@H](C)c1ccccc1)[NH2+]CC(C)C ZINC000043535909 175063239 /nfs/dbraw/zinc/06/32/39/175063239.db2.gz ARYAABHZKNIVCB-DZGCQCFKSA-N 1 1 263.381 2.967 10 0 CFAEMO CCn1cc([C@@H]([NH2+]C)c2ccccc2Br)cn1 ZINC000043560789 175066592 /nfs/dbraw/zinc/06/65/92/175066592.db2.gz NUKZNMLWFSNJNT-CYBMUJFWSA-N 1 1 294.196 2.974 10 0 CFAEMO [NH3+][C@@H](c1ccco1)c1cccc(I)c1 ZINC000043607004 175078803 /nfs/dbraw/zinc/07/88/03/175078803.db2.gz PXEITFPEFIGTDP-LLVKDONJSA-N 1 1 299.111 2.932 10 0 CFAEMO CCOC(=O)C[C@@H](C)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000043622827 175080878 /nfs/dbraw/zinc/08/08/78/175080878.db2.gz RSDGZYNQIQQVNW-HZSPNIEDSA-N 1 1 253.386 2.840 10 0 CFAEMO CC[N@H+](C1CCCCC1)[C@@H]1CC2(CC[C@@H]1NC)OCCO2 ZINC000043804104 175107551 /nfs/dbraw/zinc/10/75/51/175107551.db2.gz VTDVQCWTECZHEX-JKSUJKDBSA-N 1 1 296.455 2.525 10 0 CFAEMO CC[N@@H+](C1CCCCC1)[C@@H]1CC2(CC[C@@H]1NC)OCCO2 ZINC000043804104 175107553 /nfs/dbraw/zinc/10/75/53/175107553.db2.gz VTDVQCWTECZHEX-JKSUJKDBSA-N 1 1 296.455 2.525 10 0 CFAEMO CCN[C@@H](c1ccc(OC)cc1)[C@@H](C)[NH+]1CCCC1 ZINC000043807407 175108337 /nfs/dbraw/zinc/10/83/37/175108337.db2.gz NWPRQXIQSXSGAQ-CZUORRHYSA-N 1 1 262.397 2.830 10 0 CFAEMO CN[C@@H](C[NH+]1CCC(C)CC1)c1cc(C)ccc1OC ZINC000043806476 175108409 /nfs/dbraw/zinc/10/84/09/175108409.db2.gz SBTKKKSTSPOQMA-INIZCTEOSA-N 1 1 276.424 2.996 10 0 CFAEMO CCC[NH2+][C@H](CCC)[C@@H](CC)N1CCN(CC)CC1 ZINC000043806235 175108448 /nfs/dbraw/zinc/10/84/48/175108448.db2.gz GFEFLCMVKAZMAP-HZPDHXFCSA-N 1 1 269.477 2.571 10 0 CFAEMO CCCOc1ccc([C@H](C[NH+]2CCCC2)NC)cc1 ZINC000043807123 175108623 /nfs/dbraw/zinc/10/86/23/175108623.db2.gz NJBRRSYGJQTKBB-INIZCTEOSA-N 1 1 262.397 2.832 10 0 CFAEMO CC[NH+](CC)[C@@H]1CCc2cc(OC)ccc2[C@H]1NC ZINC000043809094 175109566 /nfs/dbraw/zinc/10/95/66/175109566.db2.gz YLZAJOQOLUWOSD-HZPDHXFCSA-N 1 1 262.397 2.612 10 0 CFAEMO CC[NH2+][C@@H](c1ccccc1)[C@@H](C(C)C)N1CCN(C)CC1 ZINC000043810775 175110025 /nfs/dbraw/zinc/11/00/25/175110025.db2.gz MMJYEPYXQLSNID-ZWKOTPCHSA-N 1 1 289.467 2.609 10 0 CFAEMO CC[NH2+][C@H](c1ccc(CC)cc1)[C@H](C)N1CCN(C)CC1 ZINC000043810892 175110222 /nfs/dbraw/zinc/11/02/22/175110222.db2.gz QJSGFMGAMRWCML-YJBOKZPZSA-N 1 1 289.467 2.536 10 0 CFAEMO CCN[C@@H](C[N@H+](C)C(C)C)c1ccc2c(c1)OCCCO2 ZINC000043813499 175110752 /nfs/dbraw/zinc/11/07/52/175110752.db2.gz VUACWHNMHRNVNY-HNNXBMFYSA-N 1 1 292.423 2.839 10 0 CFAEMO CCN[C@@H](C[N@@H+](C)C(C)C)c1ccc2c(c1)OCCCO2 ZINC000043813499 175110754 /nfs/dbraw/zinc/11/07/54/175110754.db2.gz 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ZINC000044561315 175204895 /nfs/dbraw/zinc/20/48/95/175204895.db2.gz WIXJJLCXNOFPAB-LLVKDONJSA-N 1 1 284.201 2.740 10 0 CFAEMO C[C@@H](NC[C@H]1CCCC[N@@H+]1C)c1nc2ccccc2n1C ZINC000044561798 175205218 /nfs/dbraw/zinc/20/52/18/175205218.db2.gz ZQRNSANOXCOUPL-ZIAGYGMSSA-N 1 1 286.423 2.708 10 0 CFAEMO C[C@@H](NC[C@H]1CCCC[N@H+]1C)c1nc2ccccc2n1C ZINC000044561798 175205219 /nfs/dbraw/zinc/20/52/19/175205219.db2.gz ZQRNSANOXCOUPL-ZIAGYGMSSA-N 1 1 286.423 2.708 10 0 CFAEMO C[C@@H](NC[C@H]1CCCC[N@@H+]1C)c1ccccc1F ZINC000044561920 175205770 /nfs/dbraw/zinc/20/57/70/175205770.db2.gz OSINVMSGHWORFR-CHWSQXEVSA-N 1 1 250.361 2.961 10 0 CFAEMO C[C@@H](NC[C@H]1CCCC[N@H+]1C)c1ccccc1F ZINC000044561920 175205771 /nfs/dbraw/zinc/20/57/71/175205771.db2.gz OSINVMSGHWORFR-CHWSQXEVSA-N 1 1 250.361 2.961 10 0 CFAEMO C[N@H+]1CCCC[C@@H]1CNc1nncc2ccccc21 ZINC000044563287 175206536 /nfs/dbraw/zinc/20/65/36/175206536.db2.gz ARNHTMPBCTYQFZ-CYBMUJFWSA-N 1 1 256.353 2.526 10 0 CFAEMO Cc1nc(C[N@H+](C)C[C@H](O)c2ccccc2)cs1 ZINC000044609573 175216670 /nfs/dbraw/zinc/21/66/70/175216670.db2.gz XAKJOYCUJGFKLR-AWEZNQCLSA-N 1 1 262.378 2.617 10 0 CFAEMO Cc1nc(C[N@@H+](C)C[C@H](O)c2ccccc2)cs1 ZINC000044609573 175216671 /nfs/dbraw/zinc/21/66/71/175216671.db2.gz XAKJOYCUJGFKLR-AWEZNQCLSA-N 1 1 262.378 2.617 10 0 CFAEMO [NH3+][C@H](CN[C@H]1C[C@@H]1c1ccccc1)Cc1ccccc1 ZINC000044675793 175227127 /nfs/dbraw/zinc/22/71/27/175227127.db2.gz YGKIGFDLESUMLI-KSZLIROESA-N 1 1 266.388 2.702 10 0 CFAEMO Nc1nc2cccc(Cl)c2n1[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044726528 175238788 /nfs/dbraw/zinc/23/87/88/175238788.db2.gz RJQBDZDRMCUWDJ-JTQLQIEISA-N 1 1 276.771 2.681 10 0 CFAEMO Nc1nc2cccc(Cl)c2n1[C@H]1CC[N@H+](C2CC2)C1 ZINC000044726528 175238790 /nfs/dbraw/zinc/23/87/90/175238790.db2.gz RJQBDZDRMCUWDJ-JTQLQIEISA-N 1 1 276.771 2.681 10 0 CFAEMO Cc1cc(C[NH2+][C@H]2CCCc3cc(O)ccc32)no1 ZINC000044747625 175242957 /nfs/dbraw/zinc/24/29/57/175242957.db2.gz SWBVCXQYZJMEKE-HNNXBMFYSA-N 1 1 258.321 2.856 10 0 CFAEMO C[C@@H](C(=O)Nc1cccc(N)c1)[N@@H+](C)CC(C)(C)C ZINC000045064511 175298699 /nfs/dbraw/zinc/29/86/99/175298699.db2.gz VKWVKNMOFHMRFJ-NSHDSACASA-N 1 1 263.385 2.574 10 0 CFAEMO CC[N@@H+](CC(N)=S)Cc1ccc(C(C)C)cc1 ZINC000045063194 175299079 /nfs/dbraw/zinc/29/90/79/175299079.db2.gz PTCXFJCNRLTZHS-UHFFFAOYSA-N 1 1 250.411 2.918 10 0 CFAEMO C[N@H+](CC(=O)c1ccc2c(c1)CCO2)CC(C)(C)C ZINC000045068342 175300110 /nfs/dbraw/zinc/30/01/10/175300110.db2.gz UJTXZLXBQMTZKQ-UHFFFAOYSA-N 1 1 261.365 2.782 10 0 CFAEMO C[N@@H+](CC(=O)c1ccc2c(c1)CCO2)CC(C)(C)C ZINC000045068342 175300111 /nfs/dbraw/zinc/30/01/11/175300111.db2.gz UJTXZLXBQMTZKQ-UHFFFAOYSA-N 1 1 261.365 2.782 10 0 CFAEMO CN[C@@H](C[N@H+](C)CC(C)(C)C)c1ccc2c(c1)OCCO2 ZINC000045072414 175302205 /nfs/dbraw/zinc/30/22/05/175302205.db2.gz JJHCUZATLXKBGQ-AWEZNQCLSA-N 1 1 292.423 2.696 10 0 CFAEMO CN[C@@H](C[N@@H+](C)CC(C)(C)C)c1ccc2c(c1)OCCO2 ZINC000045072414 175302207 /nfs/dbraw/zinc/30/22/07/175302207.db2.gz JJHCUZATLXKBGQ-AWEZNQCLSA-N 1 1 292.423 2.696 10 0 CFAEMO CCC[N@@H+](CC(N)=S)Cc1ccc(CC)s1 ZINC000045093515 175306590 /nfs/dbraw/zinc/30/65/90/175306590.db2.gz LVANRCDTNDBTBH-UHFFFAOYSA-N 1 1 256.440 2.809 10 0 CFAEMO CC(C)[N@H+]1CC[C@H](CNc2cccc(F)c2N)C1 ZINC000045118701 175311357 /nfs/dbraw/zinc/31/13/57/175311357.db2.gz DBUAIEMQGVKQAE-LLVKDONJSA-N 1 1 251.349 2.550 10 0 CFAEMO C[C@H](C(N)=S)[N@H+](C)Cc1c(F)cccc1Cl ZINC000045147225 175317209 /nfs/dbraw/zinc/31/72/09/175317209.db2.gz JSDONNIIGMRNAF-SSDOTTSWSA-N 1 1 260.765 2.586 10 0 CFAEMO C[C@H](C(N)=S)[N@@H+](C)Cc1c(F)cccc1Cl ZINC000045147225 175317211 /nfs/dbraw/zinc/31/72/11/175317211.db2.gz JSDONNIIGMRNAF-SSDOTTSWSA-N 1 1 260.765 2.586 10 0 CFAEMO CCn1nc(C)c([C@H](C)NCC(C)(C)[NH+](C)C)c1C ZINC000045168211 175319236 /nfs/dbraw/zinc/31/92/36/175319236.db2.gz VMRYONJNSKAEIW-NSHDSACASA-N 1 1 266.433 2.511 10 0 CFAEMO Cc1nn(C)c(C)c1[C@H](C)N[C@H](CC(C)C)C[NH+](C)C ZINC000045171309 175321213 /nfs/dbraw/zinc/32/12/13/175321213.db2.gz HYKZLHYFHCOFRH-SWLSCSKDSA-N 1 1 280.460 2.664 10 0 CFAEMO Cc1nn(C)c(C)c1[C@H](C)N[C@H](C)C[NH+]1CCCCC1 ZINC000045171218 175321244 /nfs/dbraw/zinc/32/12/44/175321244.db2.gz YPWIPUUPLHCZLO-OLZOCXBDSA-N 1 1 278.444 2.562 10 0 CFAEMO CCn1nc(C)c([C@H](C)[NH2+][C@H](C)CCN(C)C)c1C ZINC000045172566 175322012 /nfs/dbraw/zinc/32/20/12/175322012.db2.gz BVVFLBJRMATFSP-NEPJUHHUSA-N 1 1 266.433 2.511 10 0 CFAEMO CCCN[C@](C)(CC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(=O)OCC ZINC000045224686 175332652 /nfs/dbraw/zinc/33/26/52/175332652.db2.gz YJFYMMWEAMHEBO-HLLBOEOZSA-N 1 1 298.471 2.676 10 0 CFAEMO COC(=O)[C@](C)(CC[N@@H+](C)C1CCCCC1)NC(C)C ZINC000045231314 175334584 /nfs/dbraw/zinc/33/45/84/175334584.db2.gz PFXZJUYTUSXHMT-INIZCTEOSA-N 1 1 284.444 2.571 10 0 CFAEMO CCOC(=O)[C@@](C)(CC[N@@H+](C)C1CCCCC1)NC(C)C ZINC000045231321 175335148 /nfs/dbraw/zinc/33/51/48/175335148.db2.gz LAMTWZIGXLEHSF-QGZVFWFLSA-N 1 1 298.471 2.961 10 0 CFAEMO CCCCC[N@@H+](C)CC[C@](C)(NC1CC1)C(=O)OCC ZINC000045268279 175340844 /nfs/dbraw/zinc/34/08/44/175340844.db2.gz ZMHQYCOSLPIVTI-INIZCTEOSA-N 1 1 284.444 2.572 10 0 CFAEMO CCCN[C@@](C)(CC[N@@H+](C)[C@@H](C)C(C)C)C(=O)OCC ZINC000045269954 175341765 /nfs/dbraw/zinc/34/17/65/175341765.db2.gz HHRGVSITAQBJOV-HOCLYGCPSA-N 1 1 286.460 2.674 10 0 CFAEMO CCC[NH2+][C@](C)(CC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)[O-] ZINC000045272124 175343541 /nfs/dbraw/zinc/34/35/41/175343541.db2.gz BESGGLJVSDJIAU-ZMSDIMECSA-N 1 1 296.455 2.732 10 0 CFAEMO CCN[C@@](C)(CC[N@@H+](C)[C@@H](C)C(C)(C)C)C(=O)OCC ZINC000045274821 175345096 /nfs/dbraw/zinc/34/50/96/175345096.db2.gz MQLUEODPSLXXES-BBRMVZONSA-N 1 1 286.460 2.674 10 0 CFAEMO CCCC[N@@H+](CC[C@](C)(NC(C)C)C(=O)OCC)C1CC1 ZINC000045276378 175346864 /nfs/dbraw/zinc/34/68/64/175346864.db2.gz CEYJZJWMLUZSDY-KRWDZBQOSA-N 1 1 298.471 2.961 10 0 CFAEMO CCOC(=O)[C@@](C)(CC[N@@H+](CC(C)C)C1CC1)NC1CC1 ZINC000045277598 175347305 /nfs/dbraw/zinc/34/73/05/175347305.db2.gz ZCTVKOOKMQOTRL-QGZVFWFLSA-N 1 1 296.455 2.571 10 0 CFAEMO CCCN[C@@](C)(CC[N@@H+](CC(C)C)C1CC1)C(=O)OCC ZINC000045277568 175347333 /nfs/dbraw/zinc/34/73/33/175347333.db2.gz ZRWVHOGNOHIYET-KRWDZBQOSA-N 1 1 298.471 2.818 10 0 CFAEMO CCC(CC)C[N@@H+](CC)C[C@](C)(NC(C)C)C(=O)OC ZINC000045277797 175347712 /nfs/dbraw/zinc/34/77/12/175347712.db2.gz DXXMPONUTQWJIW-INIZCTEOSA-N 1 1 286.460 2.674 10 0 CFAEMO CCCN[C@@](C)(C[N@@H+](CC)CC(CC)CC)C(=O)OC ZINC000045277788 175347731 /nfs/dbraw/zinc/34/77/31/175347731.db2.gz UMKHJSXKISXCNO-INIZCTEOSA-N 1 1 286.460 2.676 10 0 CFAEMO CCCCC[N@@H+](C[C@@](C)(NCC)C(=O)OCC)C(C)C ZINC000045278566 175348091 /nfs/dbraw/zinc/34/80/91/175348091.db2.gz XOOUZCORTIZSLA-MRXNPFEDSA-N 1 1 286.460 2.818 10 0 CFAEMO CCCCC[N@@H+](CC[C@](C)(NC(C)C)C(N)=O)C(C)C ZINC000045278652 175349304 /nfs/dbraw/zinc/34/93/04/175349304.db2.gz SWHMYEZWPZXJKG-INIZCTEOSA-N 1 1 285.476 2.519 10 0 CFAEMO CCCN[C@](C)(CC[N@@H+](C)[C@@H](C)CC(C)C)C(=O)OC ZINC000045280025 175349852 /nfs/dbraw/zinc/34/98/52/175349852.db2.gz BYRVKBNGUNPBAL-GOEBONIOSA-N 1 1 286.460 2.674 10 0 CFAEMO CCOC(=O)[C@](C)(CC[N@@H+](CC1CC1)C(C)C)NC1CC1 ZINC000045281065 175351015 /nfs/dbraw/zinc/35/10/15/175351015.db2.gz SULGYOPKIPZTCT-KRWDZBQOSA-N 1 1 296.455 2.571 10 0 CFAEMO CCCN[C@](C)(CC[N@@H+](C)CCC(C)C)C(=O)OCC ZINC000045281301 175351498 /nfs/dbraw/zinc/35/14/98/175351498.db2.gz MRFJCPVSSXYIOF-MRXNPFEDSA-N 1 1 286.460 2.676 10 0 CFAEMO CCOC(=O)[C@](C)(CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)NC ZINC000045373323 175364950 /nfs/dbraw/zinc/36/49/50/175364950.db2.gz SMFJCALMVGQSRQ-UXLLHSPISA-N 1 1 298.471 2.676 10 0 CFAEMO CCOC(=O)[C@@](C)(CCC[N@@H+](CC)C1CCCCC1)NC ZINC000045372423 175365104 /nfs/dbraw/zinc/36/51/04/175365104.db2.gz ZCTQZNUXMTZVIC-QGZVFWFLSA-N 1 1 298.471 2.962 10 0 CFAEMO CCCN[C@@](C)(CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(=O)OC ZINC000045373609 175365911 /nfs/dbraw/zinc/36/59/11/175365911.db2.gz VKQVBZYECYXWGL-UXLLHSPISA-N 1 1 298.471 2.676 10 0 CFAEMO CC[NH2+][C@@](C)(CCCC[N@@H+](C)C1CCCCC1)C(=O)[O-] ZINC000045379044 175368571 /nfs/dbraw/zinc/36/85/71/175368571.db2.gz SNJNOIZNIFMPEH-INIZCTEOSA-N 1 1 284.444 2.874 10 0 CFAEMO CCN[C@](C)(CCC[N@@H+]1[C@H](C)CCC[C@@H]1C)C(=O)OCC ZINC000045379722 175369165 /nfs/dbraw/zinc/36/91/65/175369165.db2.gz UASFCYKALHAIKH-HLLBOEOZSA-N 1 1 298.471 2.961 10 0 CFAEMO CCOC(=O)[C@@](C)(CCC[N@@H+](CC)CC(C)C)NC1CC1 ZINC000045381897 175369981 /nfs/dbraw/zinc/36/99/81/175369981.db2.gz IRICNZSSXABBKH-QGZVFWFLSA-N 1 1 298.471 2.818 10 0 CFAEMO CC[N@@H+](CCCC[C@@](C)([NH2+]C(C)C)C(=O)[O-])CC(C)C ZINC000045381653 175370067 /nfs/dbraw/zinc/37/00/67/175370067.db2.gz SIFMTEVTFAQOCQ-MRXNPFEDSA-N 1 1 286.460 2.976 10 0 CFAEMO CCC[N@@H+](C)CCCC[C@@](C)(NC(C)C)C(=O)OCC ZINC000045382229 175371299 /nfs/dbraw/zinc/37/12/99/175371299.db2.gz JKDDWRQVPLENBM-MRXNPFEDSA-N 1 1 286.460 2.818 10 0 CFAEMO CCOC(=O)[C@@](C)(CCCC[N@@H+](C)C1CCCC1)NC ZINC000045384673 175371674 /nfs/dbraw/zinc/37/16/74/175371674.db2.gz QKCBWWREMZSLJR-MRXNPFEDSA-N 1 1 284.444 2.572 10 0 CFAEMO CCOC(=O)[C@@](C)(CCC[N@@H+](C)C1CCCC1)NC1CC1 ZINC000045384950 175372460 /nfs/dbraw/zinc/37/24/60/175372460.db2.gz GAAPVUAXSYIUKR-QGZVFWFLSA-N 1 1 296.455 2.715 10 0 CFAEMO CCC[N@@H+](CCCC[C@](C)(NCC)C(=O)OC)C1CC1 ZINC000045387439 175372637 /nfs/dbraw/zinc/37/26/37/175372637.db2.gz JYMWVXOPRIYEBT-INIZCTEOSA-N 1 1 284.444 2.572 10 0 CFAEMO CCCN[C@](C)(CCCC[N@@H+](CC)C1CC1)C(=O)OCC ZINC000045386398 175372650 /nfs/dbraw/zinc/37/26/50/175372650.db2.gz FBCXUUPXQXVOHI-QGZVFWFLSA-N 1 1 298.471 2.962 10 0 CFAEMO CCOC(=O)[C@@](C)(N)CCCC[N@H+](CC)C1CCCC1 ZINC000045390455 175374681 /nfs/dbraw/zinc/37/46/81/175374681.db2.gz JPOVATIZUSYUEY-INIZCTEOSA-N 1 1 284.444 2.702 10 0 CFAEMO CCOC(=O)[C@@](C)(N)CCCC[N@@H+](CC)C1CCCC1 ZINC000045390455 175374682 /nfs/dbraw/zinc/37/46/82/175374682.db2.gz JPOVATIZUSYUEY-INIZCTEOSA-N 1 1 284.444 2.702 10 0 CFAEMO CCOC(=O)[C@](C)(N)CCCC[N@H+](C)C(CC)CC ZINC000045391402 175374875 /nfs/dbraw/zinc/37/48/75/175374875.db2.gz CBIFYPHISRIGQI-OAHLLOKOSA-N 1 1 272.433 2.558 10 0 CFAEMO CCOC(=O)[C@](C)(N)CCCC[N@@H+](C)C(CC)CC ZINC000045391402 175374877 /nfs/dbraw/zinc/37/48/77/175374877.db2.gz CBIFYPHISRIGQI-OAHLLOKOSA-N 1 1 272.433 2.558 10 0 CFAEMO CCC[NH2+][C@@](C)(CCCC[N@@H+](C)[C@@H](C)C1CC1)C(=O)[O-] ZINC000045392796 175375313 /nfs/dbraw/zinc/37/53/13/175375313.db2.gz YVWODPCRYGLODC-BBRMVZONSA-N 1 1 284.444 2.730 10 0 CFAEMO CCOC(=O)[C@](C)(CCCC[N@@H+](C)[C@@H](C)C(C)C)NC ZINC000045391967 175375461 /nfs/dbraw/zinc/37/54/61/175375461.db2.gz HGNHIRFMZRAFJP-HOCLYGCPSA-N 1 1 286.460 2.674 10 0 CFAEMO C[NH2+][C@](C)(CCCC[N@@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000045419119 175377139 /nfs/dbraw/zinc/37/71/39/175377139.db2.gz SBFQZEZUYRUPSI-MRXNPFEDSA-N 1 1 284.444 2.874 10 0 CFAEMO CC(C)[NH2+][C@@](C)(CCC[N@@H+](C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000045421009 175379597 /nfs/dbraw/zinc/37/95/97/175379597.db2.gz RIHGXGFFRXBSAN-BBRMVZONSA-N 1 1 286.460 2.974 10 0 CFAEMO CCCC[N@H+](CCCC[C@@](C)(N)C(=O)OCC)C1CC1 ZINC000045421732 175380358 /nfs/dbraw/zinc/38/03/58/175380358.db2.gz LVDYTQJWFLPYEJ-MRXNPFEDSA-N 1 1 284.444 2.702 10 0 CFAEMO CCCC[N@@H+](CCCC[C@@](C)(N)C(=O)OCC)C1CC1 ZINC000045421732 175380360 /nfs/dbraw/zinc/38/03/60/175380360.db2.gz LVDYTQJWFLPYEJ-MRXNPFEDSA-N 1 1 284.444 2.702 10 0 CFAEMO CC[N@H+](Cc1ccccc1C)C[C@@H](O)COC(C)(C)C ZINC000046055305 175391517 /nfs/dbraw/zinc/39/15/17/175391517.db2.gz DIHTXZFGNDVPGO-MRXNPFEDSA-N 1 1 279.424 2.993 10 0 CFAEMO CC[C@@H]([NH3+])c1nnc(-c2ccc(OC(F)F)cc2)o1 ZINC000061497865 175649392 /nfs/dbraw/zinc/64/93/92/175649392.db2.gz IBEJMEDKXGACFZ-SECBINFHSA-N 1 1 269.251 2.748 10 0 CFAEMO CN(Cc1ccc(Br)cc1)C[C@@H]1CC[N@H+](C)C1 ZINC000071190404 176066765 /nfs/dbraw/zinc/06/67/65/176066765.db2.gz HBOAKXYBWPAQLU-CYBMUJFWSA-N 1 1 297.240 2.833 10 0 CFAEMO CN(Cc1ccc(Br)cc1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190404 176066767 /nfs/dbraw/zinc/06/67/67/176066767.db2.gz HBOAKXYBWPAQLU-CYBMUJFWSA-N 1 1 297.240 2.833 10 0 CFAEMO CCCN(c1ccnc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000071332421 176125581 /nfs/dbraw/zinc/12/55/81/176125581.db2.gz QHXITJYVCFPERS-CYBMUJFWSA-N 1 1 255.365 2.813 10 0 CFAEMO CCCOc1ccc([C@@H]([C@@H](C)N)[NH+]2CCCC2)cc1 ZINC000071594599 176217767 /nfs/dbraw/zinc/21/77/67/176217767.db2.gz RUHSYNBCOXEDAT-CZUORRHYSA-N 1 1 262.397 2.960 10 0 CFAEMO CCOC(=O)c1c[nH+]c2cc(OCC)ccc2c1N(C)C ZINC000072237162 176346161 /nfs/dbraw/zinc/34/61/61/176346161.db2.gz ONUVFEKCZOYUCE-UHFFFAOYSA-N 1 1 288.347 2.876 10 0 CFAEMO CC[C@H]1CN(C(=O)c2cccc(O)c2C)CC[N@H+]1C(C)C ZINC000077376620 177260763 /nfs/dbraw/zinc/26/07/63/177260763.db2.gz TZPFJFLOGPEXLO-AWEZNQCLSA-N 1 1 290.407 2.645 10 0 CFAEMO C[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@H]([NH+](C)CC(=O)[O-])CC2)C1 ZINC000263495108 287395038 /nfs/dbraw/zinc/39/50/38/287395038.db2.gz JMMHUPXXCGOMSL-OAGGEKHMSA-N 1 1 296.455 2.684 10 0 CFAEMO C[C@@H]1CCC[C@@H](C[NH+]2CCC[C@H]([N@H+](C)CC(=O)[O-])CC2)C1 ZINC000263495108 287395040 /nfs/dbraw/zinc/39/50/40/287395040.db2.gz JMMHUPXXCGOMSL-OAGGEKHMSA-N 1 1 296.455 2.684 10 0 CFAEMO C[C@@H]1CCC[C@@H](C[NH+]2CCC[C@H]([N@@H+](C)CC(=O)[O-])CC2)C1 ZINC000263495108 287395042 /nfs/dbraw/zinc/39/50/42/287395042.db2.gz JMMHUPXXCGOMSL-OAGGEKHMSA-N 1 1 296.455 2.684 10 0 CFAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ncc(C)s1 ZINC000180835010 260228915 /nfs/dbraw/zinc/22/89/15/260228915.db2.gz NFMWAQIUDPMIOH-QWHCGFSZSA-N 1 1 265.426 2.510 10 0 CFAEMO FC1(F)CCCC[C@H]1CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000390999904 262375681 /nfs/dbraw/zinc/37/56/81/262375681.db2.gz DBKNCXWUVKTSDA-KBPBESRZSA-N 1 1 272.383 2.982 10 0 CFAEMO Cc1ccc(NCCCNC(=O)N[C@@H](C)C(C)C)[nH+]c1 ZINC000193072831 270235784 /nfs/dbraw/zinc/23/57/84/270235784.db2.gz SUYBUFTTYGBIDT-ZDUSSCGKSA-N 1 1 278.400 2.536 10 0 CFAEMO CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H](C)CCC(C)C)C1 ZINC000194128352 270243283 /nfs/dbraw/zinc/24/32/83/270243283.db2.gz JTMFXWPKQMEEHN-UONOGXRCSA-N 1 1 269.433 2.595 10 0 CFAEMO COCC[N@@H+]1CCN(Cc2cc(Cl)cs2)C[C@H]1C ZINC000194384824 270245701 /nfs/dbraw/zinc/24/57/01/270245701.db2.gz LZVGTCYVYQYBDD-LLVKDONJSA-N 1 1 288.844 2.554 10 0 CFAEMO COCC[N@H+]1CCN(Cc2cc(Cl)cs2)C[C@H]1C ZINC000194384824 270245702 /nfs/dbraw/zinc/24/57/02/270245702.db2.gz LZVGTCYVYQYBDD-LLVKDONJSA-N 1 1 288.844 2.554 10 0 CFAEMO Cc1cc(C)cc(OCCC[N@@H+]2CCC[C@@H](O)[C@H]2C)c1 ZINC000395105350 270311088 /nfs/dbraw/zinc/31/10/88/270311088.db2.gz OWANICIIPKOXJK-NVXWUHKLSA-N 1 1 277.408 2.918 10 0 CFAEMO Cc1cc(C)cc(OCCC[N@@H+]2CCC[C@@H](O)[C@@H]2C)c1 ZINC000395105347 270311225 /nfs/dbraw/zinc/31/12/25/270311225.db2.gz OWANICIIPKOXJK-DOTOQJQBSA-N 1 1 277.408 2.918 10 0 CFAEMO CC[C@@H]1[C@H](CO)CC[N@H+]1C[C@H]1CCCCC1(F)F ZINC000395189677 270311667 /nfs/dbraw/zinc/31/16/67/270311667.db2.gz OCGUUOCMFNBJSU-YNEHKIRRSA-N 1 1 261.356 2.905 10 0 CFAEMO Clc1cc(Cl)cc(CNC[C@H]2CC[NH2+]C2)c1 ZINC000398371138 270321786 /nfs/dbraw/zinc/32/17/86/270321786.db2.gz QSOHPIWFKAKTNY-VIFPVBQESA-N 1 1 259.180 2.693 10 0 CFAEMO O[C@@H]1CC[C@@H]2C[N@@H+](CCOc3ccccc3Cl)C[C@H]2C1 ZINC000398973504 270326076 /nfs/dbraw/zinc/32/60/76/270326076.db2.gz BEJQUIAHMXEXBF-MGPQQGTHSA-N 1 1 295.810 2.812 10 0 CFAEMO C[C@H]1CC[C@H](O)C[N@H+]1Cc1cccc2cccnc21 ZINC000399154854 270326714 /nfs/dbraw/zinc/32/67/14/270326714.db2.gz BARBKEDLVVKEOR-WFASDCNBSA-N 1 1 256.349 2.580 10 0 CFAEMO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000399175451 270327152 /nfs/dbraw/zinc/32/71/52/270327152.db2.gz AWSXZCXUBBUIFK-JSGCOSHPSA-N 1 1 272.348 2.687 10 0 CFAEMO C[C@H]1CC[C@H](O)C[N@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000399175451 270327154 /nfs/dbraw/zinc/32/71/54/270327154.db2.gz AWSXZCXUBBUIFK-JSGCOSHPSA-N 1 1 272.348 2.687 10 0 CFAEMO C[C@H]1CC[C@H](O)C[N@H+]1Cc1cc(-c2ccccc2)no1 ZINC000399193800 270327181 /nfs/dbraw/zinc/32/71/81/270327181.db2.gz KQASWINNELLKBS-JSGCOSHPSA-N 1 1 272.348 2.687 10 0 CFAEMO Cc1cc(C)cc(OCCC[N@@H+]2C[C@@H](O)CC[C@H]2C)c1 ZINC000399507260 270329138 /nfs/dbraw/zinc/32/91/38/270329138.db2.gz YFPIOFQWWAYQHL-CVEARBPZSA-N 1 1 277.408 2.918 10 0 CFAEMO C[C@@H]1CCCC[N@H+]1Cc1cc(=O)oc2ccc(O)cc12 ZINC000004340513 274286568 /nfs/dbraw/zinc/28/65/68/274286568.db2.gz GUHQNJIRYWHGGZ-LLVKDONJSA-N 1 1 273.332 2.873 10 0 CFAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C/C=C\c1ccccc1 ZINC000254886576 274375364 /nfs/dbraw/zinc/37/53/64/274375364.db2.gz XTHKJRGQETUNNC-RDQHTGABSA-N 1 1 256.393 2.868 10 0 CFAEMO Cc1[nH+]ccn1-c1cncc(N2CCCc3occc3C2)n1 ZINC000329327735 274859831 /nfs/dbraw/zinc/85/98/31/274859831.db2.gz KAMODEDXPCAXFI-UHFFFAOYSA-N 1 1 295.346 2.517 10 0 CFAEMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCOc2ccccc21 ZINC000170899780 276159357 /nfs/dbraw/zinc/15/93/57/276159357.db2.gz NPYHHMUOCFVHLS-CABCVRRESA-N 1 1 288.391 2.501 10 0 CFAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1sc(C)cc1OC ZINC000177004001 276182426 /nfs/dbraw/zinc/18/24/26/276182426.db2.gz DJSFHAWHCHWNTC-LBPRGKRZSA-N 1 1 296.436 2.621 10 0 CFAEMO CC(=O)Nc1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000091978957 277074101 /nfs/dbraw/zinc/07/41/01/277074101.db2.gz IJRLMYSQCLJQEN-DLBZAZTESA-N 1 1 288.391 2.788 10 0 CFAEMO COC1(CC[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)CCC1 ZINC000336813375 277183115 /nfs/dbraw/zinc/18/31/15/277183115.db2.gz CGVFHOKJZJBPBX-GDBMZVCRSA-N 1 1 267.413 2.573 10 0 CFAEMO C[N@@H+]1CCc2cc3c(c4c2[C@@H]1Cc1ccc(O)cc1-4)OCO3 ZINC000000898724 277187556 /nfs/dbraw/zinc/18/75/56/277187556.db2.gz DYAAXURJUVSJEZ-AWEZNQCLSA-N 1 1 295.338 2.873 10 0 biogenic,in-vitro CFAEMO C[N@H+]1CCc2cc3c(c4c2[C@@H]1Cc1ccc(O)cc1-4)OCO3 ZINC000000898724 277187557 /nfs/dbraw/zinc/18/75/57/277187557.db2.gz DYAAXURJUVSJEZ-AWEZNQCLSA-N 1 1 295.338 2.873 10 0 biogenic,in-vitro CFAEMO COc1cccc2c(N3CC[N@H+]4CCC[C@@H]4C3)cc(C)nc12 ZINC000178215900 278023998 /nfs/dbraw/zinc/02/39/98/278023998.db2.gz UGAGXXDIRZTKKT-CQSZACIVSA-N 1 1 297.402 2.836 10 0 CFAEMO CC1(C)CCC(C[N@H+]2CCC[C@@](O)(C(N)=O)C2)CC1 ZINC000334249106 278196153 /nfs/dbraw/zinc/19/61/53/278196153.db2.gz SVLAIUVSPCFPSW-HNNXBMFYSA-N 1 1 268.401 2.565 10 0 CFAEMO C[C@@H]([NH2+][C@@H]1CC(=O)N(C)c2ccccc21)c1cccnc1 ZINC000037229082 278367204 /nfs/dbraw/zinc/36/72/04/278367204.db2.gz XXZPLCSDVRNUCE-IUODEOHRSA-N 1 1 281.359 2.840 10 0 CFAEMO CC[N@H+]1CCC[C@H](NC(=O)C2(CC)CCCCC2)C1 ZINC000184110356 279318281 /nfs/dbraw/zinc/31/82/81/279318281.db2.gz DHCSQRBVLWPEOE-AWEZNQCLSA-N 1 1 266.429 2.947 10 0 CFAEMO CC[C@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246560759 288160330 /nfs/dbraw/zinc/16/03/30/288160330.db2.gz UUHHAUYFEXCJTG-NXHRZFHOSA-N 1 1 288.435 2.790 10 0 CFAEMO C[C@@H]1C[N@@H+](C[C@H](O)COC(C)(C)C)[C@H]2CCCC[C@H]12 ZINC000182473497 288198843 /nfs/dbraw/zinc/19/88/43/288198843.db2.gz HMAIDJLBSVUAKZ-BARDWOONSA-N 1 1 269.429 2.673 10 0 CFAEMO O=C(c1ccc(F)c(F)c1)N1CC[NH2+]Cc2ccccc21 ZINC000062818439 280185494 /nfs/dbraw/zinc/18/54/94/280185494.db2.gz DTZHMPQBWBHUHY-UHFFFAOYSA-N 1 1 288.297 2.715 10 0 CFAEMO Cc1cc(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc(C)c1F ZINC000135680988 280330608 /nfs/dbraw/zinc/33/06/08/280330608.db2.gz YHPMVQIGDNBCAU-OAHLLOKOSA-N 1 1 290.382 2.753 10 0 CFAEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N2C[C@@H]3CCCC[C@@H]3C2)C1 ZINC000247019082 281003388 /nfs/dbraw/zinc/00/33/88/281003388.db2.gz HIPYEGDGIKSRFG-LVQVYYBASA-N 1 1 293.455 2.547 10 0 CFAEMO c1ccc2c(c1)CCC[C@@H]2N1CC[N@H+]2CCC[C@H]2C1 ZINC000247433814 281011625 /nfs/dbraw/zinc/01/16/25/281011625.db2.gz WWERHAYVFJFYLH-RDJZCZTQSA-N 1 1 256.393 2.844 10 0 CFAEMO c1ccc2c(c1)CCC[C@@H]2[N@H+]1CCN2CCC[C@H]2C1 ZINC000247433814 281011627 /nfs/dbraw/zinc/01/16/27/281011627.db2.gz WWERHAYVFJFYLH-RDJZCZTQSA-N 1 1 256.393 2.844 10 0 CFAEMO c1ccc2c(c1)CCC[C@@H]2[N@@H+]1CCN2CCC[C@H]2C1 ZINC000247433814 281011629 /nfs/dbraw/zinc/01/16/29/281011629.db2.gz WWERHAYVFJFYLH-RDJZCZTQSA-N 1 1 256.393 2.844 10 0 CFAEMO C[C@H]1C[N@@H+](CC[C@H]2CCC[C@@H](C)C2)C[C@@H]1N1CCOCC1 ZINC000247463334 281012708 /nfs/dbraw/zinc/01/27/08/281012708.db2.gz UPPXUZCHAXCZOO-XDNAFOTISA-N 1 1 294.483 2.855 10 0 CFAEMO CC[C@H]1CN(Cc2cc(C)sc2C)CC[N@H+]1C[C@H](C)O ZINC000247562954 281013963 /nfs/dbraw/zinc/01/39/63/281013963.db2.gz GFTJLQAZGDAPJE-LRDDRELGSA-N 1 1 296.480 2.642 10 0 CFAEMO CC[C@H]1C[N@H+](Cc2cc(C)sc2C)CCN1C[C@H](C)O ZINC000247562954 281013966 /nfs/dbraw/zinc/01/39/66/281013966.db2.gz GFTJLQAZGDAPJE-LRDDRELGSA-N 1 1 296.480 2.642 10 0 CFAEMO CC[C@H]1C[N@@H+](Cc2cc(C)sc2C)CCN1C[C@H](C)O ZINC000247562954 281013969 /nfs/dbraw/zinc/01/39/69/281013969.db2.gz GFTJLQAZGDAPJE-LRDDRELGSA-N 1 1 296.480 2.642 10 0 CFAEMO c1cc(CC[N@H+]2CCO[C@H]3CCCC[C@H]32)cc2c1OCC2 ZINC000247693870 281015890 /nfs/dbraw/zinc/01/58/90/281015890.db2.gz WJNNVSKBTIATIT-AEFFLSMTSA-N 1 1 287.403 2.807 10 0 CFAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)C2CCC(F)(F)CC2)C1 ZINC000247983302 281017559 /nfs/dbraw/zinc/01/75/59/281017559.db2.gz HWTTVWRSADKBDH-WCQYABFASA-N 1 1 288.382 2.657 10 0 CFAEMO COc1c(C[N@H+]2C[C@H](C)[C@@H]3CCCC[C@@H]32)c(C)nn1C ZINC000248373550 281020357 /nfs/dbraw/zinc/02/03/57/281020357.db2.gz JRCXOOCCWKAROU-WHOFXGATSA-N 1 1 277.412 2.748 10 0 CFAEMO CC[C@@H]1CCC[C@H](C[N@H+]2CCN(C[C@H](C)O)[C@H](CC)C2)C1 ZINC000248448338 281022633 /nfs/dbraw/zinc/02/26/33/281022633.db2.gz DMCMRFYCIVOYLJ-XWTMOSNGSA-N 1 1 296.499 2.980 10 0 CFAEMO 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COc1ccc([C@@H](C)NCC[C@H]2CCC[N@H+]2C)cc1OC ZINC000180892204 189282030 /nfs/dbraw/zinc/28/20/30/189282030.db2.gz PJRAOTUMQZWAHZ-UKRRQHHQSA-N 1 1 292.423 2.839 10 0 CFAEMO CC(C)c1nnc(C[NH2+][C@@H](C)c2ccccc2)n1C ZINC000181372875 189295085 /nfs/dbraw/zinc/29/50/85/189295085.db2.gz RTBHXUCKKCBNIJ-LBPRGKRZSA-N 1 1 258.369 2.789 10 0 CFAEMO Cc1cccc(CCC[N@H+]2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000181112715 189288974 /nfs/dbraw/zinc/28/89/74/189288974.db2.gz BGUGFDLDZJVHOF-GOSISDBHSA-N 1 1 298.434 2.931 10 0 CFAEMO CC(C)NC(=O)CC[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000181270294 189292804 /nfs/dbraw/zinc/29/28/04/189292804.db2.gz PTDOZGZCMOQFIP-KRWDZBQOSA-N 1 1 286.375 2.873 10 0 CFAEMO C[C@@H]([NH2+]Cc1nnc(C2CC2)n1C)c1cccs1 ZINC000182540825 189327448 /nfs/dbraw/zinc/32/74/48/189327448.db2.gz UXNZMUOSFUIIPY-SECBINFHSA-N 1 1 262.382 2.605 10 0 CFAEMO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2C[C@H](C)C[C@H](C)C2)o1 ZINC000183066755 189345276 /nfs/dbraw/zinc/34/52/76/189345276.db2.gz IPACATQGAGIKBE-MBNYWOFBSA-N 1 1 278.396 2.743 10 0 CFAEMO C[C@@H]1CCC[N@H+]1C1CCN(c2nc(C3CC3)ns2)CC1 ZINC000301752494 201176060 /nfs/dbraw/zinc/17/60/60/201176060.db2.gz BOFOAWUMQXVXHW-LLVKDONJSA-N 1 1 292.452 2.869 10 0 CFAEMO O=[S@](CCNc1[nH]c2ccccc2[nH+]1)Cc1ccccc1 ZINC000301888064 201249910 /nfs/dbraw/zinc/24/99/10/201249910.db2.gz PUGLJTLGYBZYKP-OAQYLSRUSA-N 1 1 299.399 2.924 10 0 CFAEMO CCc1cc(N[C@@H]2CCCCC[C@@H]2CO)nc(C)[nH+]1 ZINC000302101033 201343007 /nfs/dbraw/zinc/34/30/07/201343007.db2.gz PWPJCVGHMOAAJR-TZMCWYRMSA-N 1 1 263.385 2.701 10 0 CFAEMO c1ccc2c(c1)CC[C@@H]2[N@H+]1CCN2CCCC[C@@H]2C1 ZINC000682068852 541286456 /nfs/dbraw/zinc/28/64/56/541286456.db2.gz GSVIOOQXUOXHSI-WBVHZDCISA-N 1 1 256.393 2.844 10 0 CFAEMO c1ccc2c(c1)CC[C@@H]2N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000682068852 541286457 /nfs/dbraw/zinc/28/64/57/541286457.db2.gz GSVIOOQXUOXHSI-WBVHZDCISA-N 1 1 256.393 2.844 10 0 CFAEMO c1ccc2c(c1)CC[C@@H]2N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000682068852 541286461 /nfs/dbraw/zinc/28/64/61/541286461.db2.gz GSVIOOQXUOXHSI-WBVHZDCISA-N 1 1 256.393 2.844 10 0 CFAEMO FC(F)(F)C1C[NH+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000336189071 294661696 /nfs/dbraw/zinc/66/16/96/294661696.db2.gz ZOKHFFKLXLPMQB-LLVKDONJSA-N 1 1 263.303 2.972 10 0 CFAEMO C[N@@H+](CCc1ccccc1)[C@H]1CCCN(Cc2ccon2)C1 ZINC000019229331 372151664 /nfs/dbraw/zinc/15/16/64/372151664.db2.gz JNZUVHJWKMZQOP-SFHVURJKSA-N 1 1 299.418 2.814 10 0 CFAEMO O=C1NCC[C@@H]1[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000034629486 372509917 /nfs/dbraw/zinc/50/99/17/372509917.db2.gz MTHOAZGOLXISIQ-KRWDZBQOSA-N 1 1 280.371 2.577 10 0 CFAEMO CC[C@H](O)C[N@@H+](CCCOC)Cc1ccc(C)s1 ZINC000036101428 372558390 /nfs/dbraw/zinc/55/83/90/372558390.db2.gz YIWAYBGFXQRIKZ-ZDUSSCGKSA-N 1 1 271.426 2.666 10 0 CFAEMO C[C@@H](O)C[N@@H+](Cc1ccco1)Cc1cccc(F)c1 ZINC000036104271 372559910 /nfs/dbraw/zinc/55/99/10/372559910.db2.gz VIOZGGBPRBIYKF-GFCCVEGCSA-N 1 1 263.312 2.802 10 0 CFAEMO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)o1 ZINC000037980981 372747767 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CC(C)[N@@H+]1C[C@H](NC(=O)Nc2cccnc2Cl)[C@@H](C)C1 ZINC000150859162 378276942 /nfs/dbraw/zinc/27/69/42/378276942.db2.gz ASOUQPKJMSTAKW-JQWIXIFHSA-N 1 1 296.802 2.585 10 0 CFAEMO Cn1cc([C@@H]2CC[N@@H+](CCc3ccccc3F)C2)cn1 ZINC000137606048 378226811 /nfs/dbraw/zinc/22/68/11/378226811.db2.gz RSLQOBFHKGTXLQ-CQSZACIVSA-N 1 1 273.355 2.591 10 0 CFAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C2CC=CC2)C1 ZINC000151704985 378350688 /nfs/dbraw/zinc/35/06/88/378350688.db2.gz YMUDAQHVDDVAJM-CQSZACIVSA-N 1 1 273.380 2.575 10 0 CFAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCC1=CCCC1 ZINC000152103343 378395101 /nfs/dbraw/zinc/39/51/01/378395101.db2.gz DKTOAAXNHLIZGQ-JKSUJKDBSA-N 1 1 291.439 2.755 10 0 CFAEMO CCC(C)(C)NC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000152398148 378413064 /nfs/dbraw/zinc/41/30/64/378413064.db2.gz MGMGZHBTWHLDKD-CYBMUJFWSA-N 1 1 269.433 2.595 10 0 CFAEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1[C@H](C)CC[C@@H]1C ZINC000152426443 378415360 /nfs/dbraw/zinc/41/53/60/378415360.db2.gz 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2.765 10 0 CFAEMO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCN1CCN(C)CC1 ZINC000020128348 171014823 /nfs/dbraw/zinc/01/48/23/171014823.db2.gz MRMPTFGZKCWEEH-SQNIBIBYSA-N 1 1 295.515 2.674 10 0 CFAEMO CC(C)[NH+]1CCC(N[C@H](CN(C)C)c2ccccc2)CC1 ZINC000020129265 171016985 /nfs/dbraw/zinc/01/69/85/171016985.db2.gz PBHPMBWIGVCCHC-GOSISDBHSA-N 1 1 289.467 2.752 10 0 CFAEMO Brc1ccc(C[NH2+]Cc2ccncc2)o1 ZINC000020139745 171026626 /nfs/dbraw/zinc/02/66/26/171026626.db2.gz ZNPYYEOVRLAAJD-UHFFFAOYSA-N 1 1 267.126 2.727 10 0 CFAEMO Nc1cccc(CC[N@H+]2CCc3ccccc3C2)c1 ZINC000020192018 171058448 /nfs/dbraw/zinc/05/84/48/171058448.db2.gz YNMQYWGUJJMECA-UHFFFAOYSA-N 1 1 252.361 2.870 10 0 CFAEMO C[N@H+](CCc1ccccc1)[C@H](CN)c1cccs1 ZINC000020225349 171087170 /nfs/dbraw/zinc/08/71/70/171087170.db2.gz ZFSMAKMGCBTKBY-CQSZACIVSA-N 1 1 260.406 2.922 10 0 CFAEMO C[N@@H+](CCc1ccccc1)[C@H](CN)c1cccs1 ZINC000020225349 171087172 /nfs/dbraw/zinc/08/71/72/171087172.db2.gz ZFSMAKMGCBTKBY-CQSZACIVSA-N 1 1 260.406 2.922 10 0 CFAEMO [NH3+][C@@H](CN1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000020260101 171116110 /nfs/dbraw/zinc/11/61/10/171116110.db2.gz WPFSGASQSLRNND-LBPRGKRZSA-N 1 1 258.287 2.801 10 0 CFAEMO C[C@H]([NH2+]Cc1ccccc1F)C(=O)N1CCCCCC1 ZINC000020317099 171147070 /nfs/dbraw/zinc/14/70/70/171147070.db2.gz NLFBXJRLILNALP-ZDUSSCGKSA-N 1 1 278.371 2.706 10 0 CFAEMO CC[N@H+]1CCC[C@@H]1CNc1c(N)cccc1Cl ZINC000020384054 171174445 /nfs/dbraw/zinc/17/44/45/171174445.db2.gz JFTFZHYNQXPJOZ-SNVBAGLBSA-N 1 1 253.777 2.818 10 0 CFAEMO C[C@@H]1CCCC[N@H+]1CCCN1C(=S)N=NC1C1CC1 ZINC000020589287 171260303 /nfs/dbraw/zinc/26/03/03/171260303.db2.gz WAYQDGQJHLJGEI-LLVKDONJSA-N 1 1 280.441 2.709 10 0 CFAEMO CCOc1ccc(C(=O)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000020805877 171273334 /nfs/dbraw/zinc/27/33/34/171273334.db2.gz TWWCARZLASMXTF-HNNXBMFYSA-N 1 1 255.317 2.968 10 0 CFAEMO Cc1cc(N)ccc1NC(=O)[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000022153215 171359909 /nfs/dbraw/zinc/35/99/09/171359909.db2.gz RCDYOQVRAIUZOB-STQMWFEESA-N 1 1 275.396 2.779 10 0 CFAEMO C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(F)cc1N ZINC000022152991 171359999 /nfs/dbraw/zinc/35/99/99/171359999.db2.gz VGDCJDBSHJCUPS-NSHDSACASA-N 1 1 279.359 2.611 10 0 CFAEMO C[C@@H](C(=O)Nc1ccc(Cl)cc1N)[N@H+]1CCC[C@@H](C)C1 ZINC000022155966 171362658 /nfs/dbraw/zinc/36/26/58/171362658.db2.gz LAYOITQBSITGFG-MNOVXSKESA-N 1 1 295.814 2.981 10 0 CFAEMO NC[C@H](C1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000022177166 171371075 /nfs/dbraw/zinc/37/10/75/171371075.db2.gz ROHQPHBGGGNHGM-QGZVFWFLSA-N 1 1 258.409 2.952 10 0 CFAEMO NC[C@H](C1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000022177166 171371077 /nfs/dbraw/zinc/37/10/77/171371077.db2.gz ROHQPHBGGGNHGM-QGZVFWFLSA-N 1 1 258.409 2.952 10 0 CFAEMO CC(C)[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1N ZINC000022211059 171373274 /nfs/dbraw/zinc/37/32/74/171373274.db2.gz OQNHGQWTKAZZCD-VIFPVBQESA-N 1 1 269.776 2.589 10 0 CFAEMO C[N@@H+](CC(=O)Nc1ccc(F)c(N)c1)C1CCCCC1 ZINC000022215001 171375262 /nfs/dbraw/zinc/37/52/62/171375262.db2.gz PUPUNZZVKNDKDB-UHFFFAOYSA-N 1 1 279.359 2.611 10 0 CFAEMO COc1ccc([C@H](CN)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1OC ZINC000022222190 171378574 /nfs/dbraw/zinc/37/85/74/171378574.db2.gz FLZDUEPXVIBJSK-NFAWXSAZSA-N 1 1 292.423 2.682 10 0 CFAEMO COc1ccc([C@@H](CN)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1OC ZINC000022222188 171378703 /nfs/dbraw/zinc/37/87/03/171378703.db2.gz FLZDUEPXVIBJSK-UMVBOHGHSA-N 1 1 292.423 2.682 10 0 CFAEMO COc1ccc(C)cc1[C@@H](N)C[N@H+]1CCCC[C@@H]1C ZINC000022565491 171391731 /nfs/dbraw/zinc/39/17/31/171391731.db2.gz PFJDRLLFEKLTBE-ZFWWWQNUSA-N 1 1 262.397 2.878 10 0 CFAEMO COc1ccc(C)cc1[C@@H]([NH3+])CN1CCCC[C@@H]1C ZINC000022565491 171391732 /nfs/dbraw/zinc/39/17/32/171391732.db2.gz PFJDRLLFEKLTBE-ZFWWWQNUSA-N 1 1 262.397 2.878 10 0 CFAEMO C[C@H]1CCC[C@H](C)N1C[C@@H]([NH3+])c1ccc2c(c1)OCO2 ZINC000022565093 171391868 /nfs/dbraw/zinc/39/18/68/171391868.db2.gz JNDUIUKGYQJKES-SGMGOOAPSA-N 1 1 276.380 2.678 10 0 CFAEMO C[C@H]1CCCC[N@@H+]1C[C@@H](N)c1ccc(F)cc1F ZINC000022567147 171392403 /nfs/dbraw/zinc/39/24/03/171392403.db2.gz FGYBEDVFZAABNS-IINYFYTJSA-N 1 1 254.324 2.839 10 0 CFAEMO C[C@H]1CCCC[N@H+]1C[C@@H](N)c1ccc(F)cc1F ZINC000022567147 171392405 /nfs/dbraw/zinc/39/24/05/171392405.db2.gz FGYBEDVFZAABNS-IINYFYTJSA-N 1 1 254.324 2.839 10 0 CFAEMO CCC(C)(C)OCC[NH2+]Cc1csc(COC)n1 ZINC000651618911 413532677 /nfs/dbraw/zinc/53/26/77/413532677.db2.gz ZPNVUWSQKBAOCN-UHFFFAOYSA-N 1 1 272.414 2.584 10 0 CFAEMO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCCCC1)c1ccco1 ZINC000035139774 172008500 /nfs/dbraw/zinc/00/85/00/172008500.db2.gz CONXCXREIMQFIE-OLZOCXBDSA-N 1 1 264.369 2.721 10 0 CFAEMO C[C@H]([NH2+]Cc1nccn1C(F)F)c1ccncc1 ZINC000035693303 172362085 /nfs/dbraw/zinc/36/20/85/172362085.db2.gz CRTLKAAROWODCT-VIFPVBQESA-N 1 1 252.268 2.524 10 0 CFAEMO CN(Cc1cccs1)C[C@@H](C[NH3+])c1ccccc1 ZINC000035731491 172381534 /nfs/dbraw/zinc/38/15/34/172381534.db2.gz QGGFWPYNELESHM-CQSZACIVSA-N 1 1 260.406 2.922 10 0 CFAEMO CN(Cc1cccs1)C[C@H](C[NH3+])c1ccccc1 ZINC000035731492 172381813 /nfs/dbraw/zinc/38/18/13/172381813.db2.gz QGGFWPYNELESHM-AWEZNQCLSA-N 1 1 260.406 2.922 10 0 CFAEMO C[N@@H+](C[C@@H]1CC(c2ccc(Cl)cc2)=NO1)CC(C)(C)O ZINC000035743074 172394970 /nfs/dbraw/zinc/39/49/70/172394970.db2.gz NLVWHPBGLGRSBV-ZDUSSCGKSA-N 1 1 296.798 2.536 10 0 CFAEMO CC[C@H](C)C[N@@H+](C)CCC(=O)Nc1ccccc1N ZINC000037172293 173005872 /nfs/dbraw/zinc/00/58/72/173005872.db2.gz GLDZAMHGAFCJGI-LBPRGKRZSA-N 1 1 263.385 2.575 10 0 CFAEMO CC[C@H](C)C[N@@H+](C)C[C@H](N)c1ccc(OC)cc1 ZINC000037172979 173007013 /nfs/dbraw/zinc/00/70/13/173007013.db2.gz BMSZNAYERVJMQY-WFASDCNBSA-N 1 1 250.386 2.673 10 0 CFAEMO CC[C@H](C)CN(C)C[C@H]([NH3+])c1ccc(OC)cc1 ZINC000037172979 173007014 /nfs/dbraw/zinc/00/70/14/173007014.db2.gz BMSZNAYERVJMQY-WFASDCNBSA-N 1 1 250.386 2.673 10 0 CFAEMO CC[C@@H](C)C[N@@H+](C)Cc1ccccc1C(N)=S ZINC000037173242 173007349 /nfs/dbraw/zinc/00/73/49/173007349.db2.gz KQUJKXMBQKNBRQ-LLVKDONJSA-N 1 1 250.411 2.799 10 0 CFAEMO CC[C@@H](C)C[N@@H+](C)Cc1cccc(C(N)=S)c1 ZINC000037173230 173007393 /nfs/dbraw/zinc/00/73/93/173007393.db2.gz HSXUBSIWYAKDHD-LLVKDONJSA-N 1 1 250.411 2.799 10 0 CFAEMO C[N@H+]1CCCC[C@@H]1CCSc1ncccc1N ZINC000037190352 173019834 /nfs/dbraw/zinc/01/98/34/173019834.db2.gz IXZUICGQDWCPFE-LLVKDONJSA-N 1 1 251.399 2.630 10 0 CFAEMO CC[N@H+]1CCC[C@H]([C@@H](C)Nc2ccc(OC)nc2)C1 ZINC000037208582 173030247 /nfs/dbraw/zinc/03/02/47/173030247.db2.gz XSWGIAPCUQGUQO-OLZOCXBDSA-N 1 1 263.385 2.623 10 0 CFAEMO CC[N@@H+]1CCC[C@H]([C@@H](C)NCc2cccs2)C1 ZINC000037221151 173040438 /nfs/dbraw/zinc/04/04/38/173040438.db2.gz CFTDONRFUZADAJ-OLZOCXBDSA-N 1 1 252.427 2.958 10 0 CFAEMO CC[N@H+]1CCC[C@H]([C@@H](C)NCc2cccs2)C1 ZINC000037221151 173040440 /nfs/dbraw/zinc/04/04/40/173040440.db2.gz CFTDONRFUZADAJ-OLZOCXBDSA-N 1 1 252.427 2.958 10 0 CFAEMO COC(=O)c1ccccc1C[NH2+][C@@H](C)c1cccnc1 ZINC000037228873 173049235 /nfs/dbraw/zinc/04/92/35/173049235.db2.gz MYCZFGGJYLXKPV-LBPRGKRZSA-N 1 1 270.332 2.719 10 0 CFAEMO COC(=O)[C@H](CC(C)C)[NH2+][C@H]1CCc2ccccc2C1 ZINC000037283272 173091167 /nfs/dbraw/zinc/09/11/67/173091167.db2.gz GHIZZGFOXICSQQ-HOTGVXAUSA-N 1 1 275.392 2.721 10 0 CFAEMO C[C@H](C(=O)c1ccc(Br)cc1)[NH+](C)C ZINC000037333553 173134725 /nfs/dbraw/zinc/13/47/25/173134725.db2.gz WXJGXKHSPNHQAH-MRVPVSSYSA-N 1 1 256.143 2.582 10 0 CFAEMO CC[N@H+](CC(=O)c1ccc(OC)c(F)c1)C(C)C ZINC000037334496 173135607 /nfs/dbraw/zinc/13/56/07/173135607.db2.gz UPAYGPIMGKPUIZ-UHFFFAOYSA-N 1 1 253.317 2.747 10 0 CFAEMO CC[N@@H+](CC(=O)c1ccc(OC)c(F)c1)C(C)C ZINC000037334496 173135610 /nfs/dbraw/zinc/13/56/10/173135610.db2.gz UPAYGPIMGKPUIZ-UHFFFAOYSA-N 1 1 253.317 2.747 10 0 CFAEMO CC[C@@H](C)[N@H+](C)CC(=O)c1ccc(OC)c(F)c1 ZINC000037336092 173136394 /nfs/dbraw/zinc/13/63/94/173136394.db2.gz HHIHXLYOOLDQQA-SNVBAGLBSA-N 1 1 253.317 2.747 10 0 CFAEMO CC[C@@H](C)[N@@H+](C)CC(=O)c1ccc(OC)c(F)c1 ZINC000037336092 173136397 /nfs/dbraw/zinc/13/63/97/173136397.db2.gz HHIHXLYOOLDQQA-SNVBAGLBSA-N 1 1 253.317 2.747 10 0 CFAEMO CC[C@H](C)C[N@H+](C)CC(=O)c1ccc(OC)c(F)c1 ZINC000037337147 173137755 /nfs/dbraw/zinc/13/77/55/173137755.db2.gz HVUPUSARPFLDRP-NSHDSACASA-N 1 1 267.344 2.995 10 0 CFAEMO CC[C@H](C)C[N@@H+](C)CC(=O)c1ccc(OC)c(F)c1 ZINC000037337147 173137758 /nfs/dbraw/zinc/13/77/58/173137758.db2.gz HVUPUSARPFLDRP-NSHDSACASA-N 1 1 267.344 2.995 10 0 CFAEMO CCOc1ccccc1C(=O)C[N@H+](C)[C@@H](C)C1CC1 ZINC000037338796 173140178 /nfs/dbraw/zinc/14/01/78/173140178.db2.gz OXJZIJKOTYPHAG-LBPRGKRZSA-N 1 1 261.365 2.998 10 0 CFAEMO CCOc1ccccc1C(=O)C[N@@H+](C)[C@@H](C)C1CC1 ZINC000037338796 173140181 /nfs/dbraw/zinc/14/01/81/173140181.db2.gz OXJZIJKOTYPHAG-LBPRGKRZSA-N 1 1 261.365 2.998 10 0 CFAEMO COC(C[NH2+]Cc1ccc(Cl)cc1Cl)OC ZINC000037389052 173172571 /nfs/dbraw/zinc/17/25/71/173172571.db2.gz JTAHMMVOHGZJLE-UHFFFAOYSA-N 1 1 264.152 2.702 10 0 CFAEMO CC[C@H]([NH3+])c1nc2ccc(Br)cc2[nH]1 ZINC000037441145 173210428 /nfs/dbraw/zinc/21/04/28/173210428.db2.gz QRZDFXJKLXGREI-ZETCQYMHSA-N 1 1 254.131 2.735 10 0 CFAEMO CC(C)[NH2+]CCc1nc2ccc(Br)cc2[nH]1 ZINC000037474947 173227794 /nfs/dbraw/zinc/22/77/94/173227794.db2.gz CGYJGJHNRLIZPJ-UHFFFAOYSA-N 1 1 282.185 2.866 10 0 CFAEMO CCC[NH2+][C@H](c1cnccn1)c1ccccc1OC ZINC000037536096 173255079 /nfs/dbraw/zinc/25/50/79/173255079.db2.gz LCZXDXKGTBJZAM-HNNXBMFYSA-N 1 1 257.337 2.574 10 0 CFAEMO Cc1ccccc1C[NH2+]Cc1nc2ccccc2c(=O)[nH]1 ZINC000037853384 173804792 /nfs/dbraw/zinc/80/47/92/173804792.db2.gz JPRQMMIBKFKXKY-UHFFFAOYSA-N 1 1 279.343 2.521 10 0 CFAEMO CCN1CCC([NH2+][C@@H](C)c2scnc2C)CC1 ZINC000038098219 174113552 /nfs/dbraw/zinc/11/35/52/174113552.db2.gz CDDLZJMRDJZTSU-NSHDSACASA-N 1 1 253.415 2.586 10 0 CFAEMO C[C@H](c1cccc(Cl)c1)N(C)C(=O)[C@H]1CSC[NH2+]1 ZINC000038101358 174116851 /nfs/dbraw/zinc/11/68/51/174116851.db2.gz DLCKIZXQQCLSJG-BXKDBHETSA-N 1 1 284.812 2.522 10 0 CFAEMO CCOc1ccc([C@@H](CN)[NH+]2CCCCCC2)cc1 ZINC000038827579 174156482 /nfs/dbraw/zinc/15/64/82/174156482.db2.gz LFDFLWIJSDIACU-MRXNPFEDSA-N 1 1 262.397 2.961 10 0 CFAEMO O[C@@H](Cc1[nH]cc[nH+]1)c1cc(Cl)cc(Cl)c1 ZINC000040261513 174217201 /nfs/dbraw/zinc/21/72/01/174217201.db2.gz SKBQTHXQBLBVHA-JTQLQIEISA-N 1 1 257.120 2.993 10 0 CFAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C[C@H](OC)C1CCCC1 ZINC000660108847 414663679 /nfs/dbraw/zinc/66/36/79/414663679.db2.gz CYQIBHDMSJKSLN-IKGGRYGDSA-N 1 1 280.456 2.750 10 0 CFAEMO CC[C@@H]1CN2CCC[C@H]2C[N@@H+]1C[C@H](OC)C1CCCC1 ZINC000660108847 414663680 /nfs/dbraw/zinc/66/36/80/414663680.db2.gz CYQIBHDMSJKSLN-IKGGRYGDSA-N 1 1 280.456 2.750 10 0 CFAEMO CC[C@@H]1CN2CCC[C@H]2C[N@H+]1C[C@H](OC)C1CCCC1 ZINC000660108847 414663682 /nfs/dbraw/zinc/66/36/82/414663682.db2.gz CYQIBHDMSJKSLN-IKGGRYGDSA-N 1 1 280.456 2.750 10 0 CFAEMO COc1ccc(-c2nc([C@@H]3CCCC[NH2+]3)no2)cc1 ZINC000040443354 174263597 /nfs/dbraw/zinc/26/35/97/174263597.db2.gz UVMJUYYIYVZHHU-LBPRGKRZSA-N 1 1 259.309 2.560 10 0 CFAEMO Cn1c(Cl)cnc1C[NH2+]Cc1cc2c(s1)CCC2 ZINC000040627352 174356929 /nfs/dbraw/zinc/35/69/29/174356929.db2.gz DUBXBYLHRXEVSR-UHFFFAOYSA-N 1 1 281.812 2.914 10 0 CFAEMO Cn1cc[nH+]c1CCNc1nc2ccccc2s1 ZINC000040639664 174363523 /nfs/dbraw/zinc/36/35/23/174363523.db2.gz LTDZUIOEZJPBSC-UHFFFAOYSA-N 1 1 258.350 2.684 10 0 CFAEMO CC[N@H+]1CCC[C@H]([C@@H](C)NCc2cccc3c2OCO3)C1 ZINC000040667123 174366421 /nfs/dbraw/zinc/36/64/21/174366421.db2.gz SRJRRDIDJIEQLG-HIFRSBDPSA-N 1 1 290.407 2.625 10 0 CFAEMO CCOC1CCN(C2(C[NH3+])CCC(CC)CC2)CC1 ZINC000040678769 174374909 /nfs/dbraw/zinc/37/49/09/174374909.db2.gz PSYYNPJHWFSHLD-UHFFFAOYSA-N 1 1 268.445 2.785 10 0 CFAEMO CCOC1CC[NH+]([C@@H](C)C(=O)c2ccc(OC)cc2)CC1 ZINC000040689722 174376424 /nfs/dbraw/zinc/37/64/24/174376424.db2.gz XTINEBBAZOYVPN-ZDUSSCGKSA-N 1 1 291.391 2.767 10 0 CFAEMO CCOC1CCN([C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000040689330 174376486 /nfs/dbraw/zinc/37/64/86/174376486.db2.gz KKIQFNRJKOKVEY-GJZGRUSLSA-N 1 1 254.418 2.537 10 0 CFAEMO CCOC1CC[NH+]([C@H]2CCCCCC[C@@H]2N)CC1 ZINC000040689330 174376487 /nfs/dbraw/zinc/37/64/87/174376487.db2.gz KKIQFNRJKOKVEY-GJZGRUSLSA-N 1 1 254.418 2.537 10 0 CFAEMO C[N@H+]1CCC[C@@H](n2c3ccc(F)cc3[nH]c2=S)C1 ZINC000040715929 174383272 /nfs/dbraw/zinc/38/32/72/174383272.db2.gz GXUQXZSUYFQFSU-SNVBAGLBSA-N 1 1 265.357 2.731 10 0 CFAEMO Cc1cc(N)ccc1NC(=O)CCC[N@@H+]1CC[C@@H](C)C1 ZINC000040716863 174384090 /nfs/dbraw/zinc/38/40/90/174384090.db2.gz RNSSKBIWZPTOQR-GFCCVEGCSA-N 1 1 275.396 2.638 10 0 CFAEMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2N)C1 ZINC000040716851 174384352 /nfs/dbraw/zinc/38/43/52/174384352.db2.gz GREOZOYREULYME-JTQLQIEISA-N 1 1 281.787 2.593 10 0 CFAEMO C[C@@H](C(=O)Nc1cc(Cl)ccc1N)[N@H+]1CC[C@@H](C)C1 ZINC000040716878 174384399 /nfs/dbraw/zinc/38/43/99/174384399.db2.gz LRSDPBZVQVYQFO-ZJUUUORDSA-N 1 1 281.787 2.591 10 0 CFAEMO C[C@H]1CC[N@@H+](CCCC(=O)Nc2ccc(Cl)cc2N)C1 ZINC000040716847 174384429 /nfs/dbraw/zinc/38/44/29/174384429.db2.gz BTKQAEWPQHUKAO-NSHDSACASA-N 1 1 295.814 2.983 10 0 CFAEMO C[C@@H]1CC[N@@H+]([C@@H](CN)c2ccc(OC(F)F)cc2)C1 ZINC000040717480 174384791 /nfs/dbraw/zinc/38/47/91/174384791.db2.gz CFRPTEQXONGXJY-MFKMUULPSA-N 1 1 270.323 2.630 10 0 CFAEMO C[C@@H]1CC[N@H+]([C@@H](CN)c2ccc(OC(F)F)cc2)C1 ZINC000040717480 174384793 /nfs/dbraw/zinc/38/47/93/174384793.db2.gz CFRPTEQXONGXJY-MFKMUULPSA-N 1 1 270.323 2.630 10 0 CFAEMO C[C@@H]1CC[N@@H+]([C@@H](CN)c2ccc(OC(F)(F)F)cc2)C1 ZINC000040717597 174384965 /nfs/dbraw/zinc/38/49/65/174384965.db2.gz CCFICXWUNMBJIP-MFKMUULPSA-N 1 1 288.313 2.927 10 0 CFAEMO C[C@@H]1CC[N@H+]([C@@H](CN)c2ccc(OC(F)(F)F)cc2)C1 ZINC000040717597 174384967 /nfs/dbraw/zinc/38/49/67/174384967.db2.gz CCFICXWUNMBJIP-MFKMUULPSA-N 1 1 288.313 2.927 10 0 CFAEMO CCN(Cc1ccc2c(c1)CCO2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747413 174392815 /nfs/dbraw/zinc/39/28/15/174392815.db2.gz SWVNBHVDSSFYKF-SJPCQFCGSA-N 1 1 286.419 2.726 10 0 CFAEMO Oc1cccc2c1CC[C@H]2NCC[NH+]1CCCCCC1 ZINC000040767780 174398017 /nfs/dbraw/zinc/39/80/17/174398017.db2.gz ZMAROKIMMPELHG-MRXNPFEDSA-N 1 1 274.408 2.845 10 0 CFAEMO Oc1cccc2c1CC[C@@H]2NCC[NH+]1CCCCCC1 ZINC000040767778 174398242 /nfs/dbraw/zinc/39/82/42/174398242.db2.gz ZMAROKIMMPELHG-INIZCTEOSA-N 1 1 274.408 2.845 10 0 CFAEMO CC[C@@H](C(=O)c1ccccc1)N1CCC(C[NH+](C)C)CC1 ZINC000042395351 174708781 /nfs/dbraw/zinc/70/87/81/174708781.db2.gz RRWCGVSSFKBAKZ-KRWDZBQOSA-N 1 1 288.435 2.922 10 0 CFAEMO CC[N@H+]([C@H](C)COC)[C@@H](CN)c1cccc(C)c1C ZINC000043315054 175004656 /nfs/dbraw/zinc/00/46/56/175004656.db2.gz VLPSZFQXXQNKGH-CJNGLKHVSA-N 1 1 264.413 2.660 10 0 CFAEMO CC[N@@H+]([C@H](C)COC)[C@@H](CN)c1cccc(C)c1C ZINC000043315054 175004657 /nfs/dbraw/zinc/00/46/57/175004657.db2.gz VLPSZFQXXQNKGH-CJNGLKHVSA-N 1 1 264.413 2.660 10 0 CFAEMO C[C@@H](N)[C@@H](c1cccnc1)[N@H+](C)C1CCC(C)CC1 ZINC000043347576 175017844 /nfs/dbraw/zinc/01/78/44/175017844.db2.gz HYIDJCIUYMKROD-FYAIKVRKSA-N 1 1 261.413 2.980 10 0 CFAEMO C[C@@H](N)[C@@H](c1cccnc1)[N@@H+](C)C1CCC(C)CC1 ZINC000043347576 175017845 /nfs/dbraw/zinc/01/78/45/175017845.db2.gz HYIDJCIUYMKROD-FYAIKVRKSA-N 1 1 261.413 2.980 10 0 CFAEMO C[C@@H](N)[C@H](c1cccnc1)[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000043348470 175018883 /nfs/dbraw/zinc/01/88/83/175018883.db2.gz SEIQEFUBPXZOEX-SJXGUFTOSA-N 1 1 261.413 2.980 10 0 CFAEMO C[C@@H]([NH3+])[C@H](c1cccnc1)N(C)[C@@H]1CCCC[C@@H]1C ZINC000043348470 175018884 /nfs/dbraw/zinc/01/88/84/175018884.db2.gz SEIQEFUBPXZOEX-SJXGUFTOSA-N 1 1 261.413 2.980 10 0 CFAEMO CC[C@@H](N)[C@@H](c1cccnc1)[N@H+](CC1CC1)C(C)C ZINC000043348424 175018956 /nfs/dbraw/zinc/01/89/56/175018956.db2.gz SCWXWRSLDQYRHV-HZPDHXFCSA-N 1 1 261.413 2.980 10 0 CFAEMO CC[C@@H](N)[C@@H](c1cccnc1)[N@@H+](CC1CC1)C(C)C ZINC000043348424 175018958 /nfs/dbraw/zinc/01/89/58/175018958.db2.gz SCWXWRSLDQYRHV-HZPDHXFCSA-N 1 1 261.413 2.980 10 0 CFAEMO CC[C@H](N)[C@@H](c1ccncc1)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043354735 175022457 /nfs/dbraw/zinc/02/24/57/175022457.db2.gz MGMAGPSDFCVZCK-RRQGHBQHSA-N 1 1 291.439 2.607 10 0 CFAEMO CC[C@H](N)[C@@H](c1ccncc1)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043354735 175022458 /nfs/dbraw/zinc/02/24/58/175022458.db2.gz MGMAGPSDFCVZCK-RRQGHBQHSA-N 1 1 291.439 2.607 10 0 CFAEMO CC[C@H](N)[C@H](c1ccncc1)[N@H+](CC(C)C)C1CC1 ZINC000043354659 175022767 /nfs/dbraw/zinc/02/27/67/175022767.db2.gz FZFIPUVATVGYLV-HOTGVXAUSA-N 1 1 261.413 2.980 10 0 CFAEMO CC[C@H](N)[C@H](c1ccncc1)[N@@H+](CC(C)C)C1CC1 ZINC000043354659 175022769 /nfs/dbraw/zinc/02/27/69/175022769.db2.gz FZFIPUVATVGYLV-HOTGVXAUSA-N 1 1 261.413 2.980 10 0 CFAEMO CC[C@@H](N)[C@@H](c1ccc(C)o1)[N@@H+]1CCCC[C@@H]1CCO ZINC000043363839 175024542 /nfs/dbraw/zinc/02/45/42/175024542.db2.gz PJQYBULPDAETHE-FMKPAKJESA-N 1 1 280.412 2.603 10 0 CFAEMO CC[C@@H](N)[C@@H](c1ccc(C)o1)[N@H+]1CCCC[C@@H]1CCO ZINC000043363839 175024544 /nfs/dbraw/zinc/02/45/44/175024544.db2.gz PJQYBULPDAETHE-FMKPAKJESA-N 1 1 280.412 2.603 10 0 CFAEMO CC[C@@H](N)[C@H](c1ccc(C)o1)[N@H+](CCO)C1CCCCC1 ZINC000043365197 175026589 /nfs/dbraw/zinc/02/65/89/175026589.db2.gz WNZGOIUKAVKUSL-NVXWUHKLSA-N 1 1 294.439 2.993 10 0 CFAEMO CC[C@@H](N)[C@H](c1ccc(C)o1)[N@@H+](CCO)C1CCCCC1 ZINC000043365197 175026591 /nfs/dbraw/zinc/02/65/91/175026591.db2.gz WNZGOIUKAVKUSL-NVXWUHKLSA-N 1 1 294.439 2.993 10 0 CFAEMO Cc1cc(C)cc([C@H](CN)[N@@H+](C)[C@@H]2CCSC2)c1 ZINC000043394067 175034839 /nfs/dbraw/zinc/03/48/39/175034839.db2.gz SEOLWJUJLLLPEU-CABCVRRESA-N 1 1 264.438 2.741 10 0 CFAEMO Cc1cc(C)cc([C@H](CN)[N@H+](C)[C@@H]2CCSC2)c1 ZINC000043394067 175034840 /nfs/dbraw/zinc/03/48/40/175034840.db2.gz SEOLWJUJLLLPEU-CABCVRRESA-N 1 1 264.438 2.741 10 0 CFAEMO C[C@H](C(N)=S)[N@@H+](C)Cc1cc(Br)cs1 ZINC000043514482 175061541 /nfs/dbraw/zinc/06/15/41/175061541.db2.gz TWKSSGPGAKSCAB-ZCFIWIBFSA-N 1 1 293.255 2.617 10 0 CFAEMO C[C@H](C[C@H](CN)[N@@H+]1CCCSCC1)c1ccccc1 ZINC000043534899 175062956 /nfs/dbraw/zinc/06/29/56/175062956.db2.gz WDBFETWMCGJHDA-GDBMZVCRSA-N 1 1 278.465 2.946 10 0 CFAEMO C[C@H](C[C@H](CN)[N@H+]1CCCSCC1)c1ccccc1 ZINC000043534899 175062958 /nfs/dbraw/zinc/06/29/58/175062958.db2.gz WDBFETWMCGJHDA-GDBMZVCRSA-N 1 1 278.465 2.946 10 0 CFAEMO Nc1ccc(N[C@H]2C[NH+]3CCC2CC3)c(Br)c1 ZINC000043596628 175077021 /nfs/dbraw/zinc/07/70/21/175077021.db2.gz OVEXVCZNTALXBF-ZDUSSCGKSA-N 1 1 296.212 2.537 10 0 CFAEMO CC[NH2+][C@H](c1ccco1)c1c(OC)cccc1OC ZINC000043608144 175078685 /nfs/dbraw/zinc/07/86/85/175078685.db2.gz SEDMKVVLTYYJBY-OAHLLOKOSA-N 1 1 261.321 2.996 10 0 CFAEMO CCC[NH2+][C@@H](CCC)[C@@H](CC)N1CCN(CC)CC1 ZINC000043806233 175108143 /nfs/dbraw/zinc/10/81/43/175108143.db2.gz GFEFLCMVKAZMAP-JKSUJKDBSA-N 1 1 269.477 2.571 10 0 CFAEMO CCN[C@H](C[NH+]1CCCC1)c1ccccc1OCC ZINC000043807415 175108177 /nfs/dbraw/zinc/10/81/77/175108177.db2.gz XDWJKDCBHNPPFJ-OAHLLOKOSA-N 1 1 262.397 2.832 10 0 CFAEMO CN[C@H]1c2ccccc2CC[C@@H]1[NH+]1CCC(C)CC1 ZINC000043806543 175108257 /nfs/dbraw/zinc/10/82/57/175108257.db2.gz SXUBIDIDBZGCBS-IRXDYDNUSA-N 1 1 258.409 2.994 10 0 CFAEMO CC[NH2+][C@H](CN1CCN(CC)CC1)c1cc(C)ccc1C ZINC000043806059 175108371 /nfs/dbraw/zinc/10/83/71/175108371.db2.gz MPBYRJHUHWTODV-GOSISDBHSA-N 1 1 289.467 2.592 10 0 CFAEMO CCN[C@@H]1c2ccc(OC)cc2CC[C@H]1[NH+]1CCCC1 ZINC000043807498 175108384 /nfs/dbraw/zinc/10/83/84/175108384.db2.gz MEVFTQNVWJFBOV-IAGOWNOFSA-N 1 1 274.408 2.756 10 0 CFAEMO CCc1ccc([C@@H]([NH2+]C)[C@H](C)N2CCN(CC)CC2)cc1 ZINC000043805930 175108392 /nfs/dbraw/zinc/10/83/92/175108392.db2.gz PUVXEEFTMIYPMU-YJBOKZPZSA-N 1 1 289.467 2.536 10 0 CFAEMO CCN[C@@H](C[NH+](CC)CC)c1cc(OC)ccc1OC ZINC000043809288 175109549 /nfs/dbraw/zinc/10/95/49/175109549.db2.gz ZMNWHUCSGYIGPY-HNNXBMFYSA-N 1 1 280.412 2.696 10 0 CFAEMO CC[NH+](CC)[C@@H](C)[C@@H](NC)c1ccc(OC)cc1 ZINC000043809003 175109835 /nfs/dbraw/zinc/10/98/35/175109835.db2.gz XICVOPIKSGJCLK-SWLSCSKDSA-N 1 1 250.386 2.686 10 0 CFAEMO CCC[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)N1CCN(C)CC1 ZINC000043811025 175110227 /nfs/dbraw/zinc/11/02/27/175110227.db2.gz GUSXGEWZSFXLSW-AEFFLSMTSA-N 1 1 289.467 2.672 10 0 CFAEMO CC[NH2+][C@@H](CN1CCN(C)CC1)c1ccc(C(C)C)cc1 ZINC000043810857 175110339 /nfs/dbraw/zinc/11/03/39/175110339.db2.gz OYOVLZUOVHMLOJ-SFHVURJKSA-N 1 1 289.467 2.708 10 0 CFAEMO CCC[NH2+][C@@H]1CCC2(C[C@@H]1N1CCCCCC1)OCCO2 ZINC000043812303 175110781 /nfs/dbraw/zinc/11/07/81/175110781.db2.gz WRCTZFUIMRJMOP-CVEARBPZSA-N 1 1 296.455 2.526 10 0 CFAEMO CCN[C@H](C[N@H+](C)C(C)C)c1ccccc1OC ZINC000043813348 175110790 /nfs/dbraw/zinc/11/07/90/175110790.db2.gz JOFQKWGEBXEFDD-CQSZACIVSA-N 1 1 250.386 2.686 10 0 CFAEMO CCN[C@H](C[N@@H+](C)C(C)C)c1ccccc1OC ZINC000043813348 175110791 /nfs/dbraw/zinc/11/07/91/175110791.db2.gz JOFQKWGEBXEFDD-CQSZACIVSA-N 1 1 250.386 2.686 10 0 CFAEMO CN[C@H](C[NH+]1CCCCCC1)c1cc(OC)ccc1OC ZINC000043812052 175110906 /nfs/dbraw/zinc/11/09/06/175110906.db2.gz AIZMVHTZNABZPC-MRXNPFEDSA-N 1 1 292.423 2.840 10 0 CFAEMO CCC[NH2+][C@H]1CCC2(C[C@@H]1N1CCCCCC1)OCCO2 ZINC000043812304 175111085 /nfs/dbraw/zinc/11/10/85/175111085.db2.gz WRCTZFUIMRJMOP-HOTGVXAUSA-N 1 1 296.455 2.526 10 0 CFAEMO CCCC[N@H+](C)C[C@H](NC)c1cc(C)ccc1OC ZINC000043816797 175112586 /nfs/dbraw/zinc/11/25/86/175112586.db2.gz MBIKOUANFPZWCP-HNNXBMFYSA-N 1 1 264.413 2.996 10 0 CFAEMO CCCC[N@@H+](C)C[C@H](NC)c1cc(C)ccc1OC ZINC000043816797 175112587 /nfs/dbraw/zinc/11/25/87/175112587.db2.gz MBIKOUANFPZWCP-HNNXBMFYSA-N 1 1 264.413 2.996 10 0 CFAEMO CN[C@H](C[N@H+](C)C1CCCC1)c1cccc(OC)c1 ZINC000043883635 175115961 /nfs/dbraw/zinc/11/59/61/175115961.db2.gz YAETZHJLHQYYJA-MRXNPFEDSA-N 1 1 262.397 2.830 10 0 CFAEMO CN[C@H](C[N@@H+](C)C1CCCC1)c1cccc(OC)c1 ZINC000043883635 175115962 /nfs/dbraw/zinc/11/59/62/175115962.db2.gz YAETZHJLHQYYJA-MRXNPFEDSA-N 1 1 262.397 2.830 10 0 CFAEMO CCC[N@H+](C)C[C@H](NC)c1ccc(OCC)cc1 ZINC000043885895 175116407 /nfs/dbraw/zinc/11/64/07/175116407.db2.gz WAMBBKYWTFHBDZ-HNNXBMFYSA-N 1 1 250.386 2.688 10 0 CFAEMO CCC[N@@H+](C)C[C@H](NC)c1ccc(OCC)cc1 ZINC000043885895 175116409 /nfs/dbraw/zinc/11/64/09/175116409.db2.gz WAMBBKYWTFHBDZ-HNNXBMFYSA-N 1 1 250.386 2.688 10 0 CFAEMO CN[C@@H](C[N@@H+](C)CC(C)C)c1cc(OC)ccc1OC ZINC000043886574 175116476 /nfs/dbraw/zinc/11/64/76/175116476.db2.gz YTKBCFDWPKHATO-HNNXBMFYSA-N 1 1 280.412 2.552 10 0 CFAEMO C[NH2+][C@@H](CN(C)CC(C)C)c1cc(OC)ccc1OC ZINC000043886574 175116479 /nfs/dbraw/zinc/11/64/79/175116479.db2.gz YTKBCFDWPKHATO-HNNXBMFYSA-N 1 1 280.412 2.552 10 0 CFAEMO CCC[N@@H+](CC)C[C@@H](NC)c1ccc(OC)cc1OC ZINC000043884294 175116828 /nfs/dbraw/zinc/11/68/28/175116828.db2.gz LRPMRCHSQZLYNY-OAHLLOKOSA-N 1 1 280.412 2.696 10 0 CFAEMO CCCN(CC)C[C@@H]([NH2+]C)c1ccc(OC)cc1OC ZINC000043884294 175116830 /nfs/dbraw/zinc/11/68/30/175116830.db2.gz LRPMRCHSQZLYNY-OAHLLOKOSA-N 1 1 280.412 2.696 10 0 CFAEMO CCCN[C@@H]1c2ccccc2C[C@@H]1[N@H+](C)C1CCOCC1 ZINC000043898704 175121583 /nfs/dbraw/zinc/12/15/83/175121583.db2.gz QAIFFGQKJZPRCN-ZWKOTPCHSA-N 1 1 288.435 2.763 10 0 CFAEMO CCCN[C@@H]1c2ccccc2C[C@@H]1[N@@H+](C)C1CCOCC1 ZINC000043898704 175121584 /nfs/dbraw/zinc/12/15/84/175121584.db2.gz QAIFFGQKJZPRCN-ZWKOTPCHSA-N 1 1 288.435 2.763 10 0 CFAEMO CN[C@@H](C[N@H+](CCOC)CC(C)C)c1ccccc1OC ZINC000043970234 175130955 /nfs/dbraw/zinc/13/09/55/175130955.db2.gz YRGXWOODUZDHMU-INIZCTEOSA-N 1 1 294.439 2.560 10 0 CFAEMO CN[C@@H](C[N@@H+](CCOC)CC(C)C)c1ccccc1OC ZINC000043970234 175130956 /nfs/dbraw/zinc/13/09/56/175130956.db2.gz YRGXWOODUZDHMU-INIZCTEOSA-N 1 1 294.439 2.560 10 0 CFAEMO CN[C@H](C[N@H+](CCOC)CC(C)C)c1ccccc1OC ZINC000043970236 175131175 /nfs/dbraw/zinc/13/11/75/175131175.db2.gz YRGXWOODUZDHMU-MRXNPFEDSA-N 1 1 294.439 2.560 10 0 CFAEMO CN[C@H](C[N@@H+](CCOC)CC(C)C)c1ccccc1OC ZINC000043970236 175131176 /nfs/dbraw/zinc/13/11/76/175131176.db2.gz YRGXWOODUZDHMU-MRXNPFEDSA-N 1 1 294.439 2.560 10 0 CFAEMO CN[C@H]1c2ccccc2OC[C@H]1[N@H+](CC1CC1)C(C)C ZINC000043974453 175132862 /nfs/dbraw/zinc/13/28/62/175132862.db2.gz JYVMPRQTEXQNFV-WBVHZDCISA-N 1 1 274.408 2.829 10 0 CFAEMO CN[C@H]1c2ccccc2OC[C@H]1[N@@H+](CC1CC1)C(C)C ZINC000043974453 175132863 /nfs/dbraw/zinc/13/28/63/175132863.db2.gz JYVMPRQTEXQNFV-WBVHZDCISA-N 1 1 274.408 2.829 10 0 CFAEMO CCCc1ccc([C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000044117214 175142372 /nfs/dbraw/zinc/14/23/72/175142372.db2.gz YTSIKKFFENCMAB-VBQJREDUSA-N 1 1 277.408 2.782 10 0 CFAEMO CCC[N@@H+](C[C@H](O)c1ccc(OC)cc1OC)C(C)C ZINC000044127100 175144141 /nfs/dbraw/zinc/14/41/41/175144141.db2.gz BNONICMNMKVWKN-HNNXBMFYSA-N 1 1 281.396 2.858 10 0 CFAEMO C[C@@H]([C@H](O)c1ccccc1)[N@@H+](C)CCc1ccccn1 ZINC000044125594 175144253 /nfs/dbraw/zinc/14/42/53/175144253.db2.gz KONIOHWEGWLPLS-YOEHRIQHSA-N 1 1 270.376 2.678 10 0 CFAEMO CCC[N@@H+](C[C@@H](O)c1ccc2c(c1)OCO2)C(C)C ZINC000044127139 175144301 /nfs/dbraw/zinc/14/43/01/175144301.db2.gz KJGNSHDPMGPYJN-CYBMUJFWSA-N 1 1 265.353 2.569 10 0 CFAEMO CC[C@H]([C@H](O)c1ccccc1)N1CC[NH+](C(C)C)CC1 ZINC000044132785 175144930 /nfs/dbraw/zinc/14/49/30/175144930.db2.gz BYYBGUFNNOLUQH-IAGOWNOFSA-N 1 1 276.424 2.525 10 0 CFAEMO Cc1ccccc1[C@@H](O)C[N@H+](C)Cc1ccncc1 ZINC000044134174 175145316 /nfs/dbraw/zinc/14/53/16/175145316.db2.gz WZMWVKISRJWING-INIZCTEOSA-N 1 1 256.349 2.555 10 0 CFAEMO C[C@H]([C@H](O)c1ccccc1)[N@@H+](C)Cc1ccccn1 ZINC000044133402 175145649 /nfs/dbraw/zinc/14/56/49/175145649.db2.gz RMGTWGGCLVQWHP-CJNGLKHVSA-N 1 1 256.349 2.636 10 0 CFAEMO COc1ccc([C@H](C)O)cc1C[N@@H+](C)[C@@H](C)C1CC1 ZINC000044133376 175145698 /nfs/dbraw/zinc/14/56/98/175145698.db2.gz JWEVZDZMUFXBBD-RYUDHWBXSA-N 1 1 263.381 2.979 10 0 CFAEMO Cc1ccc([C@@H](O)[C@@H](C)[N@@H+](C)Cc2ccccn2)cc1 ZINC000044133550 175145715 /nfs/dbraw/zinc/14/57/15/175145715.db2.gz WBNCBFIXPKJZKU-PBHICJAKSA-N 1 1 270.376 2.944 10 0 CFAEMO O[C@@H]1CCCCC[C@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000044162299 175147296 /nfs/dbraw/zinc/14/72/96/175147296.db2.gz SLEIYQBAVQAUOF-IAGOWNOFSA-N 1 1 280.456 2.630 10 0 CFAEMO C[N@@H+](C[C@H](O)C12CC3CC(CC(C3)C1)C2)CC1CC1 ZINC000044161599 175147686 /nfs/dbraw/zinc/14/76/86/175147686.db2.gz DXLCLQGHLRUKIL-KLZNEWFBSA-N 1 1 263.425 2.906 10 0 CFAEMO Cc1ccc([C@@H](O)C[N@H+](CCN(C)C)CC(C)C)cc1 ZINC000044164385 175147785 /nfs/dbraw/zinc/14/77/85/175147785.db2.gz MCZSMSHKNKNTQG-KRWDZBQOSA-N 1 1 278.440 2.548 10 0 CFAEMO Cc1ccc([C@@H](O)CN(CC[NH+](C)C)CC(C)C)cc1 ZINC000044164385 175147787 /nfs/dbraw/zinc/14/77/87/175147787.db2.gz MCZSMSHKNKNTQG-KRWDZBQOSA-N 1 1 278.440 2.548 10 0 CFAEMO COCC[N@@H+](CC(C)C)C[C@@H](O)c1ccc(C)cc1 ZINC000044165728 175147966 /nfs/dbraw/zinc/14/79/66/175147966.db2.gz LZSJTXSSOUWOBW-MRXNPFEDSA-N 1 1 265.397 2.633 10 0 CFAEMO CCOc1ccc([C@@H](C)O)cc1C[N@@H+](CC)[C@@H](C)COC ZINC000044165274 175147995 /nfs/dbraw/zinc/14/79/95/175147995.db2.gz MYKLQDGTXGRZHQ-UONOGXRCSA-N 1 1 295.423 2.995 10 0 CFAEMO CCOc1ccc([C@@H](O)C[N@@H+](CC)C[C@@H]2CCCO2)cc1 ZINC000044166293 175148398 /nfs/dbraw/zinc/14/83/98/175148398.db2.gz VQFHZAZBYUPIAS-IRXDYDNUSA-N 1 1 293.407 2.620 10 0 CFAEMO C[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCCc2ccccc2[C@@H]1O ZINC000044171207 175148526 /nfs/dbraw/zinc/14/85/26/175148526.db2.gz MVUUDPWZSVUKDJ-UAGQMJEPSA-N 1 1 275.392 2.536 10 0 CFAEMO CCOc1ccccc1[C@H](O)C[N@@H+](CCOC)CC(C)C ZINC000044166082 175148543 /nfs/dbraw/zinc/14/85/43/175148543.db2.gz JTHLNENJFHWVDP-MRXNPFEDSA-N 1 1 295.423 2.723 10 0 CFAEMO COCC[N@@H+](C[C@H](O)c1ccccc1C)[C@@H](C)C1CC1 ZINC000044173542 175149101 /nfs/dbraw/zinc/14/91/01/175149101.db2.gz LXJHTYGDEKBDQZ-YOEHRIQHSA-N 1 1 277.408 2.775 10 0 CFAEMO CCOc1ccc([C@@H](O)C[N@H+]2C[C@@H](C)OC[C@@H]2CC)cc1 ZINC000044175658 175149940 /nfs/dbraw/zinc/14/99/40/175149940.db2.gz YLJSMGJBPJSOIK-KMFMINBZSA-N 1 1 293.407 2.618 10 0 CFAEMO CCCO[C@H]1CCC[N@H+]([C@@H]2CCCCCC[C@@H]2O)C1 ZINC000044179578 175150455 /nfs/dbraw/zinc/15/04/55/175150455.db2.gz AXGVSRVHGYYWAP-XHSDSOJGSA-N 1 1 269.429 2.961 10 0 CFAEMO CCC(CC)[N@@H+](CCOC)C[C@@H](O)c1ccc(OC)cc1 ZINC000044177922 175150876 /nfs/dbraw/zinc/15/08/76/175150876.db2.gz QCVINXGUUTWDLO-QGZVFWFLSA-N 1 1 295.423 2.866 10 0 CFAEMO CC(C)[C@H]([C@H](O)c1ccccc1)[N@H+]1CCOCC1(C)C ZINC000044178165 175150925 /nfs/dbraw/zinc/15/09/25/175150925.db2.gz GCZWZMOJUHWNBY-HZPDHXFCSA-N 1 1 277.408 2.855 10 0 CFAEMO CC1(C)COCC[N@H+]1C[C@@H](O)c1cccc2ccccc21 ZINC000044178149 175151168 /nfs/dbraw/zinc/15/11/68/175151168.db2.gz MXHZWSFJIDHXIK-QGZVFWFLSA-N 1 1 285.387 2.984 10 0 CFAEMO C[N@@H+](Cc1ccc(F)cc1)[C@H]1CCCCC[C@@H]1O ZINC000044180248 175151555 /nfs/dbraw/zinc/15/15/55/175151555.db2.gz FPFIURUSOQPBTR-GJZGRUSLSA-N 1 1 251.345 2.951 10 0 CFAEMO COc1cccc([C@@H](O)Cn2cc[nH+]c2C(C)C)c1 ZINC000044185104 175151954 /nfs/dbraw/zinc/15/19/54/175151954.db2.gz MQXLIKYYIGJFNW-AWEZNQCLSA-N 1 1 260.337 2.749 10 0 CFAEMO C[C@@H](C[NH+]1CCCCC1)n1c(N)nc2ccccc21 ZINC000044388141 175170010 /nfs/dbraw/zinc/17/00/10/175170010.db2.gz JMDJMIKMQAXAMN-LBPRGKRZSA-N 1 1 258.369 2.665 10 0 CFAEMO NC[C@@H]([NH3+])c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000044469297 175177505 /nfs/dbraw/zinc/17/75/05/175177505.db2.gz LYERWHWMFFHUDK-MRVPVSSYSA-N 1 1 272.192 2.683 10 0 CFAEMO CSCc1ccc(CNC[C@H]2CCC[N@@H+](C)C2)o1 ZINC000044533013 175195992 /nfs/dbraw/zinc/19/59/92/175195992.db2.gz SANCOMSCCURLRJ-GFCCVEGCSA-N 1 1 268.426 2.574 10 0 CFAEMO CC(C)c1ccc([C@H](O)C[NH2+]C[C@@H]2CCCN(C)C2)cc1 ZINC000044536503 175199116 /nfs/dbraw/zinc/19/91/16/175199116.db2.gz QSNQYEUHNKJOPL-MAUKXSAKSA-N 1 1 290.451 2.775 10 0 CFAEMO CC[C@H](c1ccc(OC)cc1)[N@@H+]1CCCC[C@@H]1CN ZINC000044540190 175201015 /nfs/dbraw/zinc/20/10/15/175201015.db2.gz RBQWBDMQDDBYRJ-GDBMZVCRSA-N 1 1 262.397 2.960 10 0 CFAEMO CC[C@H](c1ccc(OC)cc1)[N@H+]1CCCC[C@@H]1CN ZINC000044540190 175201017 /nfs/dbraw/zinc/20/10/17/175201017.db2.gz RBQWBDMQDDBYRJ-GDBMZVCRSA-N 1 1 262.397 2.960 10 0 CFAEMO COc1ccc(Cl)cc1CNC[C@H]1CCCC[N@@H+]1C ZINC000044560642 175204015 /nfs/dbraw/zinc/20/40/15/175204015.db2.gz TUOVEHNLNPLYQF-CQSZACIVSA-N 1 1 282.815 2.923 10 0 CFAEMO COc1ccc(Cl)cc1CNC[C@H]1CCCC[N@H+]1C ZINC000044560642 175204016 /nfs/dbraw/zinc/20/40/16/175204016.db2.gz TUOVEHNLNPLYQF-CQSZACIVSA-N 1 1 282.815 2.923 10 0 CFAEMO COc1ccc([C@@H](C)NC[C@H]2CCCC[N@@H+]2C)c(F)c1 ZINC000044561170 175204634 /nfs/dbraw/zinc/20/46/34/175204634.db2.gz ATKKILDBXHZAQR-CHWSQXEVSA-N 1 1 280.387 2.969 10 0 CFAEMO COc1ccc([C@@H](C)NC[C@H]2CCCC[N@H+]2C)c(F)c1 ZINC000044561170 175204635 /nfs/dbraw/zinc/20/46/35/175204635.db2.gz ATKKILDBXHZAQR-CHWSQXEVSA-N 1 1 280.387 2.969 10 0 CFAEMO C[N@@H+]1CCCC[C@H]1CNCc1ccc(F)c(F)c1 ZINC000044561948 175205589 /nfs/dbraw/zinc/20/55/89/175205589.db2.gz VDPWRTNVKPQXCT-LBPRGKRZSA-N 1 1 254.324 2.539 10 0 CFAEMO C[N@H+]1CCCC[C@H]1CNCc1ccc(F)c(F)c1 ZINC000044561948 175205591 /nfs/dbraw/zinc/20/55/91/175205591.db2.gz VDPWRTNVKPQXCT-LBPRGKRZSA-N 1 1 254.324 2.539 10 0 CFAEMO COc1ccc([C@@H](C)NC[C@@H]2CCCC[N@@H+]2C)c(OC)c1 ZINC000044561820 175205711 /nfs/dbraw/zinc/20/57/11/175205711.db2.gz DVXQTEPWGXPDGE-KGLIPLIRSA-N 1 1 292.423 2.839 10 0 CFAEMO COc1ccc([C@@H](C)NC[C@@H]2CCCC[N@H+]2C)c(OC)c1 ZINC000044561820 175205712 /nfs/dbraw/zinc/20/57/12/175205712.db2.gz DVXQTEPWGXPDGE-KGLIPLIRSA-N 1 1 292.423 2.839 10 0 CFAEMO C[N@H+]1CCCC[C@H]1CNc1nncc2ccccc21 ZINC000044563288 175206382 /nfs/dbraw/zinc/20/63/82/175206382.db2.gz ARNHTMPBCTYQFZ-ZDUSSCGKSA-N 1 1 256.353 2.526 10 0 CFAEMO CCC[NH2+]Cc1nc2ccc(Br)cc2[nH]1 ZINC000044623942 175220409 /nfs/dbraw/zinc/22/04/09/175220409.db2.gz MHGBXRDFVXHHGU-UHFFFAOYSA-N 1 1 268.158 2.825 10 0 CFAEMO CCOC[C@H](C)Nc1c(C(N)=S)c[nH+]c2ccccc21 ZINC000044727906 175239128 /nfs/dbraw/zinc/23/91/28/175239128.db2.gz NBKYTWYONWVKDB-JTQLQIEISA-N 1 1 289.404 2.706 10 0 CFAEMO CCC[N@@H+](CC(N)=S)Cc1cccc2cccnc21 ZINC000045093524 175307069 /nfs/dbraw/zinc/30/70/69/175307069.db2.gz LHVYRVXDEUAUTL-UHFFFAOYSA-N 1 1 273.405 2.733 10 0 CFAEMO CC(C)CCOCCN1CC[C@@H](C)[NH2+][C@H](C)CC1 ZINC000045109370 175309578 /nfs/dbraw/zinc/30/95/78/175309578.db2.gz TUIXWTONWQYMBC-HUUCEWRRSA-N 1 1 256.434 2.512 10 0 CFAEMO CC(C)[N@H+]1CC[C@H](CNc2ccc3ncccc3c2N)C1 ZINC000045118706 175311650 /nfs/dbraw/zinc/31/16/50/175311650.db2.gz RZQCUQWCPYVSBQ-CYBMUJFWSA-N 1 1 284.407 2.959 10 0 CFAEMO CC(C)[N@H+]1CC[C@@H](CNc2cc(N)cc(F)c2)C1 ZINC000045118712 175311677 /nfs/dbraw/zinc/31/16/77/175311677.db2.gz MKGZWYGIVMQAQL-NSHDSACASA-N 1 1 251.349 2.550 10 0 CFAEMO C[C@H](C(N)=S)[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000045147169 175317068 /nfs/dbraw/zinc/31/70/68/175317068.db2.gz VUZQATDIUFVFJH-MRVPVSSYSA-N 1 1 292.326 2.692 10 0 CFAEMO C[C@@H](C(N)=S)[N@H+](C)Cc1c(F)cccc1Cl ZINC000045147224 175317432 /nfs/dbraw/zinc/31/74/32/175317432.db2.gz JSDONNIIGMRNAF-ZETCQYMHSA-N 1 1 260.765 2.586 10 0 CFAEMO C[C@@H](C(N)=S)[N@@H+](C)Cc1c(F)cccc1Cl ZINC000045147224 175317433 /nfs/dbraw/zinc/31/74/33/175317433.db2.gz JSDONNIIGMRNAF-ZETCQYMHSA-N 1 1 260.765 2.586 10 0 CFAEMO CCCN1CCC([NH2+][C@@H](C)c2c(C)nn(C)c2C)CC1 ZINC000045168756 175319910 /nfs/dbraw/zinc/31/99/10/175319910.db2.gz OMBDUHGBCMSGNX-LBPRGKRZSA-N 1 1 278.444 2.562 10 0 CFAEMO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]C1CCN(C(C)C)CC1 ZINC000045168741 175319994 /nfs/dbraw/zinc/31/99/94/175319994.db2.gz NAAMGHYABMOBPG-GFCCVEGCSA-N 1 1 278.444 2.560 10 0 CFAEMO CCOC(=O)[C@](C)(CC[N@H+]1CCC[C@@H]1CC)NC(C)C ZINC000045221346 175329907 /nfs/dbraw/zinc/32/99/07/175329907.db2.gz SHDJAFANMGEIPD-HOCLYGCPSA-N 1 1 284.444 2.571 10 0 CFAEMO CCCC[N@@H+](CC)CC[C@](C)(NC1CC1)C(=O)OCC ZINC000045223435 175331433 /nfs/dbraw/zinc/33/14/33/175331433.db2.gz RELNCKSAJQPBKO-INIZCTEOSA-N 1 1 284.444 2.572 10 0 CFAEMO CCOC(=O)[C@@](C)(CC[N@H+]1CCCC[C@@H]1C)NC(C)C ZINC000045227121 175333419 /nfs/dbraw/zinc/33/34/19/175333419.db2.gz ATHANTJBYINEMI-GOEBONIOSA-N 1 1 284.444 2.571 10 0 CFAEMO CCCN[C@](C)(CC[N@@H+](CCC)C(C)C)C(=O)OCC ZINC000045266950 175338837 /nfs/dbraw/zinc/33/88/37/175338837.db2.gz ORMVSUWQEDBJIP-MRXNPFEDSA-N 1 1 286.460 2.818 10 0 CFAEMO CCOC(=O)[C@@](N)(C[N@@H+](CC)[C@@H](C)CC)c1ccccc1 ZINC000045266340 175339078 /nfs/dbraw/zinc/33/90/78/175339078.db2.gz LJXJSYYVQGNPLT-WMLDXEAASA-N 1 1 292.423 2.524 10 0 CFAEMO CCCN[C@@](C)(CC[N@@H+](C)C1CCCCCC1)C(=O)OC ZINC000045272003 175342456 /nfs/dbraw/zinc/34/24/56/175342456.db2.gz OZLKGHCPRQJMPZ-KRWDZBQOSA-N 1 1 298.471 2.962 10 0 CFAEMO CCOC(=O)[C@@](C)(C[N@@H+](C)C1CCCCCC1)NC(C)C ZINC000045271930 175342553 /nfs/dbraw/zinc/34/25/53/175342553.db2.gz LAHWKHDMJQCUQY-QGZVFWFLSA-N 1 1 298.471 2.961 10 0 CFAEMO CCOC(=O)[C@](C)(CC[N@@H+](C)C1CCCCCC1)NC ZINC000045271986 175342681 /nfs/dbraw/zinc/34/26/81/175342681.db2.gz HHWDPOFLSDAXRR-INIZCTEOSA-N 1 1 284.444 2.572 10 0 CFAEMO CCCN[C@](C)(C[N@H+]1CCC[C@@H]1C1CCCC1)C(=O)OC ZINC000045277376 175347323 /nfs/dbraw/zinc/34/73/23/175347323.db2.gz UFZOSIZTHGSYSD-NVXWUHKLSA-N 1 1 296.455 2.572 10 0 CFAEMO CCCN[C@](C)(C[N@@H+](C)[C@@H](C)CC(C)C)C(=O)OCC ZINC000045279962 175350136 /nfs/dbraw/zinc/35/01/36/175350136.db2.gz FHJTUNZHSDLSEB-GOEBONIOSA-N 1 1 286.460 2.674 10 0 CFAEMO CC(C)C[N@@H+](CC[C@@](C)([NH2+]C(C)C)C(=O)[O-])C(C)C ZINC000045280739 175351451 /nfs/dbraw/zinc/35/14/51/175351451.db2.gz IIBWGFXDBVGJSN-OAHLLOKOSA-N 1 1 272.433 2.584 10 0 CFAEMO CCCC[N@@H+](C[C@@](C)(NC1CC1)C(=O)OC)[C@@H](C)CC ZINC000045282581 175352388 /nfs/dbraw/zinc/35/23/88/175352388.db2.gz AFGOPGVSARBIQV-XJKSGUPXSA-N 1 1 284.444 2.571 10 0 CFAEMO CCCC[N@@H+](CC[C@@](C)([NH2+]C1CC1)C(=O)[O-])[C@@H](C)CC ZINC000045282616 175352706 /nfs/dbraw/zinc/35/27/06/175352706.db2.gz CMIPTDQEPOFVLV-XJKSGUPXSA-N 1 1 284.444 2.872 10 0 CFAEMO CCCC[N@@H+](C)CCCC[C@](C)([NH2+]CCC)C(=O)[O-] ZINC000045368174 175363173 /nfs/dbraw/zinc/36/31/73/175363173.db2.gz KKCLGYSUFNVPLN-HNNXBMFYSA-N 1 1 272.433 2.732 10 0 CFAEMO CC[N@@H+](CCCC[C@@](C)([NH3+])C(=O)[O-])C1CCCCC1 ZINC000045372033 175364375 /nfs/dbraw/zinc/36/43/75/175364375.db2.gz ODWQJEQZDQMHER-OAHLLOKOSA-N 1 1 270.417 2.613 10 0 CFAEMO CCCN[C@@](C)(CCCC[N@H+]1CCCC[C@@H]1C)C(=O)OC ZINC000045376086 175366616 /nfs/dbraw/zinc/36/66/16/175366616.db2.gz JZPNMMOCJBTZNF-RDJZCZTQSA-N 1 1 298.471 2.962 10 0 CFAEMO CCC[NH2+][C@@](C)(CCC[N@@H+](C)C1CCCCC1)C(=O)[O-] ZINC000045379110 175368255 /nfs/dbraw/zinc/36/82/55/175368255.db2.gz PLNINXBJZDNUNY-INIZCTEOSA-N 1 1 284.444 2.874 10 0 CFAEMO CCOC(=O)[C@](C)(N)CCCC[N@H+](C)C1CCCCC1 ZINC000045379063 175368268 /nfs/dbraw/zinc/36/82/68/175368268.db2.gz GXIVMVRLRRSILG-MRXNPFEDSA-N 1 1 284.444 2.702 10 0 CFAEMO CCOC(=O)[C@](C)(N)CCCC[N@@H+](C)C1CCCCC1 ZINC000045379063 175368269 /nfs/dbraw/zinc/36/82/69/175368269.db2.gz GXIVMVRLRRSILG-MRXNPFEDSA-N 1 1 284.444 2.702 10 0 CFAEMO CCC[NH2+][C@@](C)(CCCC[N@@H+](CC)CC(C)C)C(=O)[O-] ZINC000045381644 175369714 /nfs/dbraw/zinc/36/97/14/175369714.db2.gz GSNMFNUAYHFHMG-INIZCTEOSA-N 1 1 286.460 2.978 10 0 CFAEMO CCOC(=O)[C@](C)(CCCC[N@@H+](CC)C(C)C)NC1CC1 ZINC000045383735 175371197 /nfs/dbraw/zinc/37/11/97/175371197.db2.gz ZKBYPVNEJPLVCT-KRWDZBQOSA-N 1 1 298.471 2.961 10 0 CFAEMO CCOC(=O)[C@@](C)(CCCC[N@@H+](C)C1CC1)NC(C)C ZINC000045383232 175371312 /nfs/dbraw/zinc/37/13/12/175371312.db2.gz JLZVXWQMEJKTBX-MRXNPFEDSA-N 1 1 284.444 2.571 10 0 CFAEMO CCC[NH2+][C@](C)(CCCC[N@@H+](CC)C(C)C)C(=O)[O-] ZINC000045383604 175371365 /nfs/dbraw/zinc/37/13/65/175371365.db2.gz NNHSTFQPHSAQEQ-OAHLLOKOSA-N 1 1 272.433 2.730 10 0 CFAEMO CCC[NH2+][C@@](C)(CCCC[N@@H+](C)C1CCCC1)C(=O)[O-] ZINC000045384614 175372388 /nfs/dbraw/zinc/37/23/88/175372388.db2.gz CQBAMGWYVOZRIG-INIZCTEOSA-N 1 1 284.444 2.874 10 0 CFAEMO CCCN[C@](C)(CCC[N@@H+](C)C1CCCC1)C(=O)OC ZINC000045384890 175372431 /nfs/dbraw/zinc/37/24/31/175372431.db2.gz LPVUHKWKDSWYDA-MRXNPFEDSA-N 1 1 284.444 2.572 10 0 CFAEMO CCCN[C@](C)(CCC[N@@H+](CC)CCC)C(=O)OCC ZINC000045387110 175373184 /nfs/dbraw/zinc/37/31/84/175373184.db2.gz CHJQMFJIKCDCDQ-MRXNPFEDSA-N 1 1 286.460 2.820 10 0 CFAEMO CCCCC[N@@H+](C)CCC[C@@](C)(NC1CC1)C(=O)OCC ZINC000045388215 175373548 /nfs/dbraw/zinc/37/35/48/175373548.db2.gz FUUODIWKBPDVPR-QGZVFWFLSA-N 1 1 298.471 2.962 10 0 CFAEMO CCCCC[N@@H+](C)CCC[C@](C)(NC1CC1)C(=O)OCC ZINC000045388213 175374158 /nfs/dbraw/zinc/37/41/58/175374158.db2.gz FUUODIWKBPDVPR-KRWDZBQOSA-N 1 1 298.471 2.962 10 0 CFAEMO CC[N@@H+](CCC[C@](C)(NC(C)C)C(=O)OC)C1CCCC1 ZINC000045390652 175374422 /nfs/dbraw/zinc/37/44/22/175374422.db2.gz SIYDMROAFIEZKV-KRWDZBQOSA-N 1 1 298.471 2.961 10 0 CFAEMO CCOC(=O)[C@@](C)(CCCC[N@@H+](CC)C1CCCC1)NC ZINC000045390479 175374711 /nfs/dbraw/zinc/37/47/11/175374711.db2.gz OVYAZAKOIIAQCD-QGZVFWFLSA-N 1 1 298.471 2.962 10 0 CFAEMO CCC(CC)[N@@H+](C)CCC[C@](C)(NC1CC1)C(=O)OC ZINC000045391666 175375136 /nfs/dbraw/zinc/37/51/36/175375136.db2.gz PQJOEWSIXSUYMC-INIZCTEOSA-N 1 1 284.444 2.571 10 0 CFAEMO C[N@H+](Cc1cccc(Cl)c1)C[C@@H](O)COC(C)(C)C ZINC000046342749 175395622 /nfs/dbraw/zinc/39/56/22/175395622.db2.gz HEFLESYHUNLMLI-CQSZACIVSA-N 1 1 285.815 2.948 10 0 CFAEMO COc1ccc(C[C@@](C)(CN)[N@@H+](C)CC(C)C)cc1 ZINC000071169106 176050059 /nfs/dbraw/zinc/05/00/59/176050059.db2.gz QLAMQZLDEWHOLZ-INIZCTEOSA-N 1 1 264.413 2.543 10 0 CFAEMO COc1ccc(C[C@@](C)(C[NH3+])N(C)CC(C)C)cc1 ZINC000071169106 176050060 /nfs/dbraw/zinc/05/00/60/176050060.db2.gz QLAMQZLDEWHOLZ-INIZCTEOSA-N 1 1 264.413 2.543 10 0 CFAEMO CC1(C)CCC[N@H+]1Cc1ccc(F)cc1C(N)=S ZINC000071266302 176100163 /nfs/dbraw/zinc/10/01/63/176100163.db2.gz FYBIZRAWJRUBFV-UHFFFAOYSA-N 1 1 266.385 2.834 10 0 CFAEMO CC[C@@H]1C[N@H+](Cc2cccs2)[C@H](C(C)C)CN1 ZINC000071343737 176131232 /nfs/dbraw/zinc/13/12/32/176131232.db2.gz UZCOZHFROASNMY-OCCSQVGLSA-N 1 1 252.427 2.957 10 0 CFAEMO CC[C@@H]1C[N@@H+](Cc2cccs2)[C@H](C(C)C)CN1 ZINC000071343737 176131234 /nfs/dbraw/zinc/13/12/34/176131234.db2.gz UZCOZHFROASNMY-OCCSQVGLSA-N 1 1 252.427 2.957 10 0 CFAEMO CC(C)COc1ccc([C@H]([NH3+])CN2CCCC2)cc1 ZINC000071594611 176217513 /nfs/dbraw/zinc/21/75/13/176217513.db2.gz ASEWYPXFOHHTRP-MRXNPFEDSA-N 1 1 262.397 2.817 10 0 CFAEMO COc1cc2c(cc1OC)C1(CC1)C[NH2+][C@@H]2c1ccccn1 ZINC000071651180 176241226 /nfs/dbraw/zinc/24/12/26/176241226.db2.gz CVOKNCLKBMGWML-KRWDZBQOSA-N 1 1 296.370 2.823 10 0 CFAEMO COc1ccc([C@H](CN)[N@H+](C)CC2CC2)cc1Cl ZINC000076401150 177017176 /nfs/dbraw/zinc/01/71/76/177017176.db2.gz GYLJXMRYYKIQLI-ZDUSSCGKSA-N 1 1 268.788 2.690 10 0 CFAEMO COc1ccc([C@H](CN)[N@@H+](C)CC2CC2)cc1Cl ZINC000076401150 177017178 /nfs/dbraw/zinc/01/71/78/177017178.db2.gz GYLJXMRYYKIQLI-ZDUSSCGKSA-N 1 1 268.788 2.690 10 0 CFAEMO COc1ccc([C@@H](CN)[N@H+](C)CC2CC2)cc1Cl ZINC000076401155 177017441 /nfs/dbraw/zinc/01/74/41/177017441.db2.gz GYLJXMRYYKIQLI-CYBMUJFWSA-N 1 1 268.788 2.690 10 0 CFAEMO COc1ccc([C@@H](CN)[N@@H+](C)CC2CC2)cc1Cl ZINC000076401155 177017443 /nfs/dbraw/zinc/01/74/43/177017443.db2.gz GYLJXMRYYKIQLI-CYBMUJFWSA-N 1 1 268.788 2.690 10 0 CFAEMO CCCCOC[C@H](O)C[N@@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000193248667 262219043 /nfs/dbraw/zinc/21/90/43/262219043.db2.gz LQXSSQVFYCEGLC-RRFJBIMHSA-N 1 1 257.418 2.675 10 0 CFAEMO CCCc1ccc(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1 ZINC000195046326 270249728 /nfs/dbraw/zinc/24/97/28/270249728.db2.gz DICJCXWMEXGLEY-QGZVFWFLSA-N 1 1 286.419 2.949 10 0 CFAEMO c1ccc(SCCN2CC[N@H+]3CCCC[C@@H]3C2)cc1 ZINC000093952688 265204512 /nfs/dbraw/zinc/20/45/12/265204512.db2.gz FRFFSNBXLXYAOL-OAHLLOKOSA-N 1 1 276.449 2.949 10 0 CFAEMO c1ccc(SCC[N@@H+]2CCN3CCCC[C@@H]3C2)cc1 ZINC000093952688 265204513 /nfs/dbraw/zinc/20/45/13/265204513.db2.gz FRFFSNBXLXYAOL-OAHLLOKOSA-N 1 1 276.449 2.949 10 0 CFAEMO c1ccc(SCC[N@H+]2CCN3CCCC[C@@H]3C2)cc1 ZINC000093952688 265204514 /nfs/dbraw/zinc/20/45/14/265204514.db2.gz FRFFSNBXLXYAOL-OAHLLOKOSA-N 1 1 276.449 2.949 10 0 CFAEMO C[C@H](NC(=O)NCC[N@H+]1CCC[C@@H](C)C1)c1cccs1 ZINC000043290162 270228524 /nfs/dbraw/zinc/22/85/24/270228524.db2.gz KKSNCUHPDZGNSC-OLZOCXBDSA-N 1 1 295.452 2.840 10 0 CFAEMO CCCCOC[C@@H](O)C[N@H+]1CCC[C@H](CC)CC1 ZINC000193250999 270236949 /nfs/dbraw/zinc/23/69/49/270236949.db2.gz KOYZBLMXNGKKNL-GJZGRUSLSA-N 1 1 257.418 2.676 10 0 CFAEMO CCN(C(=O)N[C@H]1CCC[N@@H+](CC)C1)[C@H](C)C(C)C ZINC000250242608 270273172 /nfs/dbraw/zinc/27/31/72/270273172.db2.gz TWMLHICEBWTMPG-KGLIPLIRSA-N 1 1 269.433 2.547 10 0 CFAEMO CCCCOc1ccc(CNC[C@H]2CC[NH2+]C2)cc1 ZINC000398325185 270322075 /nfs/dbraw/zinc/32/20/75/270322075.db2.gz FDRKKRJKRGTDRC-HNNXBMFYSA-N 1 1 262.397 2.565 10 0 CFAEMO C[C@@H]1C[C@H](CO)C[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000398607880 270323487 /nfs/dbraw/zinc/32/34/87/270323487.db2.gz DUKYAWYRQPMFQK-AGIUHOORSA-N 1 1 261.356 2.762 10 0 CFAEMO Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398812670 270324255 /nfs/dbraw/zinc/32/42/55/270324255.db2.gz WIQTYKWGAJRJEZ-NOLJZWGESA-N 1 1 263.356 2.727 10 0 CFAEMO C[C@H]1CC[C@@H](O)C[N@H+]1Cc1cccc(Br)c1 ZINC000399185216 270326952 /nfs/dbraw/zinc/32/69/52/270326952.db2.gz FUSPHGLLLHIPAR-GXFFZTMASA-N 1 1 284.197 2.794 10 0 CFAEMO C[C@H]1CC[C@@H](O)C[N@H+]1Cc1ccccc1OC(F)F ZINC000399237790 270327781 /nfs/dbraw/zinc/32/77/81/270327781.db2.gz LNTNIWMNBZHXRG-CMPLNLGQSA-N 1 1 271.307 2.633 10 0 CFAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc2ccccc2n1 ZINC000113229338 274374019 /nfs/dbraw/zinc/37/40/19/274374019.db2.gz QKLWTCCWEDIQOR-UKRRQHHQSA-N 1 1 295.386 2.544 10 0 CFAEMO C[C@H]1NC(=O)CC[C@H]1Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000281657027 274629934 /nfs/dbraw/zinc/62/99/34/274629934.db2.gz OENXBTKXNWKCIX-BXKDBHETSA-N 1 1 289.766 2.967 10 0 CFAEMO [NH3+]Cc1nc(CN2CCC[C@H]2c2ccc(Cl)cc2)no1 ZINC000262257813 274953754 /nfs/dbraw/zinc/95/37/54/274953754.db2.gz QWBQYLNSTDASJC-LBPRGKRZSA-N 1 1 292.770 2.519 10 0 CFAEMO Nc1c(N)c(-c2ccccc2)[nH+]nc1-c1ccccc1 ZINC000000344131 274964185 /nfs/dbraw/zinc/96/41/85/274964185.db2.gz CMUVLWVIYAUYMD-UHFFFAOYSA-N 1 1 262.316 2.975 10 0 CFAEMO c1ccc2nc(N3CC[N@@H+]4CCCC[C@@H]4C3)ccc2c1 ZINC000013607438 275071884 /nfs/dbraw/zinc/07/18/84/275071884.db2.gz XSEBHCNVSJIJOI-OAHLLOKOSA-N 1 1 267.376 2.909 10 0 CFAEMO CC1(C)C[C@H](O)CC[N@@H+](C[C@H]2Cc3ccccc32)C1 ZINC000296191731 276149385 /nfs/dbraw/zinc/14/93/85/276149385.db2.gz UWDXNVHERCGMCE-HUUCEWRRSA-N 1 1 259.393 2.809 10 0 CFAEMO CCOc1ccccc1[C@H](C)N[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000358400154 276383761 /nfs/dbraw/zinc/38/37/61/276383761.db2.gz LHOCOGUASMWYOI-KCQAQPDRSA-N 1 1 262.397 2.686 10 0 CFAEMO CCOc1ccccc1[C@H](C)N[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000358400154 276383763 /nfs/dbraw/zinc/38/37/63/276383763.db2.gz LHOCOGUASMWYOI-KCQAQPDRSA-N 1 1 262.397 2.686 10 0 CFAEMO COC(C)(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000230961115 277176298 /nfs/dbraw/zinc/17/62/98/277176298.db2.gz CYHSMNFRNRWPMC-ZNMIVQPWSA-N 1 1 269.429 2.817 10 0 CFAEMO COC1(CC[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@H]2O)CCC1 ZINC000313506072 277182792 /nfs/dbraw/zinc/18/27/92/277182792.db2.gz JPKWGXNPORLJPV-BZUAXINKSA-N 1 1 281.440 2.961 10 0 CFAEMO CC(C)(C)OC[C@H](O)C[N@H+]1CCOC2(C1)CCCCCC2 ZINC000119457132 277216507 /nfs/dbraw/zinc/21/65/07/277216507.db2.gz MVRDHSQWGOJKLM-OAHLLOKOSA-N 1 1 299.455 2.588 10 0 CFAEMO CC(C)CCOCC[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000121024831 277356934 /nfs/dbraw/zinc/35/69/34/277356934.db2.gz WEUNGPJFHLTGGS-HNNXBMFYSA-N 1 1 265.401 2.999 10 0 CFAEMO COC(=O)[C@H]1CCC[N@H+]1C[C@@H](C)C1CCCCC1 ZINC000310915313 277389615 /nfs/dbraw/zinc/38/96/15/277389615.db2.gz ZBTQFRTXLJJOKP-TZMCWYRMSA-N 1 1 253.386 2.840 10 0 CFAEMO CC(C)C[C@@](O)(CC[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000027346895 277469345 /nfs/dbraw/zinc/46/93/45/277469345.db2.gz OJKKVYRAFDASBC-KRWDZBQOSA-N 1 1 295.398 2.782 10 0 CFAEMO CCN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@H]1c1ccco1 ZINC000246931256 279077686 /nfs/dbraw/zinc/07/76/86/279077686.db2.gz IJAQSHUUDABULK-STQMWFEESA-N 1 1 264.369 2.673 10 0 CFAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000245413815 279298890 /nfs/dbraw/zinc/29/88/90/279298890.db2.gz CGBBAPNSQWKUHB-RBSFLKMASA-N 1 1 281.444 2.691 10 0 CFAEMO CC(C)[C@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000173329115 280219206 /nfs/dbraw/zinc/21/92/06/280219206.db2.gz SPVOMNGWKQUUFR-ZNMIVQPWSA-N 1 1 281.444 2.688 10 0 CFAEMO CCCC[C@H](CC)CC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246926563 281000955 /nfs/dbraw/zinc/00/09/55/281000955.db2.gz ZDGNJXYPONZPKI-PMPSAXMXSA-N 1 1 298.471 2.506 10 0 CFAEMO CCc1cc(C)c(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2CC)o1 ZINC000246995424 281002955 /nfs/dbraw/zinc/00/29/55/281002955.db2.gz PKEPBWUZGNDUME-KGLIPLIRSA-N 1 1 290.407 2.849 10 0 CFAEMO CCn1c(C)nnc1C[N@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000247186826 281007202 /nfs/dbraw/zinc/00/72/02/281007202.db2.gz BOWSRQPVXHOKDL-XBFCOCLRSA-N 1 1 262.401 2.759 10 0 CFAEMO CC[C@@H]1CN([C@H](C)c2cccc(C)c2)CC[N@H+]1C[C@@H](C)O ZINC000247693675 281016066 /nfs/dbraw/zinc/01/60/66/281016066.db2.gz WHUOHHIYMNLNEH-JFIYKMOQSA-N 1 1 290.451 2.833 10 0 CFAEMO CC[C@@H]1C[N@@H+]([C@H](C)c2cccc(C)c2)CCN1C[C@@H](C)O ZINC000247693675 281016067 /nfs/dbraw/zinc/01/60/67/281016067.db2.gz WHUOHHIYMNLNEH-JFIYKMOQSA-N 1 1 290.451 2.833 10 0 CFAEMO CC[C@@H]1C[N@H+]([C@H](C)c2cccc(C)c2)CCN1C[C@@H](C)O ZINC000247693675 281016068 /nfs/dbraw/zinc/01/60/68/281016068.db2.gz WHUOHHIYMNLNEH-JFIYKMOQSA-N 1 1 290.451 2.833 10 0 CFAEMO COc1c(C[N@H+]2C[C@H](C)[C@@H]3CCCC[C@H]32)c(C)nn1C ZINC000248373548 281020218 /nfs/dbraw/zinc/02/02/18/281020218.db2.gz JRCXOOCCWKAROU-CORIIIEPSA-N 1 1 277.412 2.748 10 0 CFAEMO CC[N@H+]1CCC[C@H](NC(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)C1 ZINC000248405433 281020712 /nfs/dbraw/zinc/02/07/12/281020712.db2.gz APEMRHWAGCNOOE-VGWMRTNUSA-N 1 1 293.455 2.691 10 0 CFAEMO CC[C@@H]1C[N@@H+](C[C@H]2CCCC[C@@H]2C)CCN1CCOC ZINC000248505224 281024137 /nfs/dbraw/zinc/02/41/37/281024137.db2.gz WADUJEZOZIYOJH-GVDBMIGSSA-N 1 1 282.472 2.855 10 0 CFAEMO c1ccc(COCCCN2CC[N@H+]3CCCC[C@H]3C2)cc1 ZINC000248541527 281024960 /nfs/dbraw/zinc/02/49/60/281024960.db2.gz BQEUEYAVTMCZBX-SFHVURJKSA-N 1 1 288.435 2.763 10 0 CFAEMO c1ccc(COCCC[N@@H+]2CCN3CCCC[C@H]3C2)cc1 ZINC000248541527 281024963 /nfs/dbraw/zinc/02/49/63/281024963.db2.gz BQEUEYAVTMCZBX-SFHVURJKSA-N 1 1 288.435 2.763 10 0 CFAEMO c1ccc(COCCC[N@H+]2CCN3CCCC[C@H]3C2)cc1 ZINC000248541527 281024969 /nfs/dbraw/zinc/02/49/69/281024969.db2.gz BQEUEYAVTMCZBX-SFHVURJKSA-N 1 1 288.435 2.763 10 0 CFAEMO CC[C@@H]1C[N@@H+](C[C@@H]2C(C)=CCC[C@@H]2C)CCN1C[C@H](C)O ZINC000249126570 281049192 /nfs/dbraw/zinc/04/91/92/281049192.db2.gz UWQMFXVWNYSZST-WNRNVDISSA-N 1 1 294.483 2.756 10 0 CFAEMO CC(C)[C@@H](C)NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000249295400 281054973 /nfs/dbraw/zinc/05/49/73/281054973.db2.gz 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519776015 /nfs/dbraw/zinc/77/60/15/519776015.db2.gz KADMRAICYWEORG-ZBFHGGJFSA-N 1 1 291.439 2.580 10 0 CFAEMO CC(C)[C@H]1C[N@H+](CCCc2ccccc2)CCCN1 ZINC000062657632 519826669 /nfs/dbraw/zinc/82/66/69/519826669.db2.gz HGCUOCDRXQSEIL-QGZVFWFLSA-N 1 1 260.425 2.939 10 0 CFAEMO CC(C)[C@H]1C[N@@H+](CCCc2ccccc2)CCCN1 ZINC000062657632 519826670 /nfs/dbraw/zinc/82/66/70/519826670.db2.gz HGCUOCDRXQSEIL-QGZVFWFLSA-N 1 1 260.425 2.939 10 0 CFAEMO CCCC(=O)N1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000049706883 519868692 /nfs/dbraw/zinc/86/86/92/519868692.db2.gz LLVDCVUWRLUASL-UHFFFAOYSA-N 1 1 285.391 2.612 10 0 CFAEMO CCCC1CC[NH+](CC(=O)Nc2ccc(F)c(N)c2)CC1 ZINC000050892804 519900921 /nfs/dbraw/zinc/90/09/21/519900921.db2.gz JGCXLXLWUHHOIR-UHFFFAOYSA-N 1 1 293.386 2.859 10 0 CFAEMO CCOCC[N@H+]1CCC[C@@H](c2nc(CC)cs2)C1 ZINC000195442614 519912295 /nfs/dbraw/zinc/91/22/95/519912295.db2.gz IRZSTZFAHIERGU-GFCCVEGCSA-N 1 1 268.426 2.921 10 0 CFAEMO CCC[NH2+]Cc1cccc(CN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000052380255 519954555 /nfs/dbraw/zinc/95/45/55/519954555.db2.gz VUVVKFQHEGKORB-HUUCEWRRSA-N 1 1 276.424 2.795 10 0 CFAEMO CCC[NH2+]Cc1cccc(CN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000052380257 519954725 /nfs/dbraw/zinc/95/47/25/519954725.db2.gz VUVVKFQHEGKORB-GJZGRUSLSA-N 1 1 276.424 2.795 10 0 CFAEMO CCC[NH2+][C@](C)(CCCC[N@@H+](CC)CC1CC1)C(=O)[O-] ZINC000069239432 520101704 /nfs/dbraw/zinc/10/17/04/520101704.db2.gz OPNTXBZXYIZORV-MRXNPFEDSA-N 1 1 284.444 2.732 10 0 CFAEMO CCCNc1ccc(C[N@@H+](CC)[C@@H](C)COC)cn1 ZINC000050814974 520155285 /nfs/dbraw/zinc/15/52/85/520155285.db2.gz REWMWSXPQUNINF-ZDUSSCGKSA-N 1 1 265.401 2.760 10 0 CFAEMO CC[N@H+](CC(=O)Nc1ccc(Cl)cc1N)CC1CC1 ZINC000069237074 520360235 /nfs/dbraw/zinc/36/02/35/520360235.db2.gz OQOZZFXQSQSRFL-UHFFFAOYSA-N 1 1 281.787 2.593 10 0 CFAEMO CCNc1snnc1C[NH+]1CCCCCCC1 ZINC000050812395 520387065 /nfs/dbraw/zinc/38/70/65/520387065.db2.gz OHLLLSKTVPSURX-UHFFFAOYSA-N 1 1 254.403 2.736 10 0 CFAEMO CC1(C)CN(Cc2c3ccccc3sc2C[NH3+])CCO1 ZINC000052481832 520471330 /nfs/dbraw/zinc/47/13/30/520471330.db2.gz PFWVRBGOKNMOCA-UHFFFAOYSA-N 1 1 290.432 2.971 10 0 CFAEMO CCCCOC[C@@H](O)C[N@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000312907521 520801247 /nfs/dbraw/zinc/80/12/47/520801247.db2.gz UBPZKXQBNJINKC-RYUDHWBXSA-N 1 1 297.361 2.827 10 0 CFAEMO CC1CCC([N@@H+](C)Cc2cc(CNC3CC3)no2)CC1 ZINC000052345393 520937423 /nfs/dbraw/zinc/93/74/23/520937423.db2.gz HKDSORMPQNRUAT-UHFFFAOYSA-N 1 1 277.412 2.937 10 0 CFAEMO CCC[C@H](C)CC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000155575291 521017137 /nfs/dbraw/zinc/01/71/37/521017137.db2.gz VGIDRWFVDWZWFW-IHRRRGAJSA-N 1 1 254.418 2.658 10 0 CFAEMO CCC[C@H]([NH2+][C@H](C)[C@@H]1CCOC1)C(=O)OC(C)(C)C ZINC000157485207 521174479 /nfs/dbraw/zinc/17/44/79/521174479.db2.gz JOTZNOWMBKZQLI-UPJWGTAASA-N 1 1 271.401 2.511 10 0 CFAEMO CCOC(=O)[C@H](CC)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000173414239 521233411 /nfs/dbraw/zinc/23/34/11/521233411.db2.gz LGOHWZHGDIXTER-NWDGAFQWSA-N 1 1 251.326 2.758 10 0 CFAEMO 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ZINC000037340008 173141695 /nfs/dbraw/zinc/14/16/95/173141695.db2.gz PDPCCQPMKRVLOH-CYBMUJFWSA-N 1 1 261.365 2.677 10 0 CFAEMO [NH3+][C@H](Cc1ccc(O)cc1)c1nc2ccc(F)cc2[nH]1 ZINC000037439144 173209223 /nfs/dbraw/zinc/20/92/23/173209223.db2.gz UDCTUKIRQZJADP-GFCCVEGCSA-N 1 1 271.295 2.650 10 0 CFAEMO CC[NH2+]C1(C(=O)OC)CCC(c2ccccc2)CC1 ZINC000037446641 173213456 /nfs/dbraw/zinc/21/34/56/173213456.db2.gz DHZSIFPPTVEHSG-UHFFFAOYSA-N 1 1 261.365 2.866 10 0 CFAEMO CC(C)[NH2+][C@@](C)(C(N)=O)c1cc(Cl)ccc1Cl ZINC000037446561 173213779 /nfs/dbraw/zinc/21/37/79/173213779.db2.gz NEFUCBRWFUSQMQ-GFCCVEGCSA-N 1 1 275.179 2.692 10 0 CFAEMO COc1ccc(CC[C@](C)(C[NH3+])N2CCCCC2)cc1 ZINC000037497407 173236457 /nfs/dbraw/zinc/23/64/57/173236457.db2.gz JPKMCOTZIXGZTE-QGZVFWFLSA-N 1 1 276.424 2.831 10 0 CFAEMO CCC[NH2+][C@@](C)(C(N)=O)c1cc(Cl)ccc1Cl ZINC000037513860 173245656 /nfs/dbraw/zinc/24/56/56/173245656.db2.gz JWCJSODIHQJACS-GFCCVEGCSA-N 1 1 275.179 2.694 10 0 CFAEMO 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/nfs/dbraw/zinc/13/08/67/175130867.db2.gz XKRIXQGAQZQQQE-LSDHHAIUSA-N 1 1 256.434 2.512 10 0 CFAEMO C[NH2+][C@H]1CCCCCC[C@@H]1N(CCOC)CC(C)C ZINC000043970240 175131148 /nfs/dbraw/zinc/13/11/48/175131148.db2.gz GYIJAQUTEGBFMJ-HOTGVXAUSA-N 1 1 270.461 2.902 10 0 CFAEMO CN[C@H](C[N@@H+](CC1CC1)C(C)C)c1ccc2c(c1)OCO2 ZINC000043974296 175133012 /nfs/dbraw/zinc/13/30/12/175133012.db2.gz RGILQRATYHGRKC-OAHLLOKOSA-N 1 1 290.407 2.796 10 0 CFAEMO C[NH2+][C@H](CN(CC1CC1)C(C)C)c1ccc2c(c1)OCO2 ZINC000043974296 175133013 /nfs/dbraw/zinc/13/30/13/175133013.db2.gz RGILQRATYHGRKC-OAHLLOKOSA-N 1 1 290.407 2.796 10 0 CFAEMO CCC[NH2+][C@@H](C)[C@@H](C)N(CCOC)C(CC)CC ZINC000043977293 175133503 /nfs/dbraw/zinc/13/35/03/175133503.db2.gz JKSFEXOPONDUED-UONOGXRCSA-N 1 1 258.450 2.900 10 0 CFAEMO COc1ccccc1[C@@H](O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000044113711 175141115 /nfs/dbraw/zinc/14/11/15/175141115.db2.gz WDWJVQXKBWVZEC-GUTXKFCHSA-N 1 1 263.381 2.707 10 0 CFAEMO CCC[N@@H+](C)Cc1cc([C@H](C)O)ccc1OCC ZINC000044127624 175144312 /nfs/dbraw/zinc/14/43/12/175144312.db2.gz ZMURTJZVUUMHTH-LBPRGKRZSA-N 1 1 251.370 2.980 10 0 CFAEMO COc1ccc([C@H](O)C[N@@H+](C)C2CCCC2)cc1OC ZINC000044128780 175144450 /nfs/dbraw/zinc/14/44/50/175144450.db2.gz WUYJAQSHMKAEDC-CQSZACIVSA-N 1 1 279.380 2.612 10 0 CFAEMO CC[N@@H+](C[C@H](O)c1cccc(OC)c1)C1CCCC1 ZINC000044131941 175144821 /nfs/dbraw/zinc/14/48/21/175144821.db2.gz ITPUMBVKLUFKLL-INIZCTEOSA-N 1 1 263.381 2.993 10 0 CFAEMO CC[C@@H]1CCCC[N@H+]1C[C@H](O)c1cccc(OC)c1 ZINC000044129063 175145038 /nfs/dbraw/zinc/14/50/38/175145038.db2.gz GJPQSHSCXLUZFM-ZBFHGGJFSA-N 1 1 263.381 2.993 10 0 CFAEMO Cc1ccc([C@@H](O)C[N@H+](C)Cc2ccncc2)c(C)c1 ZINC000044134102 175145428 /nfs/dbraw/zinc/14/54/28/175145428.db2.gz ATBYJURGRBFTMZ-KRWDZBQOSA-N 1 1 270.376 2.864 10 0 CFAEMO Cc1ccc([C@@H](O)[C@@H](C)[N@@H+](C)Cc2cccnc2)cc1 ZINC000044133974 175145456 /nfs/dbraw/zinc/14/54/56/175145456.db2.gz DDRKECAOLMELPU-PBHICJAKSA-N 1 1 270.376 2.944 10 0 CFAEMO C[N@@H+](Cc1ccncc1)[C@H]1CCc2ccccc2[C@@H]1O ZINC000044134122 175145751 /nfs/dbraw/zinc/14/57/51/175145751.db2.gz JOMMWARTBBWOJK-IRXDYDNUSA-N 1 1 268.360 2.562 10 0 CFAEMO COc1cccc([C@@H](O)C[N@@H+](C)[C@@H](C)C(C)C)c1 ZINC000044159732 175146899 /nfs/dbraw/zinc/14/68/99/175146899.db2.gz OGJCZHZOAZZRRB-WFASDCNBSA-N 1 1 251.370 2.705 10 0 CFAEMO C[C@@H]([C@@H](O)c1ccccc1)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000044165340 175147968 /nfs/dbraw/zinc/14/79/68/175147968.db2.gz GRZLLYPNWLUWNL-CWRNSKLLSA-N 1 1 263.381 2.609 10 0 CFAEMO COCC[N@@H+](CC(C)C)C[C@H](O)c1ccc(C)cc1 ZINC000044165733 175148001 /nfs/dbraw/zinc/14/80/01/175148001.db2.gz LZSJTXSSOUWOBW-INIZCTEOSA-N 1 1 265.397 2.633 10 0 CFAEMO COCC[N@@H+](CC(C)C)[C@H]1CCc2ccccc2[C@@H]1O ZINC000044165887 175148031 /nfs/dbraw/zinc/14/80/31/175148031.db2.gz KPBFWSCGXBIOIP-IRXDYDNUSA-N 1 1 277.408 2.639 10 0 CFAEMO Cc1ccc([C@H](O)[C@@H](C)[N@@H+](C)C[C@@H]2CCCCO2)cc1 ZINC000044165599 175148145 /nfs/dbraw/zinc/14/81/45/175148145.db2.gz BUWQYCCHFYHVRQ-HYVNUMGLSA-N 1 1 277.408 2.918 10 0 CFAEMO C[N@@H+](C[C@H]1CCCCO1)[C@@H]1CCc2ccccc2[C@@H]1O ZINC000044165475 175148202 /nfs/dbraw/zinc/14/82/02/175148202.db2.gz XLKODFWZUOEUDT-OIISXLGYSA-N 1 1 275.392 2.536 10 0 CFAEMO CCC[N@@H+](CC1CC1)[C@@H]1COc2ccccc2[C@@H]1O ZINC000044168978 175148369 /nfs/dbraw/zinc/14/83/69/175148369.db2.gz QKHAJUUAJTWQND-ZBFHGGJFSA-N 1 1 261.365 2.603 10 0 CFAEMO CC[N@@H+](C[C@H]1CCCO1)[C@@H]1CCCc2ccccc2[C@@H]1O ZINC000044166591 175148430 /nfs/dbraw/zinc/14/84/30/175148430.db2.gz QEXGBHZUKPVRPV-NXHRZFHOSA-N 1 1 289.419 2.926 10 0 CFAEMO C[N@@H+](C[C@@H]1CCCO1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1O ZINC000044171094 175148439 /nfs/dbraw/zinc/14/84/39/175148439.db2.gz RNWADUFLLHZXAK-XQLPTFJDSA-N 1 1 269.429 2.673 10 0 CFAEMO CCc1ccc([C@H](O)[C@H](C)[N@@H+](C)C[C@@H]2CCCO2)cc1 ZINC000044171231 175148797 /nfs/dbraw/zinc/14/87/97/175148797.db2.gz BACXJVVYSXCZKE-RRQGHBQHSA-N 1 1 277.408 2.782 10 0 CFAEMO C[C@@H]1CCC[C@@H]([N@@H+](C)[C@@H]2COc3ccccc3[C@@H]2O)C1 ZINC000044168475 175148851 /nfs/dbraw/zinc/14/88/51/175148851.db2.gz JJLYVCSTHQQDQG-SMKXDYDZSA-N 1 1 275.392 2.992 10 0 CFAEMO CC[C@H]([C@@H](O)c1ccccc1)[N@@H+](C)C1CCN(CC)CC1 ZINC000044172718 175148944 /nfs/dbraw/zinc/14/89/44/175148944.db2.gz GQIZVBAUVGQDJO-MSOLQXFVSA-N 1 1 290.451 2.915 10 0 CFAEMO CCc1ccc([C@@H](O)[C@@H](C)[N@@H+](CC)CCOC)cc1 ZINC000044173337 175149044 /nfs/dbraw/zinc/14/90/44/175149044.db2.gz VLXUOSGDLSMLCM-CJNGLKHVSA-N 1 1 265.397 2.639 10 0 CFAEMO CC[C@@H]1CO[C@@H](C)C[N@H+]1[C@@H]1CCCCCC[C@@H]1O ZINC000044175615 175149799 /nfs/dbraw/zinc/14/97/99/175149799.db2.gz VFLDVADKNDIFST-YJNKXOJESA-N 1 1 255.402 2.569 10 0 CFAEMO CCC(CC)[N@@H+](CCOC)C[C@@H](O)c1ccccc1OC ZINC000044177851 175150852 /nfs/dbraw/zinc/15/08/52/175150852.db2.gz APLPLRCNHKTRQV-MRXNPFEDSA-N 1 1 295.423 2.866 10 0 CFAEMO CCO[C@@H]1CCC[N@@H+](Cc2cc([C@@H](C)O)ccc2OC)C1 ZINC000044179845 175151070 /nfs/dbraw/zinc/15/10/70/175151070.db2.gz VRVRTPRWMQNARO-CZUORRHYSA-N 1 1 293.407 2.749 10 0 CFAEMO COc1cccc([C@@H](O)C[N@@H+](C)CCC(C)C)c1 ZINC000044178808 175151080 /nfs/dbraw/zinc/15/10/80/175151080.db2.gz OHAOQAZHVACSBG-HNNXBMFYSA-N 1 1 251.370 2.707 10 0 CFAEMO CCC(CC)[N@@H+](CCOC)C[C@H](O)c1ccc(OC)cc1 ZINC000044177920 175151148 /nfs/dbraw/zinc/15/11/48/175151148.db2.gz QCVINXGUUTWDLO-KRWDZBQOSA-N 1 1 295.423 2.866 10 0 CFAEMO CCCC[N@@H+]([C@@H](C)CC)[C@@H]1CC2(CC[C@@H]1O)OCCO2 ZINC000044180090 175151525 /nfs/dbraw/zinc/15/15/25/175151525.db2.gz ZIOZRZGKZHCFSV-ZNMIVQPWSA-N 1 1 285.428 2.544 10 0 CFAEMO CCc1[nH+]ccn1[C@H](C)[C@@H](O)c1ccc(OC)cc1 ZINC000044189742 175153080 /nfs/dbraw/zinc/15/30/80/175153080.db2.gz JXKXQOUMZIBPKB-IAQYHMDHSA-N 1 1 260.337 2.749 10 0 CFAEMO COc1cccc(C2CC([NH2+]C[C@@H]3CCCN(C)C3)C2)c1 ZINC000044533505 175197008 /nfs/dbraw/zinc/19/70/08/175197008.db2.gz JPYMFHYSVGCWOR-OOHWJJMZSA-N 1 1 288.435 2.873 10 0 CFAEMO C[N@H+]1CCC[C@@H](CNc2ccc(Br)cc2N)C1 ZINC000044535339 175198587 /nfs/dbraw/zinc/19/85/87/175198587.db2.gz GNDLQABCPGVJDZ-JTQLQIEISA-N 1 1 298.228 2.785 10 0 CFAEMO Cc1nc([C@@H](C)NC[C@H]2CCCC[N@H+]2C)cs1 ZINC000044561283 175205015 /nfs/dbraw/zinc/20/50/15/175205015.db2.gz HOANMEDYETUPPE-ZYHUDNBSSA-N 1 1 253.415 2.586 10 0 CFAEMO Cc1nc([C@@H](C)[NH2+]C[C@H]2CCCCN2C)cs1 ZINC000044561283 175205017 /nfs/dbraw/zinc/20/50/17/175205017.db2.gz HOANMEDYETUPPE-ZYHUDNBSSA-N 1 1 253.415 2.586 10 0 CFAEMO COc1ccc([C@H](C)NC[C@@H]2CCCC[N@@H+]2C)c(OC)c1 ZINC000044561819 175205051 /nfs/dbraw/zinc/20/50/51/175205051.db2.gz DVXQTEPWGXPDGE-KBPBESRZSA-N 1 1 292.423 2.839 10 0 CFAEMO COc1ccc([C@H](C)NC[C@@H]2CCCC[N@H+]2C)c(OC)c1 ZINC000044561819 175205053 /nfs/dbraw/zinc/20/50/53/175205053.db2.gz DVXQTEPWGXPDGE-KBPBESRZSA-N 1 1 292.423 2.839 10 0 CFAEMO C[N@H+]1CCCC[C@H]1CNc1ncnc2ccsc21 ZINC000044563162 175206571 /nfs/dbraw/zinc/20/65/71/175206571.db2.gz IGDQNKDTUQWJRA-JTQLQIEISA-N 1 1 262.382 2.588 10 0 CFAEMO C[N@H+]1CCCC[C@@H]1CNc1ncccc1C(F)(F)F ZINC000044563129 175206625 /nfs/dbraw/zinc/20/66/25/175206625.db2.gz ZCUZCFGZXCKIRM-SNVBAGLBSA-N 1 1 273.302 2.997 10 0 CFAEMO C[N@H+]1CCCC[C@@H]1CNc1ccc(N)cc1Br ZINC000044563512 175206996 /nfs/dbraw/zinc/20/69/96/175206996.db2.gz UDMSHXQTQCWMHT-LLVKDONJSA-N 1 1 298.228 2.928 10 0 CFAEMO CC[C@H]([NH2+]C)c1nc2ccc(Br)cc2[nH]1 ZINC000044623944 175220385 /nfs/dbraw/zinc/22/03/85/175220385.db2.gz OKNJIZFBZDDUCF-QMMMGPOBSA-N 1 1 268.158 2.996 10 0 CFAEMO [NH3+][C@@H](CN[C@H]1C[C@@H]1c1ccccc1)Cc1ccccc1 ZINC000044675794 175226868 /nfs/dbraw/zinc/22/68/68/175226868.db2.gz YGKIGFDLESUMLI-KURKYZTESA-N 1 1 266.388 2.702 10 0 CFAEMO CC[NH2+][C@H]1CCN([C@@H]2C[C@@H]2c2ccccc2)C[C@@H]1C ZINC000044677458 175227696 /nfs/dbraw/zinc/22/76/96/175227696.db2.gz YNZSIJXXRKKPMO-PQEBFOHHSA-N 1 1 258.409 2.862 10 0 CFAEMO S=C1N=NC(c2ccccc2)N1[C@H]1CC[N@H+](C2CC2)C1 ZINC000044726370 175238486 /nfs/dbraw/zinc/23/84/86/175238486.db2.gz FTCYNLSWQJZHBU-ZDUSSCGKSA-N 1 1 286.404 2.643 10 0 CFAEMO COc1ccc(N)cc1NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C ZINC000045064476 175298782 /nfs/dbraw/zinc/29/87/82/175298782.db2.gz WSFKPGVNVMWMSF-LLVKDONJSA-N 1 1 293.411 2.582 10 0 CFAEMO CC[N@@H+](CC(N)=S)Cc1ccccc1Br ZINC000045063323 175298828 /nfs/dbraw/zinc/29/88/28/175298828.db2.gz ZQCRZHUWYANOQO-UHFFFAOYSA-N 1 1 287.226 2.557 10 0 CFAEMO Cc1ccc(N)cc1NC(=O)CC[N@H+](C)CC(C)(C)C ZINC000045064738 175299555 /nfs/dbraw/zinc/29/95/55/175299555.db2.gz VZWIAQMETIWQQH-UHFFFAOYSA-N 1 1 277.412 2.884 10 0 CFAEMO C[N@@H+](Cc1cc2c(cc1N)OCCO2)CC(C)(C)C ZINC000045065075 175299616 /nfs/dbraw/zinc/29/96/16/175299616.db2.gz LWDWLDFYAHQGAT-UHFFFAOYSA-N 1 1 264.369 2.518 10 0 CFAEMO NC[C@@H](c1cccnc1)[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045067482 175300414 /nfs/dbraw/zinc/30/04/14/175300414.db2.gz LAANDCJTSXVZPQ-CVEARBPZSA-N 1 1 259.397 2.736 10 0 CFAEMO [NH3+]C[C@@H](c1cccnc1)N1CCC[C@@H]1C1CCCC1 ZINC000045067482 175300416 /nfs/dbraw/zinc/30/04/16/175300416.db2.gz LAANDCJTSXVZPQ-CVEARBPZSA-N 1 1 259.397 2.736 10 0 CFAEMO COc1cc(OC)cc([C@@H](CN)[N@H+](C)CC(C)(C)C)c1 ZINC000045070504 175301394 /nfs/dbraw/zinc/30/13/94/175301394.db2.gz MBLQEWWJJDBOSY-OAHLLOKOSA-N 1 1 280.412 2.682 10 0 CFAEMO COc1cc(OC)cc([C@@H](CN)[N@@H+](C)CC(C)(C)C)c1 ZINC000045070504 175301395 /nfs/dbraw/zinc/30/13/95/175301395.db2.gz MBLQEWWJJDBOSY-OAHLLOKOSA-N 1 1 280.412 2.682 10 0 CFAEMO Nc1nc(C[N@H+]2CCC[C@H]2C2CCCC2)cs1 ZINC000045074095 175302418 /nfs/dbraw/zinc/30/24/18/175302418.db2.gz CDQWPDLWWDVNEI-LBPRGKRZSA-N 1 1 251.399 2.880 10 0 CFAEMO CC(C)[N@H+]1CC[C@H](Cn2c(=S)[nH]nc2C2CC2)C1 ZINC000045135880 175313241 /nfs/dbraw/zinc/31/32/41/175313241.db2.gz OOUQVLDMEKVSFE-JTQLQIEISA-N 1 1 266.414 2.548 10 0 CFAEMO CCn1nc(C)c([C@H](C)[NH2+]Cc2ccccn2)c1C ZINC000045167679 175319459 /nfs/dbraw/zinc/31/94/59/175319459.db2.gz CMVCZPGIARXICM-NSHDSACASA-N 1 1 258.369 2.766 10 0 CFAEMO Cc1nn(C)c(C)c1[C@H]([NH3+])c1cc2ccccc2o1 ZINC000045168855 175320192 /nfs/dbraw/zinc/32/01/92/175320192.db2.gz FXACSHFABUKBMN-OAHLLOKOSA-N 1 1 255.321 2.831 10 0 CFAEMO CCn1nc(C)c([C@@H](C)NC[C@@H]2CCC[N@@H+](C)C2)c1C ZINC000045172721 175321879 /nfs/dbraw/zinc/32/18/79/175321879.db2.gz WMLVKSTUXSZHAG-DOMZBBRYSA-N 1 1 278.444 2.512 10 0 CFAEMO CCn1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCCN(C)C2)c1C ZINC000045172721 175321880 /nfs/dbraw/zinc/32/18/80/175321880.db2.gz WMLVKSTUXSZHAG-DOMZBBRYSA-N 1 1 278.444 2.512 10 0 CFAEMO CCCN[C@@](C)(C[N@@H+](CC)C1CCCCC1)C(=O)OCC ZINC000045224063 175332194 /nfs/dbraw/zinc/33/21/94/175332194.db2.gz VCLUOQLKIDZMRH-KRWDZBQOSA-N 1 1 298.471 2.962 10 0 CFAEMO CCOC(=O)[C@](C)(C[N@@H+](CC)C1CCCCC1)NC1CC1 ZINC000045224089 175332257 /nfs/dbraw/zinc/33/22/57/175332257.db2.gz FMYWCCACHJUQSU-KRWDZBQOSA-N 1 1 296.455 2.715 10 0 CFAEMO CCCN[C@@](C)(C[N@@H+](CC)C1CCCCC1)C(=O)OC ZINC000045224059 175332323 /nfs/dbraw/zinc/33/23/23/175332323.db2.gz AXRPUQRXYYBUSH-INIZCTEOSA-N 1 1 284.444 2.572 10 0 CFAEMO CCCN[C@](C)(CC[N@@H+](C)C1CCCC1)C(=O)OCC ZINC000045266274 175338776 /nfs/dbraw/zinc/33/87/76/175338776.db2.gz 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294.424 2.626 10 0 CFAEMO CC[N@H+]1CCC[C@H](NC(=O)c2cc(Cl)ccc2NC)C1 ZINC000050777726 521647322 /nfs/dbraw/zinc/64/73/22/521647322.db2.gz JCSZLZYTVIVXRK-LBPRGKRZSA-N 1 1 295.814 2.596 10 0 CFAEMO CC[N@@H+]1CCC[C@H](NCc2cccc3c2OC(C)(C)C3)C1 ZINC000080508976 521648947 /nfs/dbraw/zinc/64/89/47/521648947.db2.gz CRKGNBQYIVULHP-INIZCTEOSA-N 1 1 288.435 2.974 10 0 CFAEMO CC[N@H+]1CCC[C@H](NCc2cccc3c2OC(C)(C)C3)C1 ZINC000080508976 521648950 /nfs/dbraw/zinc/64/89/50/521648950.db2.gz CRKGNBQYIVULHP-INIZCTEOSA-N 1 1 288.435 2.974 10 0 CFAEMO CCCN(CCC[NH3+])Cc1cc(C)ccc1OC ZINC000050702678 521653062 /nfs/dbraw/zinc/65/30/62/521653062.db2.gz ZIAQUQTXKRHSLM-UHFFFAOYSA-N 1 1 250.386 2.564 10 0 CFAEMO CCCn1ccc(CNCC[N@@H+](C)[C@H](C)CC)c1 ZINC000233384316 521655859 /nfs/dbraw/zinc/65/58/59/521655859.db2.gz PPLODFOFTAWZIG-CQSZACIVSA-N 1 1 251.418 2.718 10 0 CFAEMO CCCn1ccc(C[NH2+]CCN(C)[C@H](C)CC)c1 ZINC000233384316 521655865 /nfs/dbraw/zinc/65/58/65/521655865.db2.gz PPLODFOFTAWZIG-CQSZACIVSA-N 1 1 251.418 2.718 10 0 CFAEMO CC[N@@H+]1CC[C@H](N[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000328516936 521721457 /nfs/dbraw/zinc/72/14/57/521721457.db2.gz PXKMGLUVUIWGOG-JQWIXIFHSA-N 1 1 254.324 2.710 10 0 CFAEMO CC[N@H+]1CC[C@H](N[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000328516936 521721458 /nfs/dbraw/zinc/72/14/58/521721458.db2.gz PXKMGLUVUIWGOG-JQWIXIFHSA-N 1 1 254.324 2.710 10 0 CFAEMO CCc1ccccc1[C@@H](CN)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000052203839 521930549 /nfs/dbraw/zinc/93/05/49/521930549.db2.gz YHFFSVGTGMHTFF-KBXCAEBGSA-N 1 1 290.451 2.996 10 0 CFAEMO CCc1ccccc1[C@@H](C[NH3+])N(CCOC)[C@@H](C)C1CC1 ZINC000052203839 521930555 /nfs/dbraw/zinc/93/05/55/521930555.db2.gz YHFFSVGTGMHTFF-KBXCAEBGSA-N 1 1 290.451 2.996 10 0 CFAEMO CC[C@@H](C)C[N@@H+]1CCO[C@@H](c2nc(C)cs2)C1 ZINC000245881397 521990003 /nfs/dbraw/zinc/99/00/03/521990003.db2.gz UIZVLZAEDUVEFI-ZYHUDNBSSA-N 1 1 254.399 2.871 10 0 CFAEMO CC[C@@H](C)C[N@H+]1CCO[C@@H](c2nc(C)cs2)C1 ZINC000245881397 521990008 /nfs/dbraw/zinc/99/00/08/521990008.db2.gz UIZVLZAEDUVEFI-ZYHUDNBSSA-N 1 1 254.399 2.871 10 0 CFAEMO CCc1csc([C@@H]2CCC[N@@H+](CCOC)C2)n1 ZINC000195377475 522114373 /nfs/dbraw/zinc/11/43/73/522114373.db2.gz VFSQGTSRHIJJTF-LLVKDONJSA-N 1 1 254.399 2.531 10 0 CFAEMO CCc1csc([C@H]2CCC[N@@H+](CCn3cccn3)C2)n1 ZINC000195384365 522117420 /nfs/dbraw/zinc/11/74/20/522117420.db2.gz HHXMJPUCWRBSCW-ZDUSSCGKSA-N 1 1 290.436 2.782 10 0 CFAEMO CC[C@H](C[NH2+]C1CC1)N1CCN(C)C[C@@H]1c1ccccc1 ZINC000052416947 522191662 /nfs/dbraw/zinc/19/16/62/522191662.db2.gz YZGDHZZTPZMEHV-QZTJIDSGSA-N 1 1 287.451 2.506 10 0 CFAEMO COC[C@@H](C)[N@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000246536116 522223972 /nfs/dbraw/zinc/22/39/72/522223972.db2.gz JQWBJUCFZJMQPI-DOMZBBRYSA-N 1 1 279.355 2.898 10 0 CFAEMO CC[C@@H](C)[C@@H](C)NC(=O)c1cc2ccccc2c(NN)[nH+]1 ZINC000051112955 522294058 /nfs/dbraw/zinc/29/40/58/522294058.db2.gz DIYLHUSYONZMCG-GHMZBOCLSA-N 1 1 286.379 2.685 10 0 CFAEMO CN[C@@H]1c2ccccc2C[C@@H]1[NH+]1Cc2ccccc2C1 ZINC000050910892 522401122 /nfs/dbraw/zinc/40/11/22/522401122.db2.gz NISGBDKNCUOQPO-ZWKOTPCHSA-N 1 1 264.372 2.888 10 0 CFAEMO CCc1[nH+]ccn1CCC(=O)Nc1ccc(Cl)cc1N ZINC000048821484 522583413 /nfs/dbraw/zinc/58/34/13/522583413.db2.gz KXQFBPXNQZMYFX-UHFFFAOYSA-N 1 1 292.770 2.710 10 0 CFAEMO CNc1nc2cc(OC)ccc2cc1C[N@@H+](C)C1CC1 ZINC000050812665 522689351 /nfs/dbraw/zinc/68/93/51/522689351.db2.gz MONOFGXWOLYRLK-UHFFFAOYSA-N 1 1 271.364 2.879 10 0 CFAEMO C[N@@H+](CCCCC(N)=S)Cc1ccc(F)cc1 ZINC000049582750 522726565 /nfs/dbraw/zinc/72/65/65/522726565.db2.gz UUAWQEFVTWPLQZ-UHFFFAOYSA-N 1 1 254.374 2.714 10 0 CFAEMO CCc1nnc(C[N@@H+]2CCC[C@@H](c3nc(C)cs3)C2)o1 ZINC000195326734 522731873 /nfs/dbraw/zinc/73/18/73/522731873.db2.gz KRGOYQLJMILYPC-LLVKDONJSA-N 1 1 292.408 2.777 10 0 CFAEMO CCc1nnc(C[N@H+]2CCC[C@@H](c3nc(C)cs3)C2)o1 ZINC000195326734 522731874 /nfs/dbraw/zinc/73/18/74/522731874.db2.gz KRGOYQLJMILYPC-LLVKDONJSA-N 1 1 292.408 2.777 10 0 CFAEMO CNc1snnc1C[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000050814259 522732761 /nfs/dbraw/zinc/73/27/61/522732761.db2.gz RQFMYCUFOFHPMI-PWSUYJOCSA-N 1 1 266.414 2.734 10 0 CFAEMO CNc1snnc1C[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000050814259 522732771 /nfs/dbraw/zinc/73/27/71/522732771.db2.gz RQFMYCUFOFHPMI-PWSUYJOCSA-N 1 1 266.414 2.734 10 0 CFAEMO CC[C@H](O)C[NH+]1CCN(CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC000246457843 522814693 /nfs/dbraw/zinc/81/46/93/522814693.db2.gz YPNIXQWTTDPGEE-ZACQAIPSSA-N 1 1 282.472 2.591 10 0 CFAEMO CN(CCOc1ccccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000231669297 522919654 /nfs/dbraw/zinc/91/96/54/522919654.db2.gz WLBNYSBCPSITFL-CYBMUJFWSA-N 1 1 282.815 2.793 10 0 CFAEMO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CCS[C@@H](C)C1 ZINC000246136207 523162590 /nfs/dbraw/zinc/16/25/90/523162590.db2.gz NHANIHGHCDHOLJ-MELADBBJSA-N 1 1 284.469 2.603 10 0 CFAEMO COCCCC[NH2+]C1(c2noc(C(C)C)n2)CCCC1 ZINC000173704277 523172014 /nfs/dbraw/zinc/17/20/14/523172014.db2.gz NPMDFXWOZCGOSC-UHFFFAOYSA-N 1 1 281.400 2.979 10 0 CFAEMO C[N@H+](Cc1ccc(Cl)cc1N)C[C@H]1CCCO1 ZINC000050443069 523231554 /nfs/dbraw/zinc/23/15/54/523231554.db2.gz WFKJHQRQWWUZJR-GFCCVEGCSA-N 1 1 254.761 2.533 10 0 CFAEMO C[N@@H+](Cc1cccc(Br)c1)[C@H]1CCC[C@H]1O ZINC000250228259 523290176 /nfs/dbraw/zinc/29/01/76/523290176.db2.gz LEFCSOBDZPRVIR-QWHCGFSZSA-N 1 1 284.197 2.794 10 0 CFAEMO CC[C@H]1CN(c2ccnc3ccccc32)CC[N@@H+]1CCOC ZINC000174737346 523306148 /nfs/dbraw/zinc/30/61/48/523306148.db2.gz VRDJDFBTEANOJX-HNNXBMFYSA-N 1 1 299.418 2.782 10 0 CFAEMO CC[C@H]1CN(c2ccnc3ccccc32)CC[N@H+]1CCOC ZINC000174737346 523306159 /nfs/dbraw/zinc/30/61/59/523306159.db2.gz VRDJDFBTEANOJX-HNNXBMFYSA-N 1 1 299.418 2.782 10 0 CFAEMO CC[C@@H]1CCN(CCc2cccc(F)c2)CCC[NH2+]1 ZINC000049666267 523333055 /nfs/dbraw/zinc/33/30/55/523333055.db2.gz RPZBOZIPAQJKBX-MRXNPFEDSA-N 1 1 264.388 2.832 10 0 CFAEMO CCn1cc(C2CC[NH+]([C@H](C)c3nnc(C)o3)CC2)cn1 ZINC000195500962 523359703 /nfs/dbraw/zinc/35/97/03/523359703.db2.gz UOPTXYXTAIBLDS-LLVKDONJSA-N 1 1 289.383 2.535 10 0 CFAEMO COCC[N@@H+]([C@@H](CN)c1ccc(F)cc1C)[C@@H](C)C1CC1 ZINC000050579132 523780630 /nfs/dbraw/zinc/78/06/30/523780630.db2.gz KTNXFDHSWJLIGO-GUYCJALGSA-N 1 1 294.414 2.881 10 0 CFAEMO COCC[N@H+]([C@@H](CN)c1ccc(F)cc1C)[C@@H](C)C1CC1 ZINC000050579132 523780639 /nfs/dbraw/zinc/78/06/39/523780639.db2.gz KTNXFDHSWJLIGO-GUYCJALGSA-N 1 1 294.414 2.881 10 0 CFAEMO C[N@H+]1CCCC[C@H]1CCNCc1cccc(F)c1 ZINC000052205445 523798184 /nfs/dbraw/zinc/79/81/84/523798184.db2.gz GDHAVQFDKWSOCC-HNNXBMFYSA-N 1 1 250.361 2.790 10 0 CFAEMO COCC[N@H+]1CCN([C@@H](C)c2ccc(F)cc2)C[C@H]1C ZINC000170938986 523859391 /nfs/dbraw/zinc/85/93/91/523859391.db2.gz CTHWHEDYRHLHLD-KGLIPLIRSA-N 1 1 280.387 2.539 10 0 CFAEMO COCCN1CC[N@@H+]([C@@H](C)c2ccc(F)cc2)C[C@H]1C ZINC000170938986 523859401 /nfs/dbraw/zinc/85/94/01/523859401.db2.gz CTHWHEDYRHLHLD-KGLIPLIRSA-N 1 1 280.387 2.539 10 0 CFAEMO COCCN1CC[N@H+]([C@@H](C)c2ccc(F)cc2)C[C@H]1C ZINC000170938986 523859408 /nfs/dbraw/zinc/85/94/08/523859408.db2.gz CTHWHEDYRHLHLD-KGLIPLIRSA-N 1 1 280.387 2.539 10 0 CFAEMO COCC[N@H+]1CCN([C@@H](C)c2cccc(F)c2)C[C@H]1C ZINC000170938967 523859508 /nfs/dbraw/zinc/85/95/08/523859508.db2.gz CDDMRCKESCKFGQ-KGLIPLIRSA-N 1 1 280.387 2.539 10 0 CFAEMO COCCN1CC[N@@H+]([C@@H](C)c2cccc(F)c2)C[C@H]1C ZINC000170938967 523859518 /nfs/dbraw/zinc/85/95/18/523859518.db2.gz CDDMRCKESCKFGQ-KGLIPLIRSA-N 1 1 280.387 2.539 10 0 CFAEMO COCCN1CC[N@H+]([C@@H](C)c2cccc(F)c2)C[C@H]1C ZINC000170938967 523859522 /nfs/dbraw/zinc/85/95/22/523859522.db2.gz CDDMRCKESCKFGQ-KGLIPLIRSA-N 1 1 280.387 2.539 10 0 CFAEMO CCc1ccc(CN[C@H]2C[N@H+](C(C)C)C[C@H]2C)o1 ZINC000246079209 523947117 /nfs/dbraw/zinc/94/71/17/523947117.db2.gz ZHWNONMSVIBSAI-DOMZBBRYSA-N 1 1 250.386 2.660 10 0 CFAEMO CCc1ccc(C[NH2+][C@H]2CN(C(C)C)C[C@H]2C)o1 ZINC000246079209 523947124 /nfs/dbraw/zinc/94/71/24/523947124.db2.gz ZHWNONMSVIBSAI-DOMZBBRYSA-N 1 1 250.386 2.660 10 0 CFAEMO C[C@H](CC1CCCC1)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000246417633 524102808 /nfs/dbraw/zinc/10/28/08/524102808.db2.gz SNTBGKWBILWMNR-FMKPAKJESA-N 1 1 278.440 2.898 10 0 CFAEMO C[C@@H]1CCCC[C@H]1[N@H+](C)Cc1csc(CN)n1 ZINC000052546771 524162885 /nfs/dbraw/zinc/16/28/85/524162885.db2.gz IBNJAZRYTLXJIX-ZYHUDNBSSA-N 1 1 253.415 2.612 10 0 CFAEMO C[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1csc(CN)n1 ZINC000052546771 524162894 /nfs/dbraw/zinc/16/28/94/524162894.db2.gz IBNJAZRYTLXJIX-ZYHUDNBSSA-N 1 1 253.415 2.612 10 0 CFAEMO C[C@H]1CCC[C@@](CNCCOCC(F)(F)F)([NH+](C)C)C1 ZINC000049311067 524170720 /nfs/dbraw/zinc/17/07/20/524170720.db2.gz ZAXDZENMDMXWPY-QWHCGFSZSA-N 1 1 296.377 2.665 10 0 CFAEMO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(N)c2)[C@@H]1C ZINC000050563060 524219803 /nfs/dbraw/zinc/21/98/03/524219803.db2.gz PUCOXYLJUFTYPK-CHWSQXEVSA-N 1 1 275.396 2.718 10 0 CFAEMO C[C@@H]1CCC[N@H+]([C@@H]2COc3ccccc3[C@@H]2N)[C@@H]1C ZINC000050564326 524244769 /nfs/dbraw/zinc/24/47/69/524244769.db2.gz DLSPASYTEBRNNV-NCZKRNLISA-N 1 1 260.381 2.568 10 0 CFAEMO C[C@@H]1CCCN([C@@H]2COc3ccccc3[C@@H]2[NH3+])[C@@H]1C ZINC000050564326 524244777 /nfs/dbraw/zinc/24/47/77/524244777.db2.gz DLSPASYTEBRNNV-NCZKRNLISA-N 1 1 260.381 2.568 10 0 CFAEMO C[C@@H](C(=O)Nc1cc(N)ccc1F)[NH+]1CCC(C)(C)CC1 ZINC000061818199 524246939 /nfs/dbraw/zinc/24/69/39/524246939.db2.gz OQJIOWSUABVQHE-NSHDSACASA-N 1 1 293.386 2.857 10 0 CFAEMO Cc1cccc(CCCN2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000245549117 524350350 /nfs/dbraw/zinc/35/03/50/524350350.db2.gz NTUWQMPAEMVRFH-KRWDZBQOSA-N 1 1 258.409 2.708 10 0 CFAEMO C[C@H](C[N@H+]1CC[C@@H](O)C12CCCC2)C(F)(F)F ZINC000336132829 524361837 /nfs/dbraw/zinc/36/18/37/524361837.db2.gz YYIPBYMUDRLWPE-NXEZZACHSA-N 1 1 251.292 2.564 10 0 CFAEMO C[C@@H](CC1CCCC1)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000172173310 524431303 /nfs/dbraw/zinc/43/13/03/524431303.db2.gz NWKQDNWPWKZXRR-DZGCQCFKSA-N 1 1 264.413 2.509 10 0 CFAEMO COc1ccccc1CN1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000227353719 524455690 /nfs/dbraw/zinc/45/56/90/524455690.db2.gz GNRVJGVOOJVMSE-HOCLYGCPSA-N 1 1 274.408 2.754 10 0 CFAEMO Cc1ccc(CNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000246460011 524534809 /nfs/dbraw/zinc/53/48/09/524534809.db2.gz YUPUBFQDMDMGFP-ZBFHGGJFSA-N 1 1 289.423 2.523 10 0 CFAEMO Cc1cccc(N2CCOC[C@@H]2C[C@@H](O)c2ccccc2)[nH+]1 ZINC000274689695 524563799 /nfs/dbraw/zinc/56/37/99/524563799.db2.gz ZRWSWAASNJVGHY-DLBZAZTESA-N 1 1 298.386 2.719 10 0 CFAEMO C[C@@H](CN1CCCC1)[NH2+]Cc1cccc(F)c1F ZINC000049164522 524592592 /nfs/dbraw/zinc/59/25/92/524592592.db2.gz RXGKORMILVFZJO-NSHDSACASA-N 1 1 254.324 2.539 10 0 CFAEMO C[C@@H](C[NH+]1CCCC1)NCc1cc2c(c(Cl)c1)OCO2 ZINC000049150041 524592653 /nfs/dbraw/zinc/59/26/53/524592653.db2.gz PBYGZZCMDMOOEP-NSHDSACASA-N 1 1 296.798 2.643 10 0 CFAEMO C[C@@H](C[NH+]1CCCC1)NCc1nc2ccccc2s1 ZINC000049164129 524593100 /nfs/dbraw/zinc/59/31/00/524593100.db2.gz BLDPSXACMNKUIF-LBPRGKRZSA-N 1 1 275.421 2.870 10 0 CFAEMO C[C@@H](CN1CCCC1)[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000049149636 524595689 /nfs/dbraw/zinc/59/56/89/524595689.db2.gz 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CFAEMO NCC[N@H+]1CCCC[C@H](c2ccc3ncccc3c2)C1 ZINC000616627523 352390030 /nfs/dbraw/zinc/39/00/30/352390030.db2.gz JVAAKWHUISNJTP-INIZCTEOSA-N 1 1 269.392 2.763 10 0 CFAEMO NCC[N@@H+]1CCCC[C@H](c2ccc3ccncc3c2)C1 ZINC000616628704 352390532 /nfs/dbraw/zinc/39/05/32/352390532.db2.gz QFERINOCDQWDDN-INIZCTEOSA-N 1 1 269.392 2.763 10 0 CFAEMO NCC[N@H+]1CCCC[C@H](c2ccc3ccncc3c2)C1 ZINC000616628704 352390535 /nfs/dbraw/zinc/39/05/35/352390535.db2.gz QFERINOCDQWDDN-INIZCTEOSA-N 1 1 269.392 2.763 10 0 CFAEMO NCC[N@@H+]1CCC[C@H](c2cccc(Cl)c2)CC1 ZINC000616628707 352391086 /nfs/dbraw/zinc/39/10/86/352391086.db2.gz POCKHMRRKSBWAJ-LBPRGKRZSA-N 1 1 252.789 2.868 10 0 CFAEMO NCC[N@H+]1CCC[C@H](c2cccc(Cl)c2)CC1 ZINC000616628707 352391089 /nfs/dbraw/zinc/39/10/89/352391089.db2.gz POCKHMRRKSBWAJ-LBPRGKRZSA-N 1 1 252.789 2.868 10 0 CFAEMO OCC[N@H+]1CCCCC[C@H]1c1cccc2nnccc21 ZINC000616629666 352391488 /nfs/dbraw/zinc/39/14/88/352391488.db2.gz LJVURNMDBRRCTR-INIZCTEOSA-N 1 1 271.364 2.539 10 0 CFAEMO CC(C)[N@H+]1CCCC[C@H](c2ccccc2C(N)=O)C1 ZINC000616630384 352391703 /nfs/dbraw/zinc/39/17/03/352391703.db2.gz WPPVTQIKHGHJIL-ZDUSSCGKSA-N 1 1 260.381 2.763 10 0 CFAEMO CC(C)[N@H+]1CCN[C@@H](c2cc3ccccc3cn2)C1 ZINC000616632057 352392683 /nfs/dbraw/zinc/39/26/83/352392683.db2.gz KTHJBJQLIYEEGP-MRXNPFEDSA-N 1 1 255.365 2.590 10 0 CFAEMO COc1ccccc1[C@@H]1C[N@@H+](Cc2ccccc2)CCN1 ZINC000616632017 352392959 /nfs/dbraw/zinc/39/29/59/352392959.db2.gz LEYAWVLBYDNEGO-KRWDZBQOSA-N 1 1 282.387 2.842 10 0 CFAEMO COc1ccccc1[C@@H]1CN(Cc2ccccc2)CC[NH2+]1 ZINC000616632017 352392961 /nfs/dbraw/zinc/39/29/61/352392961.db2.gz LEYAWVLBYDNEGO-KRWDZBQOSA-N 1 1 282.387 2.842 10 0 CFAEMO CC(C)(C)[N@H+]1CCN[C@@H](c2cccc3cccnc32)C1 ZINC000616632550 352393134 /nfs/dbraw/zinc/39/31/34/352393134.db2.gz TWRDEDDCPQWUAM-OAHLLOKOSA-N 1 1 269.392 2.980 10 0 CFAEMO CC(C)(C)N1CC[NH2+][C@@H](c2cccc3cccnc32)C1 ZINC000616632550 352393139 /nfs/dbraw/zinc/39/31/39/352393139.db2.gz TWRDEDDCPQWUAM-OAHLLOKOSA-N 1 1 269.392 2.980 10 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2.647 10 0 CFAEMO CC(C)[N@H+]1CCCO[C@@H](c2cc3ccccc3nn2)C1 ZINC000616652583 352399238 /nfs/dbraw/zinc/39/92/38/352399238.db2.gz GZCGDOOXKJHCFU-MRXNPFEDSA-N 1 1 271.364 2.802 10 0 CFAEMO C[N@H+]1CCc2ccccc2[C@@H]1c1ccc(CO)cc1 ZINC000616677802 352409297 /nfs/dbraw/zinc/40/92/97/352409297.db2.gz WLWUBTMIIBKSOF-KRWDZBQOSA-N 1 1 253.345 2.756 10 0 CFAEMO C[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)OC(C)(C)C ZINC000616676890 352409399 /nfs/dbraw/zinc/40/93/99/352409399.db2.gz CLHPQMMNQVLBKT-AWEZNQCLSA-N 1 1 276.380 2.740 10 0 CFAEMO CC[N@H+]1CCOC[C@H](c2ccc3cccnc3c2)C1 ZINC000616658126 352401960 /nfs/dbraw/zinc/40/19/60/352401960.db2.gz BOBBUATWSSTHSE-OAHLLOKOSA-N 1 1 256.349 2.671 10 0 CFAEMO c1ccc(C[N@H+]2CCOC[C@@H](c3cccnc3)C2)cc1 ZINC000616659971 352402378 /nfs/dbraw/zinc/40/23/78/352402378.db2.gz LGFYHFFWFRYLIR-KRWDZBQOSA-N 1 1 268.360 2.698 10 0 CFAEMO OCc1ccccc1[C@H]1COCC[N@@H+](Cc2ccccc2)C1 ZINC000616662304 352403680 /nfs/dbraw/zinc/40/36/80/352403680.db2.gz HCFHBOLKRCSXKA-GOSISDBHSA-N 1 1 297.398 2.795 10 0 CFAEMO CC[N@H+]1CCOC[C@@H](c2ccc3ccccc3n2)C1 ZINC000616662235 352404104 /nfs/dbraw/zinc/40/41/04/352404104.db2.gz ZFKZUPVYZYZEQT-AWEZNQCLSA-N 1 1 256.349 2.671 10 0 CFAEMO C[N@@H+](CCc1cccc(Br)c1)CC(C)(C)O ZINC000136198739 187870255 /nfs/dbraw/zinc/87/02/55/187870255.db2.gz DRGGNEDKBSBTJA-UHFFFAOYSA-N 1 1 286.213 2.694 10 0 CFAEMO C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1ccc2ccccc2n1 ZINC000152675505 188036322 /nfs/dbraw/zinc/03/63/22/188036322.db2.gz NRLCMTBGWADNHF-CJNGLKHVSA-N 1 1 270.376 2.970 10 0 CFAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NCC2=Cc3ccccc3OC2)C1 ZINC000154078305 188121557 /nfs/dbraw/zinc/12/15/57/188121557.db2.gz JDLVSMIWPSODEG-PBHICJAKSA-N 1 1 286.419 2.781 10 0 CFAEMO CC(C)N1C[C@@H](C)[C@@H]([NH2+]CC2=Cc3ccccc3OC2)C1 ZINC000154078305 188121559 /nfs/dbraw/zinc/12/15/59/188121559.db2.gz JDLVSMIWPSODEG-PBHICJAKSA-N 1 1 286.419 2.781 10 0 CFAEMO CC(C)[N@@H+]1C[C@H](NC(=O)c2ccccc2Cl)[C@@H](C)C1 ZINC000155410514 188204916 /nfs/dbraw/zinc/20/49/16/188204916.db2.gz AEJWWPSQIIRKAH-FZMZJTMJSA-N 1 1 280.799 2.799 10 0 CFAEMO CC(C)[N@@H+]1C[C@H](NC(=O)c2cccc3ncccc32)[C@@H](C)C1 ZINC000155455297 188207572 /nfs/dbraw/zinc/20/75/72/188207572.db2.gz AEPCNHOHRABCKN-GUYCJALGSA-N 1 1 297.402 2.693 10 0 CFAEMO Cc1ccc(F)cc1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000155528556 188211955 /nfs/dbraw/zinc/21/19/55/188211955.db2.gz PGMVEEWBZVHIRL-SWLSCSKDSA-N 1 1 278.371 2.593 10 0 CFAEMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1Cc1cncc(Cl)c1 ZINC000621258576 353310271 /nfs/dbraw/zinc/31/02/71/353310271.db2.gz QVVCVSXKVHSION-DOMZBBRYSA-N 1 1 279.815 2.794 10 0 CFAEMO Cc1cnc(CC[N@H+](C)C[C@@](C)(O)c2ccccc2)s1 ZINC000157473772 188319850 /nfs/dbraw/zinc/31/98/50/188319850.db2.gz HATPPSZIILFZDO-MRXNPFEDSA-N 1 1 290.432 2.834 10 0 CFAEMO Cc1ccc([C@H](C)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)o1 ZINC000158202624 188363602 /nfs/dbraw/zinc/36/36/02/188363602.db2.gz NEECHZYFIVAYMZ-UBHSHLNASA-N 1 1 250.386 2.967 10 0 CFAEMO Cc1ccc([C@H](C)[NH2+][C@H]2CN(C(C)C)C[C@@H]2C)o1 ZINC000158202624 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CCOc1cc(CN(C)C[C@@H]2CCC[N@H+]2CC)ccc1O ZINC000211310859 540236868 /nfs/dbraw/zinc/23/68/68/540236868.db2.gz AOQBUZBDYBOUFJ-HNNXBMFYSA-N 1 1 292.423 2.707 10 0 CFAEMO C[C@H](CC1CCCCC1)C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000248615135 540271977 /nfs/dbraw/zinc/27/19/77/540271977.db2.gz LTBMYQOVGLVFAU-SJLPKXTDSA-N 1 1 294.483 2.999 10 0 CFAEMO COC[C@@H](C)C[N@H+]1CCC[C@H]1c1csc(C)n1 ZINC000249938106 540323373 /nfs/dbraw/zinc/32/33/73/540323373.db2.gz SLUURSOXVRBPJK-GWCFXTLKSA-N 1 1 254.399 2.871 10 0 CFAEMO Cc1cccc([C@H](C)[NH2+][C@H]2CCCn3ncnc32)c1 ZINC000176686078 189004655 /nfs/dbraw/zinc/00/46/55/189004655.db2.gz CNWIKOFAZPWNCZ-JSGCOSHPSA-N 1 1 256.353 2.772 10 0 CFAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc(C)nc1C ZINC000176715785 189005500 /nfs/dbraw/zinc/00/55/00/189005500.db2.gz VHZGHCIDRZEZLV-AWEZNQCLSA-N 1 1 290.411 2.646 10 0 CFAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1ccccc1C ZINC000176963637 189017427 /nfs/dbraw/zinc/01/74/27/189017427.db2.gz DRUTUAMCJLKWEK-CQSZACIVSA-N 1 1 260.381 2.551 10 0 CFAEMO CCc1ccsc1C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000177000676 189019876 /nfs/dbraw/zinc/01/98/76/189019876.db2.gz JNKFKIPYFABWNW-ZDUSSCGKSA-N 1 1 280.437 2.867 10 0 CFAEMO COc1ccccc1NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000177030023 189022921 /nfs/dbraw/zinc/02/29/21/189022921.db2.gz UJJDSAOGPKNTNN-OCCSQVGLSA-N 1 1 291.395 2.545 10 0 CFAEMO COc1ccccc1NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000177030041 189022953 /nfs/dbraw/zinc/02/29/53/189022953.db2.gz UJJDSAOGPKNTNN-JSGCOSHPSA-N 1 1 291.395 2.545 10 0 CFAEMO CSc1ccccc1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000177063322 189025317 /nfs/dbraw/zinc/02/53/17/189025317.db2.gz INIKOMVHAVNVST-JSGCOSHPSA-N 1 1 292.448 2.867 10 0 CFAEMO Cc1ccc(C(=O)N2CCC[C@H]2Cn2cc[nH+]c2C)s1 ZINC000177136528 189031494 /nfs/dbraw/zinc/03/14/94/189031494.db2.gz LWUILYKIOVUNHB-ZDUSSCGKSA-N 1 1 289.404 2.866 10 0 CFAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)CC(C)(C)C ZINC000177200489 189036234 /nfs/dbraw/zinc/03/62/34/189036234.db2.gz 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/nfs/dbraw/zinc/16/32/99/189163299.db2.gz VQZYKLGPEMPEBO-ZDUSSCGKSA-N 1 1 292.810 2.959 10 0 CFAEMO O[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000386156361 540832472 /nfs/dbraw/zinc/83/24/72/540832472.db2.gz DOYBVEXONASXMM-GRYCIOLGSA-N 1 1 265.319 2.812 10 0 CFAEMO COCc1cccc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000179197889 189176712 /nfs/dbraw/zinc/17/67/12/189176712.db2.gz GETCPUNJCQUUSY-IRXDYDNUSA-N 1 1 275.392 2.976 10 0 CFAEMO COCc1cccc(C[N@H+]2CCC[C@H]2c2cnn(C)c2)c1 ZINC000179210540 189177731 /nfs/dbraw/zinc/17/77/31/189177731.db2.gz GELYSXGATCEOFL-KRWDZBQOSA-N 1 1 285.391 2.904 10 0 CFAEMO COc1ccccc1/C=C/C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000179467453 189195958 /nfs/dbraw/zinc/19/59/58/189195958.db2.gz PHCVPFIXNKJYMB-RRGWEWPQSA-N 1 1 298.390 2.637 10 0 CFAEMO CCC[N@@H+]1CC[C@H](N[C@@H](C)c2c(C)nn(CC)c2C)C1 ZINC000389272580 540941672 /nfs/dbraw/zinc/94/16/72/540941672.db2.gz RIANERPXVRBWPT-WFASDCNBSA-N 1 1 278.444 2.655 10 0 CFAEMO CCC[N@H+]1CC[C@H](N[C@@H](C)c2c(C)nn(CC)c2C)C1 ZINC000389272580 540941674 /nfs/dbraw/zinc/94/16/74/540941674.db2.gz RIANERPXVRBWPT-WFASDCNBSA-N 1 1 278.444 2.655 10 0 CFAEMO Cc1cnc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)s1 ZINC000180503780 189259336 /nfs/dbraw/zinc/25/93/36/189259336.db2.gz YSQRTELQDHFPEK-ZDUSSCGKSA-N 1 1 288.420 2.781 10 0 CFAEMO Cc1cnc(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)s1 ZINC000180503780 189259337 /nfs/dbraw/zinc/25/93/37/189259337.db2.gz YSQRTELQDHFPEK-ZDUSSCGKSA-N 1 1 288.420 2.781 10 0 CFAEMO CC(C)[N@@H+](C)C[C@H](O)CN[C@@H](C)c1ccc(Cl)s1 ZINC000311021934 541026832 /nfs/dbraw/zinc/02/68/32/541026832.db2.gz RBWGJQSHGSMCPT-WDEREUQCSA-N 1 1 290.860 2.753 10 0 CFAEMO Cc1cnn([C@@H]2CCC[N@@H+](Cc3ccc(CO)cc3)C2)c1 ZINC000182760555 189333677 /nfs/dbraw/zinc/33/36/77/189333677.db2.gz YWBHBTVKLCQXMV-QGZVFWFLSA-N 1 1 285.391 2.521 10 0 CFAEMO Cc1ccc([C@H](C)[NH2+]CC(=O)N2C[C@H](C)C[C@H](C)C2)o1 ZINC000183066776 189344961 /nfs/dbraw/zinc/34/49/61/189344961.db2.gz IPACATQGAGIKBE-SCRDCRAPSA-N 1 1 278.396 2.743 10 0 CFAEMO C[C@@H](Nc1nc(N(C)C)cc[nH+]1)c1ccc(F)c(F)c1 ZINC000301726681 201162038 /nfs/dbraw/zinc/16/20/38/201162038.db2.gz NBROWQGCHWOGAD-SECBINFHSA-N 1 1 278.306 2.994 10 0 CFAEMO CCc1nsc(NC[C@H]2CCC[N@H+]2CC(C)C)n1 ZINC000301777126 201190825 /nfs/dbraw/zinc/19/08/25/201190825.db2.gz OYWHCKDDOUAGFU-LLVKDONJSA-N 1 1 268.430 2.633 10 0 CFAEMO CCc1cc(N(C)Cc2cc(Cl)cn2C)nc(C)[nH+]1 ZINC000302079283 201334829 /nfs/dbraw/zinc/33/48/29/201334829.db2.gz ILSZBWJPAMZZOI-UHFFFAOYSA-N 1 1 278.787 2.976 10 0 CFAEMO CC(C)[C@H](C)[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000318980589 541248484 /nfs/dbraw/zinc/24/84/84/541248484.db2.gz IMBZABHZVKBNAR-QWRGUYRKSA-N 1 1 253.308 2.810 10 0 CFAEMO Cc1cc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C)o2)on1 ZINC000193068043 541410430 /nfs/dbraw/zinc/41/04/30/541410430.db2.gz OXNZKQQZIRKCSO-QWRGUYRKSA-N 1 1 277.324 2.562 10 0 CFAEMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCCSC ZINC000245452433 284166702 /nfs/dbraw/zinc/16/67/02/284166702.db2.gz QIPMFIMCOGYZOR-XQQFMLRXSA-N 1 1 271.426 2.546 10 0 CFAEMO Brc1cc(C[NH+]2CCCCCC2)on1 ZINC000276553349 193378380 /nfs/dbraw/zinc/37/83/80/193378380.db2.gz KPPQPYQROZTDFM-UHFFFAOYSA-N 1 1 259.147 2.813 10 0 CFAEMO Brc1cc(C[NH+]2C[C@@H]3CCC[C@H]3C2)on1 ZINC000276599484 193396138 /nfs/dbraw/zinc/39/61/38/193396138.db2.gz QZLMXDVXEZEGLB-IUCAKERBSA-N 1 1 271.158 2.669 10 0 CFAEMO C[C@@H](O)c1ccc2[nH]cc(C3=CC[N@@H+](C)CC3)c2c1 ZINC000013731879 372046420 /nfs/dbraw/zinc/04/64/20/372046420.db2.gz PSVDVBKNSYJLGX-LLVKDONJSA-N 1 1 256.349 2.940 10 0 CFAEMO O=C(C[NH+]1CCCCCC1)Nc1nc2c(s1)CCCC2 ZINC000016740508 372117816 /nfs/dbraw/zinc/11/78/16/372117816.db2.gz PXHJEYMDERLRHA-UHFFFAOYSA-N 1 1 293.436 2.836 10 0 CFAEMO C[NH+]1CCN(c2cc(C=O)cc(-c3ccccc3)c2)CC1 ZINC000021988777 372244832 /nfs/dbraw/zinc/24/48/32/372244832.db2.gz TYECDXDBTFYBTC-UHFFFAOYSA-N 1 1 280.371 2.918 10 0 CFAEMO CC[N@@H+](CC(=O)[O-])C1CC[NH+](CC2CCCCCC2)CC1 ZINC000263568301 383682980 /nfs/dbraw/zinc/68/29/80/383682980.db2.gz GYIFVIHWXCJILE-UHFFFAOYSA-N 1 1 296.455 2.828 10 0 CFAEMO [NH3+][C@H](CCc1ccccc1)C(=O)OCc1ccccc1 ZINC000034614834 372510696 /nfs/dbraw/zinc/51/06/96/372510696.db2.gz VYEIIPLQOBKTAZ-MRXNPFEDSA-N 1 1 269.344 2.690 10 0 CFAEMO CSCC[C@H]([NH3+])c1nc2ccc(Cl)cc2[nH]1 ZINC000034939103 372518312 /nfs/dbraw/zinc/51/83/12/372518312.db2.gz XKDBRKURWVWCQX-QMMMGPOBSA-N 1 1 255.774 2.969 10 0 CFAEMO CCC[N@H+](Cc1cccs1)C[C@@H](O)COC(C)C ZINC000036096621 372557951 /nfs/dbraw/zinc/55/79/51/372557951.db2.gz RVOSAEDZFQBCDN-CYBMUJFWSA-N 1 1 271.426 2.746 10 0 CFAEMO Cc1cc([C@H]([NH3+])CN)cc(C)c1OCc1ccccc1 ZINC000044470281 373004350 /nfs/dbraw/zinc/00/43/50/373004350.db2.gz OXGPMIYQHJDULH-MRXNPFEDSA-N 1 1 270.376 2.841 10 0 CFAEMO CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H](C)c2ccc(C)cc2)C1 ZINC000052553437 373446254 /nfs/dbraw/zinc/44/62/54/373446254.db2.gz CIINIFORFPUNGH-GOEBONIOSA-N 1 1 289.423 2.840 10 0 CFAEMO FC(F)(F)COCCC[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000054317295 373517458 /nfs/dbraw/zinc/51/74/58/373517458.db2.gz WXSGWOHBOXDYNB-VXGBXAGGSA-N 1 1 281.318 2.599 10 0 CFAEMO CC(C)[C@H](C)NC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000055071221 373538826 /nfs/dbraw/zinc/53/88/26/373538826.db2.gz AACJFJCSYLYBJW-HNNXBMFYSA-N 1 1 289.423 2.558 10 0 CFAEMO CC[N@H+]1CCC[C@@H](NC(=O)N(CCC(C)C)C2CC2)C1 ZINC000057870494 373615386 /nfs/dbraw/zinc/61/53/86/373615386.db2.gz GDGQVLDLCNZZFO-CQSZACIVSA-N 1 1 281.444 2.691 10 0 CFAEMO CC(C)[C@@H](C)NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000073441310 374342121 /nfs/dbraw/zinc/34/21/21/374342121.db2.gz OTQJDYGOMAXMFF-ZIAGYGMSSA-N 1 1 269.433 2.547 10 0 CFAEMO C[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000076149914 374538199 /nfs/dbraw/zinc/53/81/99/374538199.db2.gz HGTDBUGLMZAXSP-BFYDXBDKSA-N 1 1 277.408 2.685 10 0 CFAEMO CC(=O)N[C@H]1CCC[N@H+]([C@@H](C)CCc2ccccc2)C1 ZINC000079198946 374598465 /nfs/dbraw/zinc/59/84/65/374598465.db2.gz CURHMTVURABWKX-YOEHRIQHSA-N 1 1 274.408 2.608 10 0 CFAEMO 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286.379 2.536 10 0 CFAEMO COc1c(C[N@H+](C)Cc2ccc(C)s2)c(C)nn1C ZINC000093049365 375180367 /nfs/dbraw/zinc/18/03/67/375180367.db2.gz HXRBOQGMXNCEAO-UHFFFAOYSA-N 1 1 279.409 2.739 10 0 CFAEMO COc1c(C[N@@H+](C)Cc2ccc(C)s2)c(C)nn1C ZINC000093049365 375180373 /nfs/dbraw/zinc/18/03/73/375180373.db2.gz HXRBOQGMXNCEAO-UHFFFAOYSA-N 1 1 279.409 2.739 10 0 CFAEMO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1O ZINC000093438145 375236871 /nfs/dbraw/zinc/23/68/71/375236871.db2.gz AXGFTSOYZHGWFD-CQSZACIVSA-N 1 1 287.363 2.851 10 0 CFAEMO COc1ccc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1O ZINC000093438145 375236876 /nfs/dbraw/zinc/23/68/76/375236876.db2.gz AXGFTSOYZHGWFD-CQSZACIVSA-N 1 1 287.363 2.851 10 0 CFAEMO COc1c(C[N@@H+]2CCC[C@H]2c2ccco2)c(C)nn1C ZINC000093335260 375212007 /nfs/dbraw/zinc/21/20/07/375212007.db2.gz JRFLQYJTGGHSQW-ZDUSSCGKSA-N 1 1 275.352 2.667 10 0 CFAEMO COc1c(C[N@H+]2CCC[C@H]2c2ccco2)c(C)nn1C ZINC000093335260 375212009 /nfs/dbraw/zinc/21/20/09/375212009.db2.gz JRFLQYJTGGHSQW-ZDUSSCGKSA-N 1 1 275.352 2.667 10 0 CFAEMO COc1c(C[N@H+]2CCC3(C2)CCCCC3)c(C)nn1C ZINC000093663728 375292054 /nfs/dbraw/zinc/29/20/54/375292054.db2.gz WDXRBGKEUXIRRS-UHFFFAOYSA-N 1 1 277.412 2.893 10 0 CFAEMO COc1c(C[N@@H+]2C[C@@H](C)[C@@H]2c2ccccc2)c(C)nn1C ZINC000093867517 375323419 /nfs/dbraw/zinc/32/34/19/375323419.db2.gz SQCBSSLQLAIPOP-MLGOLLRUSA-N 1 1 285.391 2.930 10 0 CFAEMO COc1c(C[N@H+]2C[C@@H](C)[C@@H]2c2ccccc2)c(C)nn1C ZINC000093867517 375323426 /nfs/dbraw/zinc/32/34/26/375323426.db2.gz SQCBSSLQLAIPOP-MLGOLLRUSA-N 1 1 285.391 2.930 10 0 CFAEMO CC[C@H](C)C[N@@H+](CC)Cc1c(C)nn(C)c1OC ZINC000093844954 375323639 /nfs/dbraw/zinc/32/36/39/375323639.db2.gz ZWQCSIVXPMNJKM-NSHDSACASA-N 1 1 253.390 2.605 10 0 CFAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1scnc1C ZINC000094449744 375362258 /nfs/dbraw/zinc/36/22/58/375362258.db2.gz SCZDZNAWHDXBCB-QWHCGFSZSA-N 1 1 265.426 2.510 10 0 CFAEMO C[C@@H]1CN2CCCC[C@@H]2C[N@H+]1C[C@@H]1Cc2ccccc21 ZINC000094435183 375363431 /nfs/dbraw/zinc/36/34/31/375363431.db2.gz XLIVUNVUOHHMNX-HYVNUMGLSA-N 1 1 270.420 2.885 10 0 CFAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(OC)cc1 ZINC000094447565 375363489 /nfs/dbraw/zinc/36/34/89/375363489.db2.gz JNPMCGNDXILIAL-JKSUJKDBSA-N 1 1 274.408 2.754 10 0 CFAEMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=O)Nc1ccc(F)cc1F)C2 ZINC000100244154 375616920 /nfs/dbraw/zinc/61/69/20/375616920.db2.gz BXNRARWHAFNOJQ-ZSBIGDGJSA-N 1 1 295.333 2.712 10 0 CFAEMO Cc1cnn([C@H]2CCC[N@H+](CCCOC(C)C)C2)c1 ZINC000105923304 375793964 /nfs/dbraw/zinc/79/39/64/375793964.db2.gz ANPBJOVZDFDXSN-HNNXBMFYSA-N 1 1 265.401 2.644 10 0 CFAEMO CCc1sc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1C ZINC000113226542 375999831 /nfs/dbraw/zinc/99/98/31/375999831.db2.gz IBJZTHHDGZFPKV-STQMWFEESA-N 1 1 292.448 2.928 10 0 CFAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(OC(F)F)cc1 ZINC000113266948 376003980 /nfs/dbraw/zinc/00/39/80/376003980.db2.gz LDGKZMYGVUJEQO-GXTWGEPZSA-N 1 1 296.361 2.957 10 0 CFAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(OC(F)F)cc1 ZINC000113266945 376004801 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C[C@@H]1CCCC[N@H+]1CCCC(=O)Nc1ccccc1N ZINC000022155727 171362520 /nfs/dbraw/zinc/36/25/20/171362520.db2.gz LNAIHXGBPIGULY-CYBMUJFWSA-N 1 1 275.396 2.862 10 0 CFAEMO CC[NH+](CC)[C@H](CN)c1ccc(OC)c(OC(F)F)c1 ZINC000022162065 171364199 /nfs/dbraw/zinc/36/41/99/171364199.db2.gz AQJZSFORYROBRS-LLVKDONJSA-N 1 1 288.338 2.638 10 0 CFAEMO COc1cccc([C@@H](CN)[N@H+](C)C2CCCCC2)c1OC ZINC000022168995 171367188 /nfs/dbraw/zinc/36/71/88/171367188.db2.gz BTHVWTRVJXJKFY-OAHLLOKOSA-N 1 1 292.423 2.968 10 0 CFAEMO COc1cccc([C@@H](CN)[N@@H+](C)C2CCCCC2)c1OC ZINC000022168995 171367189 /nfs/dbraw/zinc/36/71/89/171367189.db2.gz BTHVWTRVJXJKFY-OAHLLOKOSA-N 1 1 292.423 2.968 10 0 CFAEMO C[C@@H]1C[C@H](C)C[N@H+](CCC(=O)Nc2ccc(F)cc2N)C1 ZINC000022215497 171375504 /nfs/dbraw/zinc/37/55/04/171375504.db2.gz WAHBWMFPQYXCLZ-TXEJJXNPSA-N 1 1 293.386 2.714 10 0 CFAEMO COc1ccc([C@H](CN)[N@@H+](C)C2CCCCC2)cc1OC ZINC000022218634 171376571 /nfs/dbraw/zinc/37/65/71/171376571.db2.gz UESGEUIQEUOCOZ-HNNXBMFYSA-N 1 1 292.423 2.968 10 0 CFAEMO COc1ccc([C@H](C[NH3+])N(C)C2CCCCC2)cc1OC ZINC000022218634 171376573 /nfs/dbraw/zinc/37/65/73/171376573.db2.gz UESGEUIQEUOCOZ-HNNXBMFYSA-N 1 1 292.423 2.968 10 0 CFAEMO CC[NH+](CC)[C@@H](CN)c1ccc(OC(F)(F)F)cc1 ZINC000022219510 171377415 /nfs/dbraw/zinc/37/74/15/171377415.db2.gz MDFBKVRNXNPMBI-LBPRGKRZSA-N 1 1 276.302 2.927 10 0 CFAEMO COc1ccc([C@@H](N)C[N@@H+]2[C@H](C)CCC[C@@H]2C)c(OC)c1 ZINC000022566302 171391887 /nfs/dbraw/zinc/39/18/87/171391887.db2.gz GHGNDPAREFVQGB-ZENOOKHLSA-N 1 1 292.423 2.967 10 0 CFAEMO COc1ccc([C@@H]([NH3+])CN2[C@H](C)CCC[C@@H]2C)c(OC)c1 ZINC000022566302 171391888 /nfs/dbraw/zinc/39/18/88/171391888.db2.gz GHGNDPAREFVQGB-ZENOOKHLSA-N 1 1 292.423 2.967 10 0 CFAEMO CCN(CC)C[C@H]([NH3+])c1ccc(OC(C)C)cc1 ZINC000022564556 171391900 /nfs/dbraw/zinc/39/19/00/171391900.db2.gz SNTLXUSOYWPNLE-HNNXBMFYSA-N 1 1 250.386 2.815 10 0 CFAEMO COc1ccc([C@H](N)[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000022564982 171392109 /nfs/dbraw/zinc/39/21/09/171392109.db2.gz BJBHMKMTXBYFOR-DVOMOZLQSA-N 1 1 262.397 2.815 10 0 CFAEMO COc1ccc([C@H]([NH3+])[C@H](C)N2CCC[C@@H](C)C2)cc1 ZINC000022564982 171392111 /nfs/dbraw/zinc/39/21/11/171392111.db2.gz BJBHMKMTXBYFOR-DVOMOZLQSA-N 1 1 262.397 2.815 10 0 CFAEMO CN1CCN([C@@H]2CCCCCCCCCC[C@@H]2[NH3+])CC1 ZINC000023070176 171410307 /nfs/dbraw/zinc/41/03/07/171410307.db2.gz JAVOVDOLBQKMDS-DLBZAZTESA-N 1 1 281.488 2.844 10 0 CFAEMO C[C@H](CN1C[C@H]2CCC[N@H+]2C[C@H]1C)c1ccccc1 ZINC000035360864 172152826 /nfs/dbraw/zinc/15/28/26/172152826.db2.gz DARBCOQPEQLZDT-BFYDXBDKSA-N 1 1 258.409 2.959 10 0 CFAEMO C[C@H](C[N@@H+]1C[C@H]2CCCN2C[C@H]1C)c1ccccc1 ZINC000035360864 172152829 /nfs/dbraw/zinc/15/28/29/172152829.db2.gz DARBCOQPEQLZDT-BFYDXBDKSA-N 1 1 258.409 2.959 10 0 CFAEMO C[C@H](C[N@H+]1C[C@H]2CCCN2C[C@H]1C)c1ccccc1 ZINC000035360864 172152831 /nfs/dbraw/zinc/15/28/31/172152831.db2.gz DARBCOQPEQLZDT-BFYDXBDKSA-N 1 1 258.409 2.959 10 0 CFAEMO Cc1c(N)cccc1C[N@@H+](C)CCc1ccccn1 ZINC000035649090 172325617 /nfs/dbraw/zinc/32/56/17/172325617.db2.gz QPTNUGWZQLWKCE-UHFFFAOYSA-N 1 1 255.365 2.647 10 0 CFAEMO CC[C@@H](C)C[N@H+](C)[C@@H](CN)c1ccccc1OC ZINC000037172614 173006393 /nfs/dbraw/zinc/00/63/93/173006393.db2.gz YIYBVUWECTVVSJ-OCCSQVGLSA-N 1 1 250.386 2.673 10 0 CFAEMO CC[C@@H](C)C[N@@H+](C)[C@@H](CN)c1ccccc1OC ZINC000037172614 173006396 /nfs/dbraw/zinc/00/63/96/173006396.db2.gz YIYBVUWECTVVSJ-OCCSQVGLSA-N 1 1 250.386 2.673 10 0 CFAEMO CC[C@H](C)C[N@@H+](C)C[C@H](N)c1ccccc1OC ZINC000037172853 173006939 /nfs/dbraw/zinc/00/69/39/173006939.db2.gz RHDDFHUZIFSOQM-JSGCOSHPSA-N 1 1 250.386 2.673 10 0 CFAEMO C[N@H+]1CCCC[C@H]1CCSc1ccc(N)nc1 ZINC000037191965 173021275 /nfs/dbraw/zinc/02/12/75/173021275.db2.gz BHMNUQMOCXDMLA-NSHDSACASA-N 1 1 251.399 2.630 10 0 CFAEMO CC(C)c1nn(C)cc1C[NH2+][C@@H](C)c1ccccn1 ZINC000037219049 173037008 /nfs/dbraw/zinc/03/70/08/173037008.db2.gz PLEJMGKMUQOIOQ-LBPRGKRZSA-N 1 1 258.369 2.789 10 0 CFAEMO CC[N@@H+]1CCC[C@H]([C@@H](C)N[C@@H](C)c2ccncc2)C1 ZINC000037220144 173038119 /nfs/dbraw/zinc/03/81/19/173038119.db2.gz PNOGSYXPZQLUPS-LZWOXQAQSA-N 1 1 261.413 2.853 10 0 CFAEMO CC[N@H+]1CCC[C@H]([C@@H](C)N[C@@H](C)c2ccncc2)C1 ZINC000037220144 173038122 /nfs/dbraw/zinc/03/81/22/173038122.db2.gz PNOGSYXPZQLUPS-LZWOXQAQSA-N 1 1 261.413 2.853 10 0 CFAEMO CC(C)N(CCC[NH3+])Cc1ccc2ccccc2n1 ZINC000037299592 173104180 /nfs/dbraw/zinc/10/41/80/173104180.db2.gz QTLAWPNJOILMSO-UHFFFAOYSA-N 1 1 257.381 2.794 10 0 CFAEMO CC(C)[C@H](C)[N@@H+](C)CC(=O)c1ccc2c(c1)OCO2 ZINC000037338964 173140065 /nfs/dbraw/zinc/14/00/65/173140065.db2.gz ASDDWVWMZHDCQP-NSHDSACASA-N 1 1 263.337 2.574 10 0 CFAEMO CCCN(CCC)[C@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037363705 173152655 /nfs/dbraw/zinc/15/26/55/173152655.db2.gz ZATRDKIMXFNGNW-OAHLLOKOSA-N 1 1 262.397 2.743 10 0 CFAEMO COc1cc(C[NH2+][C@@H](C)c2ccco2)cc2c1OCCO2 ZINC000037389235 173172137 /nfs/dbraw/zinc/17/21/37/173172137.db2.gz ZTRFGBJAMCEXGR-NSHDSACASA-N 1 1 289.331 2.910 10 0 CFAEMO COC(=O)[C@H](CC(C)C)[NH2+]C[C@H](C)c1ccccc1 ZINC000037413488 173190051 /nfs/dbraw/zinc/19/00/51/173190051.db2.gz HPTLVLXZGUPCCP-ZFWWWQNUSA-N 1 1 263.381 2.967 10 0 CFAEMO COC(=O)[C@@H](CC(C)C)[NH2+]C[C@H](C)c1ccccc1 ZINC000037413490 173190196 /nfs/dbraw/zinc/19/01/96/173190196.db2.gz HPTLVLXZGUPCCP-DZGCQCFKSA-N 1 1 263.381 2.967 10 0 CFAEMO CCC[NH2+][C@@](C)(C(N)=O)c1ccc(Cl)cc1Cl ZINC000037513784 173244985 /nfs/dbraw/zinc/24/49/85/173244985.db2.gz CACSRPHUVJEDGU-GFCCVEGCSA-N 1 1 275.179 2.694 10 0 CFAEMO COC(=O)[C@@]1([NH2+]C2CC2)CCCC[C@H]1C(C)(C)C ZINC000037513927 173245539 /nfs/dbraw/zinc/24/55/39/173245539.db2.gz HAAGALZUDSOBIW-SWLSCSKDSA-N 1 1 253.386 2.887 10 0 CFAEMO C[C@@H]1C[N@H+](C[C@@H]2CCCCC2(F)F)C[C@H](C)[C@H]1O ZINC000661621495 414091202 /nfs/dbraw/zinc/09/12/02/414091202.db2.gz NHGRFAMZOZGFHE-QNWHQSFQSA-N 1 1 261.356 2.761 10 0 CFAEMO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CCCCCC2)o1 ZINC000037977802 173934256 /nfs/dbraw/zinc/93/42/56/173934256.db2.gz WTUVYNMGRPHNHR-CYBMUJFWSA-N 1 1 264.369 2.641 10 0 CFAEMO C[C@@H](CN[C@H]1CCc2c1cccc2O)[NH+]1CCCCC1 ZINC000038028908 174018177 /nfs/dbraw/zinc/01/81/77/174018177.db2.gz MQMKLKYXZNXGMI-BBRMVZONSA-N 1 1 274.408 2.844 10 0 CFAEMO COc1ccc(C[N@H+]2CCc3c(N)cccc3C2)cc1O ZINC000038032585 174029183 /nfs/dbraw/zinc/02/91/83/174029183.db2.gz UKBFBSHPQBGHSW-UHFFFAOYSA-N 1 1 284.359 2.541 10 0 CFAEMO Nc1cccc2c1CC[N@@H+](CCOc1ccccc1F)C2 ZINC000038032806 174029731 /nfs/dbraw/zinc/02/97/31/174029731.db2.gz VKQMYHAXUCREHB-UHFFFAOYSA-N 1 1 286.350 2.845 10 0 CFAEMO Nc1cccc2c1CC[N@@H+](CCOc1ccc(F)cc1)C2 ZINC000038032820 174030023 /nfs/dbraw/zinc/03/00/23/174030023.db2.gz GZANLFWBZCKIOC-UHFFFAOYSA-N 1 1 286.350 2.845 10 0 CFAEMO CCCN(CCC)[C@H](C[NH3+])c1cccc(OC)c1 ZINC000038827562 174155870 /nfs/dbraw/zinc/15/58/70/174155870.db2.gz DMSKXPZWWDQRKS-OAHLLOKOSA-N 1 1 250.386 2.817 10 0 CFAEMO CC[NH+](CC)[C@H](CN)c1ccc(OC(C)C)cc1 ZINC000038983684 174160928 /nfs/dbraw/zinc/16/09/28/174160928.db2.gz NPBYYXOJMRURJV-OAHLLOKOSA-N 1 1 250.386 2.815 10 0 CFAEMO C[N@H+]1CCC[C@@H]1CCOc1c(N)cccc1Cl ZINC000040240448 174212494 /nfs/dbraw/zinc/21/24/94/174212494.db2.gz OTBINOPMWVPQCT-SNVBAGLBSA-N 1 1 254.761 2.785 10 0 CFAEMO CC[N@@H+]1CCC[C@@H](N[C@@H](C)c2ccc(OC)cc2OC)C1 ZINC000040502360 174299031 /nfs/dbraw/zinc/29/90/31/174299031.db2.gz LITYYBGVYRRBRG-UONOGXRCSA-N 1 1 292.423 2.839 10 0 CFAEMO CC[N@H+]1CCC[C@@H](N[C@@H](C)c2ccc(OC)cc2OC)C1 ZINC000040502360 174299032 /nfs/dbraw/zinc/29/90/32/174299032.db2.gz LITYYBGVYRRBRG-UONOGXRCSA-N 1 1 292.423 2.839 10 0 CFAEMO CCCN(c1[nH+]c(C)cc(C)c1C(N)=S)C(C)C ZINC000040510225 174304189 /nfs/dbraw/zinc/30/41/89/174304189.db2.gz NWITZTQHFAEURG-UHFFFAOYSA-N 1 1 265.426 2.957 10 0 CFAEMO Cc1ncsc1[C@@H](C)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000040623441 174355721 /nfs/dbraw/zinc/35/57/21/174355721.db2.gz AMDMFDDXZLTGTQ-DGCLKSJQSA-N 1 1 267.442 2.832 10 0 CFAEMO C[C@@H](N[C@@H]1CCC[N@H+](C)C1)c1c(F)cccc1F ZINC000040671908 174369245 /nfs/dbraw/zinc/36/92/45/174369245.db2.gz RQKQWSHKVLCWIJ-GHMZBOCLSA-N 1 1 254.324 2.710 10 0 CFAEMO C[C@@H](N[C@@H]1CCC[N@@H+](C)C1)c1c(F)cccc1F ZINC000040671908 174369246 /nfs/dbraw/zinc/36/92/46/174369246.db2.gz RQKQWSHKVLCWIJ-GHMZBOCLSA-N 1 1 254.324 2.710 10 0 CFAEMO CCOC1CC[NH+](C[C@@H](N)c2cc(C)ccc2OC)CC1 ZINC000040689261 174376115 /nfs/dbraw/zinc/37/61/15/174376115.db2.gz DRFUMFDPPDVSKF-MRXNPFEDSA-N 1 1 292.423 2.504 10 0 CFAEMO CCOC1CC[NH+](C[C@@H](N)c2cc(C)ccc2C)CC1 ZINC000040689314 174376437 /nfs/dbraw/zinc/37/64/37/174376437.db2.gz TXTKOQMIJKUQEV-QGZVFWFLSA-N 1 1 276.424 2.804 10 0 CFAEMO CCN(CC)c1nc[nH+]c(NC2CCCCC2)c1N ZINC000040708406 174379918 /nfs/dbraw/zinc/37/99/18/174379918.db2.gz MTLRRSPALGJXMZ-UHFFFAOYSA-N 1 1 263.389 2.650 10 0 CFAEMO C[C@@H]1CCCC[C@H]1[N@@H+](C)CC(=O)Nc1cc(N)ccc1F ZINC000042601225 174817213 /nfs/dbraw/zinc/81/72/13/174817213.db2.gz HKBSGJGFJMOTBD-IAQYHMDHSA-N 1 1 293.386 2.857 10 0 CFAEMO Clc1ccc(CC[NH2+][C@H]2CCCNC2)c(Cl)c1 ZINC000043324137 175006277 /nfs/dbraw/zinc/00/62/77/175006277.db2.gz ULXPCLFSBOHSES-LBPRGKRZSA-N 1 1 273.207 2.878 10 0 CFAEMO CC[C@H](N)[C@H](c1ccco1)[N@H+](CCOC)CC(C)C ZINC000043335921 175012297 /nfs/dbraw/zinc/01/22/97/175012297.db2.gz HDGFOWBLVLFTSR-DZGCQCFKSA-N 1 1 268.401 2.662 10 0 CFAEMO CC[C@H](N)[C@H](c1ccco1)[N@@H+](CCOC)CC(C)C ZINC000043335921 175012299 /nfs/dbraw/zinc/01/22/99/175012299.db2.gz HDGFOWBLVLFTSR-DZGCQCFKSA-N 1 1 268.401 2.662 10 0 CFAEMO CC[C@H](N)[C@H](c1ccccn1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000043338891 175013014 /nfs/dbraw/zinc/01/30/14/175013014.db2.gz CBQTUQBSLUDHHV-KNCOVGOOSA-N 1 1 261.413 2.838 10 0 CFAEMO CC[C@H](N)[C@H](c1ccccn1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000043338891 175013015 /nfs/dbraw/zinc/01/30/15/175013015.db2.gz CBQTUQBSLUDHHV-KNCOVGOOSA-N 1 1 261.413 2.838 10 0 CFAEMO C[C@@H](N)[C@H](c1ccccn1)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000043339528 175013921 /nfs/dbraw/zinc/01/39/21/175013921.db2.gz TUISOYPMKJNRKA-JYYAWHABSA-N 1 1 273.424 2.982 10 0 CFAEMO C[C@@H](N)[C@H](c1ccccn1)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000043339528 175013923 /nfs/dbraw/zinc/01/39/23/175013923.db2.gz TUISOYPMKJNRKA-JYYAWHABSA-N 1 1 273.424 2.982 10 0 CFAEMO C[C@H](N)[C@H](c1ccccn1)[N@H+](C)CC1CCCCC1 ZINC000043340209 175014717 /nfs/dbraw/zinc/01/47/17/175014717.db2.gz CWLXJCZIGWMJKG-XJKSGUPXSA-N 1 1 261.413 2.982 10 0 CFAEMO C[C@H](N)[C@H](c1ccccn1)[N@@H+](C)CC1CCCCC1 ZINC000043340209 175014720 /nfs/dbraw/zinc/01/47/20/175014720.db2.gz CWLXJCZIGWMJKG-XJKSGUPXSA-N 1 1 261.413 2.982 10 0 CFAEMO CC[C@@H](N)[C@@H](c1ccccn1)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043341032 175015519 /nfs/dbraw/zinc/01/55/19/175015519.db2.gz CXDMHOHIOLKEGY-LXZKKBNFSA-N 1 1 291.439 2.607 10 0 CFAEMO CC[C@@H](N)[C@@H](c1ccccn1)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043341032 175015521 /nfs/dbraw/zinc/01/55/21/175015521.db2.gz CXDMHOHIOLKEGY-LXZKKBNFSA-N 1 1 291.439 2.607 10 0 CFAEMO CC[C@@H](N)[C@H](c1ccncc1)[N@@H+](CC1CC1)C(C)C ZINC000043354690 175022756 /nfs/dbraw/zinc/02/27/56/175022756.db2.gz XIALQTHABFAVQM-CVEARBPZSA-N 1 1 261.413 2.980 10 0 CFAEMO CC[C@@H]([NH3+])[C@H](c1ccncc1)N(CC1CC1)C(C)C ZINC000043354690 175022758 /nfs/dbraw/zinc/02/27/58/175022758.db2.gz XIALQTHABFAVQM-CVEARBPZSA-N 1 1 261.413 2.980 10 0 CFAEMO Cc1ccc([C@H]([C@@H](C)N)[N@@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000043363825 175024551 /nfs/dbraw/zinc/02/45/51/175024551.db2.gz PGGFLDIYLQMBTG-OICBVUGWSA-N 1 1 250.386 2.954 10 0 CFAEMO Cc1ccc([C@H]([C@@H](C)[NH3+])N2C[C@H](C)C[C@H](C)C2)o1 ZINC000043363825 175024552 /nfs/dbraw/zinc/02/45/52/175024552.db2.gz PGGFLDIYLQMBTG-OICBVUGWSA-N 1 1 250.386 2.954 10 0 CFAEMO C[N@@H+]1CC[C@H](CNCc2ccc(Cl)c(F)c2)C1 ZINC000043389752 175033615 /nfs/dbraw/zinc/03/36/15/175033615.db2.gz ONATWUIBIKEKPV-LLVKDONJSA-N 1 1 256.752 2.520 10 0 CFAEMO C[N@H+]1CC[C@H](CNCc2ccc(Cl)c(F)c2)C1 ZINC000043389752 175033617 /nfs/dbraw/zinc/03/36/17/175033617.db2.gz ONATWUIBIKEKPV-LLVKDONJSA-N 1 1 256.752 2.520 10 0 CFAEMO CC(C)C[N@@H+](CCC(N)=S)Cc1ccccc1F ZINC000043418601 175038775 /nfs/dbraw/zinc/03/87/75/175038775.db2.gz YYKMBDPANKPORS-UHFFFAOYSA-N 1 1 268.401 2.960 10 0 CFAEMO Cc1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1N ZINC000043428111 175041112 /nfs/dbraw/zinc/04/11/12/175041112.db2.gz QJGZYNURWYLROJ-JKSUJKDBSA-N 1 1 260.381 2.721 10 0 CFAEMO CCOc1ccc2nc(S[C@@H]3CCC[NH2+]C3)[nH]c2c1 ZINC000043501629 175058623 /nfs/dbraw/zinc/05/86/23/175058623.db2.gz CHTTYGILZGDDTD-LLVKDONJSA-N 1 1 277.393 2.806 10 0 CFAEMO COCC[N@@H+](CC(C)C)C[C@@H](O)c1ccc(C)c(C)c1 ZINC000043511701 175060237 /nfs/dbraw/zinc/06/02/37/175060237.db2.gz KNNHHJVLPPKZQX-QGZVFWFLSA-N 1 1 279.424 2.941 10 0 CFAEMO CC[C@H](C(N)=S)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000043540241 175064111 /nfs/dbraw/zinc/06/41/11/175064111.db2.gz SBAFTWIXGGSKEV-MRVPVSSYSA-N 1 1 262.831 2.898 10 0 CFAEMO O[C@@H](Cc1[nH]cc[nH+]1)c1ccc(F)c(C(F)(F)F)c1 ZINC000043566975 175066949 /nfs/dbraw/zinc/06/69/49/175066949.db2.gz ODWGXDNULRGXMI-JTQLQIEISA-N 1 1 274.217 2.844 10 0 CFAEMO Cc1[nH+]ccn1-c1ccc(N)cc1Br ZINC000043597503 175077187 /nfs/dbraw/zinc/07/71/87/175077187.db2.gz UOISMQULZDGGLZ-UHFFFAOYSA-N 1 1 252.115 2.525 10 0 CFAEMO Cc1cccc2nc([C@@H]([NH3+])Cc3ccc(O)cc3)[nH]c21 ZINC000043601042 175077663 /nfs/dbraw/zinc/07/76/63/175077663.db2.gz PQMFGPRTGRFRRE-ZDUSSCGKSA-N 1 1 267.332 2.819 10 0 CFAEMO Fc1ccc2[nH]c([C@H]3[NH2+]CCc4ccccc43)nc2c1 ZINC000043600659 175077714 /nfs/dbraw/zinc/07/77/14/175077714.db2.gz FZYAKOJHKUWDOJ-HNNXBMFYSA-N 1 1 267.307 2.937 10 0 CFAEMO CCOC(=O)C[C@H](C)[N@@H+](CC)Cc1cccs1 ZINC000043623024 175080801 /nfs/dbraw/zinc/08/08/01/175080801.db2.gz XOPFORVLSIIOSK-NSHDSACASA-N 1 1 255.383 2.912 10 0 CFAEMO CCOC(=O)C[C@@H](C)[N@@H+](Cc1ccco1)C1CC1 ZINC000043623277 175081001 /nfs/dbraw/zinc/08/10/01/175081001.db2.gz KNSQWFTUZSXDRW-LLVKDONJSA-N 1 1 251.326 2.586 10 0 CFAEMO CN[C@@H](C[N@@H+]1CCCC[C@@H]1C)c1ccc(OC)cc1OC ZINC000043809757 175109672 /nfs/dbraw/zinc/10/96/72/175109672.db2.gz ZXUBIBCEVGXDDO-BBRMVZONSA-N 1 1 292.423 2.839 10 0 CFAEMO CN[C@@H](C[N@H+]1CCCC[C@@H]1C)c1ccc(OC)cc1OC ZINC000043809757 175109673 /nfs/dbraw/zinc/10/96/73/175109673.db2.gz ZXUBIBCEVGXDDO-BBRMVZONSA-N 1 1 292.423 2.839 10 0 CFAEMO CC[NH+](CC)[C@H](C)[C@H](NC)c1ccc(OC)cc1 ZINC000043809001 175109685 /nfs/dbraw/zinc/10/96/85/175109685.db2.gz XICVOPIKSGJCLK-DOMZBBRYSA-N 1 1 250.386 2.686 10 0 CFAEMO CCC[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)N1CCN(C)CC1 ZINC000043811026 175110175 /nfs/dbraw/zinc/11/01/75/175110175.db2.gz GUSXGEWZSFXLSW-FUHWJXTLSA-N 1 1 289.467 2.672 10 0 CFAEMO CN[C@@H]1c2ccccc2OC[C@@H]1[NH+]1CCCCCC1 ZINC000043812105 175110660 /nfs/dbraw/zinc/11/06/60/175110660.db2.gz AVXYJIAGVUYITG-GOEBONIOSA-N 1 1 260.381 2.584 10 0 CFAEMO CCCC[N@H+](CC)C[C@H](NC)c1ccc2c(c1)OCCO2 ZINC000043817461 175112260 /nfs/dbraw/zinc/11/22/60/175112260.db2.gz NZARCVRNNOGEDA-HNNXBMFYSA-N 1 1 292.423 2.840 10 0 CFAEMO CCCC[N@@H+](CC)C[C@H](NC)c1ccc2c(c1)OCCO2 ZINC000043817461 175112262 /nfs/dbraw/zinc/11/22/62/175112262.db2.gz NZARCVRNNOGEDA-HNNXBMFYSA-N 1 1 292.423 2.840 10 0 CFAEMO CCCC[N@H+](C)C[C@H](NCC)c1ccc2c(c1)OCCO2 ZINC000043816963 175112509 /nfs/dbraw/zinc/11/25/09/175112509.db2.gz BXOLWXFLZQJNLI-HNNXBMFYSA-N 1 1 292.423 2.840 10 0 CFAEMO CCCC[N@@H+](C)C[C@H](NCC)c1ccc2c(c1)OCCO2 ZINC000043816963 175112510 /nfs/dbraw/zinc/11/25/10/175112510.db2.gz BXOLWXFLZQJNLI-HNNXBMFYSA-N 1 1 292.423 2.840 10 0 CFAEMO CCN[C@H](C[N@H+](CC)C1CC1)c1cc(OC)ccc1OC ZINC000043821799 175114541 /nfs/dbraw/zinc/11/45/41/175114541.db2.gz SISHJTMUUVOBLD-MRXNPFEDSA-N 1 1 292.423 2.839 10 0 CFAEMO CCN[C@H](C[N@@H+](CC)C1CC1)c1cc(OC)ccc1OC ZINC000043821799 175114542 /nfs/dbraw/zinc/11/45/42/175114542.db2.gz SISHJTMUUVOBLD-MRXNPFEDSA-N 1 1 292.423 2.839 10 0 CFAEMO CN[C@@H](C[N@H+](C)CC(C)C)c1ccccc1OC ZINC000043886526 175116488 /nfs/dbraw/zinc/11/64/88/175116488.db2.gz IXJMKVKJDPADHJ-AWEZNQCLSA-N 1 1 250.386 2.544 10 0 CFAEMO CN[C@@H](C[N@@H+](C)CC(C)C)c1ccccc1OC ZINC000043886526 175116490 /nfs/dbraw/zinc/11/64/90/175116490.db2.gz IXJMKVKJDPADHJ-AWEZNQCLSA-N 1 1 250.386 2.544 10 0 CFAEMO CCC[N@H+](CC)C[C@@H](NC)c1ccc(OC)cc1 ZINC000043884343 175116883 /nfs/dbraw/zinc/11/68/83/175116883.db2.gz PUCUVKDBTRGQDF-OAHLLOKOSA-N 1 1 250.386 2.688 10 0 CFAEMO CCC[N@@H+](CC)C[C@@H](NC)c1ccc(OC)cc1 ZINC000043884343 175116885 /nfs/dbraw/zinc/11/68/85/175116885.db2.gz PUCUVKDBTRGQDF-OAHLLOKOSA-N 1 1 250.386 2.688 10 0 CFAEMO CCC[N@H+](CC)C[C@H](NCC)c1ccc2c(c1)OCCO2 ZINC000043884593 175117045 /nfs/dbraw/zinc/11/70/45/175117045.db2.gz SNSKQAJZOJJZCG-HNNXBMFYSA-N 1 1 292.423 2.840 10 0 CFAEMO CCC[N@@H+](CC)C[C@H](NCC)c1ccc2c(c1)OCCO2 ZINC000043884593 175117046 /nfs/dbraw/zinc/11/70/46/175117046.db2.gz SNSKQAJZOJJZCG-HNNXBMFYSA-N 1 1 292.423 2.840 10 0 CFAEMO CC[N@@H+](CC(C)C)C[C@@H](NC)c1ccc2c(c1)OCO2 ZINC000043887923 175117625 /nfs/dbraw/zinc/11/76/25/175117625.db2.gz DPUNNBGUZGFGSU-CQSZACIVSA-N 1 1 278.396 2.654 10 0 CFAEMO CCN(CC(C)C)C[C@@H]([NH2+]C)c1ccc2c(c1)OCO2 ZINC000043887923 175117627 /nfs/dbraw/zinc/11/76/27/175117627.db2.gz DPUNNBGUZGFGSU-CQSZACIVSA-N 1 1 278.396 2.654 10 0 CFAEMO CC[NH2+][C@@H]1CCCCCC[C@H]1N1CCC(OC)CC1 ZINC000043890183 175118180 /nfs/dbraw/zinc/11/81/80/175118180.db2.gz IICBOGBISMEWTA-HZPDHXFCSA-N 1 1 268.445 2.798 10 0 CFAEMO CC[C@H]([C@H](NC)c1ccccc1)[N@H+](C)C1CCOCC1 ZINC000043898283 175121056 /nfs/dbraw/zinc/12/10/56/175121056.db2.gz SPOGMQOEECFSBY-IAGOWNOFSA-N 1 1 276.424 2.837 10 0 CFAEMO CC[C@H]([C@H](NC)c1ccccc1)[N@@H+](C)C1CCOCC1 ZINC000043898283 175121057 /nfs/dbraw/zinc/12/10/57/175121057.db2.gz SPOGMQOEECFSBY-IAGOWNOFSA-N 1 1 276.424 2.837 10 0 CFAEMO CN[C@@H]1CCC2(C[C@@H]1[N@H+](C)C1CCCCCC1)OCCO2 ZINC000043899594 175122121 /nfs/dbraw/zinc/12/21/21/175122121.db2.gz BGLYWHBTLSIRBG-CVEARBPZSA-N 1 1 296.455 2.525 10 0 CFAEMO CN[C@@H]1CCC2(C[C@@H]1[N@@H+](C)C1CCCCCC1)OCCO2 ZINC000043899594 175122123 /nfs/dbraw/zinc/12/21/23/175122123.db2.gz BGLYWHBTLSIRBG-CVEARBPZSA-N 1 1 296.455 2.525 10 0 CFAEMO CN[C@@H](c1ccc(OC)cc1)[C@@H](C)[N@H+](C)CC1CC1 ZINC000043905388 175122554 /nfs/dbraw/zinc/12/25/54/175122554.db2.gz QZGYXODKPZAFCR-MLGOLLRUSA-N 1 1 262.397 2.686 10 0 CFAEMO CN[C@@H](c1ccc(OC)cc1)[C@@H](C)[N@@H+](C)CC1CC1 ZINC000043905388 175122555 /nfs/dbraw/zinc/12/25/55/175122555.db2.gz QZGYXODKPZAFCR-MLGOLLRUSA-N 1 1 262.397 2.686 10 0 CFAEMO CCN[C@@H]1c2ccccc2CC[C@H]1[N@H+](C)CC1CC1 ZINC000043906224 175122831 /nfs/dbraw/zinc/12/28/31/175122831.db2.gz UMCGNUOIXCQLHE-IAGOWNOFSA-N 1 1 258.409 2.994 10 0 CFAEMO CCN[C@@H]1c2ccccc2CC[C@H]1[N@@H+](C)CC1CC1 ZINC000043906224 175122833 /nfs/dbraw/zinc/12/28/33/175122833.db2.gz UMCGNUOIXCQLHE-IAGOWNOFSA-N 1 1 258.409 2.994 10 0 CFAEMO CN[C@H](C[N@H+](CCOC)CC(C)C)c1cccc(OC)c1 ZINC000043970267 175131299 /nfs/dbraw/zinc/13/12/99/175131299.db2.gz DEIUQHKPHVFEDY-QGZVFWFLSA-N 1 1 294.439 2.560 10 0 CFAEMO CN[C@H](C[N@@H+](CCOC)CC(C)C)c1cccc(OC)c1 ZINC000043970267 175131301 /nfs/dbraw/zinc/13/13/01/175131301.db2.gz DEIUQHKPHVFEDY-QGZVFWFLSA-N 1 1 294.439 2.560 10 0 CFAEMO CCN[C@H]1CCC2(C[C@H]1[N@H+](CC(C)C)C(C)C)OCCO2 ZINC000043973964 175132780 /nfs/dbraw/zinc/13/27/80/175132780.db2.gz DTLCKMBYPUTGBL-JKSUJKDBSA-N 1 1 298.471 2.627 10 0 CFAEMO CCN[C@H]1CCC2(C[C@H]1[N@@H+](CC(C)C)C(C)C)OCCO2 ZINC000043973964 175132781 /nfs/dbraw/zinc/13/27/81/175132781.db2.gz DTLCKMBYPUTGBL-JKSUJKDBSA-N 1 1 298.471 2.627 10 0 CFAEMO CN[C@H]1c2ccccc2OC[C@@H]1[N@H+](CC1CC1)C(C)C ZINC000043974458 175132988 /nfs/dbraw/zinc/13/29/88/175132988.db2.gz JYVMPRQTEXQNFV-RDJZCZTQSA-N 1 1 274.408 2.829 10 0 CFAEMO CN[C@H]1c2ccccc2OC[C@@H]1[N@@H+](CC1CC1)C(C)C ZINC000043974458 175132989 /nfs/dbraw/zinc/13/29/89/175132989.db2.gz JYVMPRQTEXQNFV-RDJZCZTQSA-N 1 1 274.408 2.829 10 0 CFAEMO Cc1ccc([C@@H](O)[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000044117249 175142071 /nfs/dbraw/zinc/14/20/71/175142071.db2.gz QGHNONIYWRTEIX-FQLMCAECSA-N 1 1 263.381 2.526 10 0 CFAEMO COc1ccccc1[C@@H](O)C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000044121675 175143294 /nfs/dbraw/zinc/14/32/94/175143294.db2.gz ZBAISMPPMLXKMZ-GUTXKFCHSA-N 1 1 263.381 2.992 10 0 CFAEMO CC[C@H](C)[N@@H+](C)Cc1cc([C@@H](C)O)ccc1OC ZINC000044126686 175144016 /nfs/dbraw/zinc/14/40/16/175144016.db2.gz PRWMFLYXFIZAPY-NWDGAFQWSA-N 1 1 251.370 2.979 10 0 CFAEMO CC[N@@H+](Cc1cc([C@@H](C)O)ccc1OC)C(C)C ZINC000044128461 175144259 /nfs/dbraw/zinc/14/42/59/175144259.db2.gz XCMLTYXEKGLVAO-GFCCVEGCSA-N 1 1 251.370 2.979 10 0 CFAEMO CCC[N@@H+](CC)C[C@H](O)c1cc(C)ccc1OC ZINC000044130544 175144621 /nfs/dbraw/zinc/14/46/21/175144621.db2.gz IHAKPZHUZKJILW-AWEZNQCLSA-N 1 1 251.370 2.769 10 0 CFAEMO Cc1cc(C)c([C@@H](O)C[NH+]2CCN(C(C)C)CC2)c(C)c1 ZINC000044132749 175144859 /nfs/dbraw/zinc/14/48/59/175144859.db2.gz SSBASZUDKWCGCY-KRWDZBQOSA-N 1 1 290.451 2.671 10 0 CFAEMO COc1ccc(C)cc1[C@H](O)C[N@@H+](C)CC(C)C ZINC000044129813 175144907 /nfs/dbraw/zinc/14/49/07/175144907.db2.gz XDRADVKAWCTTGU-CQSZACIVSA-N 1 1 251.370 2.625 10 0 CFAEMO CC(C)C(C(O)c1ccccc1)N1CCC([NH+](C)C)CC1 ZINC000044132977 175145289 /nfs/dbraw/zinc/14/52/89/175145289.db2.gz MJMNRBZGQLJEHH-MSOLQXFVSA-N 1 1 290.451 2.771 10 0 CFAEMO CC(C)C(C(O)c1ccccc1)[NH+]1CCC(N(C)C)CC1 ZINC000044132977 175145290 /nfs/dbraw/zinc/14/52/90/175145290.db2.gz MJMNRBZGQLJEHH-MSOLQXFVSA-N 1 1 290.451 2.771 10 0 CFAEMO C[N@@H+](Cc1cccnc1)[C@@H]1CCc2ccccc2[C@@H]1O ZINC000044133896 175145504 /nfs/dbraw/zinc/14/55/04/175145504.db2.gz LWLDLKXKZHIIPN-SJORKVTESA-N 1 1 268.360 2.562 10 0 CFAEMO COc1ccc([C@@H](O)C[N@@H+](C)[C@@H](C)C(C)C)cc1OC ZINC000044159739 175146923 /nfs/dbraw/zinc/14/69/23/175146923.db2.gz KAERDYAOMCFNKW-JSGCOSHPSA-N 1 1 281.396 2.714 10 0 CFAEMO CC(C)[C@@H]([C@@H](O)c1ccccc1)[N@H+]1CCOC(C)(C)C1 ZINC000044159846 175147058 /nfs/dbraw/zinc/14/70/58/175147058.db2.gz BDOTUAAVUUYOML-HOTGVXAUSA-N 1 1 277.408 2.855 10 0 CFAEMO C[N@@H+](CCc1ccncc1)[C@H]1CCc2ccccc2[C@@H]1O ZINC000044161053 175147165 /nfs/dbraw/zinc/14/71/65/175147165.db2.gz PSKBTNGFSNJZCN-ROUUACIJSA-N 1 1 282.387 2.604 10 0 CFAEMO Cc1ccc([C@@H](O)[C@H](C)[N@@H+](C)C[C@@H]2CCCO2)cc1 ZINC000044171148 175148503 /nfs/dbraw/zinc/14/85/03/175148503.db2.gz PZSLOXCFAHIYRY-BPUTZDHNSA-N 1 1 263.381 2.528 10 0 CFAEMO CCc1ccc([C@@H](O)[C@@H](C)[N@@H+](C)C[C@@H]2CCCO2)cc1 ZINC000044171227 175148647 /nfs/dbraw/zinc/14/86/47/175148647.db2.gz BACXJVVYSXCZKE-COXVUDFISA-N 1 1 277.408 2.782 10 0 CFAEMO CCOc1ccc([C@H](C)O)cc1C[N@@H+](CC)CCOC ZINC000044173357 175148958 /nfs/dbraw/zinc/14/89/58/175148958.db2.gz DLUYTLZFKHZUDM-ZDUSSCGKSA-N 1 1 281.396 2.607 10 0 CFAEMO C[N@H+](Cc1ccccc1F)[C@@H]1COc2ccccc2[C@@H]1O ZINC000044173674 175149002 /nfs/dbraw/zinc/14/90/02/175149002.db2.gz IRDIYJBYGDWCAV-WBVHZDCISA-N 1 1 287.334 2.752 10 0 CFAEMO C[N@@H+](Cc1ccccc1F)[C@@H]1COc2ccccc2[C@@H]1O ZINC000044173674 175149003 /nfs/dbraw/zinc/14/90/03/175149003.db2.gz IRDIYJBYGDWCAV-WBVHZDCISA-N 1 1 287.334 2.752 10 0 CFAEMO CC[C@@H]([C@H](O)c1ccccc1)N1CC[NH+](C(C)(C)C)CC1 ZINC000044176198 175149817 /nfs/dbraw/zinc/14/98/17/175149817.db2.gz AQNOIJOUNKBRIA-DLBZAZTESA-N 1 1 290.451 2.915 10 0 CFAEMO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cc([C@@H](C)O)ccc1OC ZINC000044176023 175150117 /nfs/dbraw/zinc/15/01/17/175150117.db2.gz CWYILVAPTCWSTL-WOSRLPQWSA-N 1 1 293.407 2.748 10 0 CFAEMO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc([C@@H](C)O)ccc1OC ZINC000044176023 175150118 /nfs/dbraw/zinc/15/01/18/175150118.db2.gz CWYILVAPTCWSTL-WOSRLPQWSA-N 1 1 293.407 2.748 10 0 CFAEMO C[C@H]([C@H](O)c1ccccc1)[NH+]1CCN(C(C)(C)C)CC1 ZINC000044176071 175150289 /nfs/dbraw/zinc/15/02/89/175150289.db2.gz CKGVBFRRQUISOP-ZBFHGGJFSA-N 1 1 276.424 2.525 10 0 CFAEMO CCc1[nH+]ccn1Cc1cc([C@H](C)O)ccc1OC ZINC000044189521 175153029 /nfs/dbraw/zinc/15/30/29/175153029.db2.gz DRKGJKRLSNRWSP-NSHDSACASA-N 1 1 260.337 2.556 10 0 CFAEMO CC(C)(C)[C@@H]([NH3+])c1noc(COc2ccccc2)n1 ZINC000044376457 175168559 /nfs/dbraw/zinc/16/85/59/175168559.db2.gz FFTXKLGLHJTDDG-LBPRGKRZSA-N 1 1 261.325 2.695 10 0 CFAEMO C[N@H+]1CCC[C@H](CNc2ccc(Br)cc2N)C1 ZINC000044535337 175198502 /nfs/dbraw/zinc/19/85/02/175198502.db2.gz GNDLQABCPGVJDZ-SNVBAGLBSA-N 1 1 298.228 2.785 10 0 CFAEMO C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1c(F)cccc1F ZINC000044535389 175198757 /nfs/dbraw/zinc/19/87/57/175198757.db2.gz QWNSFZWAKWIPMZ-NEPJUHHUSA-N 1 1 268.351 2.957 10 0 CFAEMO C[N@H+]1CCC[C@H](CNc2ccc(N)cc2Cl)C1 ZINC000044535314 175199258 /nfs/dbraw/zinc/19/92/58/175199258.db2.gz JDTXQMCDIGTJMY-SNVBAGLBSA-N 1 1 253.777 2.676 10 0 CFAEMO C[N@H+]1CCCC[C@H]1CNc1ccc(Br)cn1 ZINC000044561316 175205180 /nfs/dbraw/zinc/20/51/80/175205180.db2.gz WIXJJLCXNOFPAB-NSHDSACASA-N 1 1 284.201 2.740 10 0 CFAEMO CC(C)c1n[nH]c(=S)n1C[C@@H]1CCCC[N@H+]1C ZINC000044563435 175206481 /nfs/dbraw/zinc/20/64/81/175206481.db2.gz VVVZPPZYWQMOHH-JTQLQIEISA-N 1 1 254.403 2.548 10 0 CFAEMO C[N@H+]1CCCC[C@H]1CNc1ccc(N)c2cccnc12 ZINC000044563516 175206635 /nfs/dbraw/zinc/20/66/35/175206635.db2.gz PSSAEACXCJALTJ-LBPRGKRZSA-N 1 1 270.380 2.713 10 0 CFAEMO C[N@H+]1CCCC[C@H]1Cn1c(N)nc2cc(Cl)ccc21 ZINC000044563670 175207717 /nfs/dbraw/zinc/20/77/17/175207717.db2.gz DXRIYXVQQUITRT-NSHDSACASA-N 1 1 278.787 2.756 10 0 CFAEMO Fc1ccc2[nH]c([C@@H]3[NH2+]CCc4sccc43)nc2c1 ZINC000044592869 175214100 /nfs/dbraw/zinc/21/41/00/175214100.db2.gz IDQOQJLRMONPFS-CYBMUJFWSA-N 1 1 273.336 2.999 10 0 CFAEMO Cc1nc2cc(N[C@H]3CC[N@H+](C4CC4)C3)c(N)cc2s1 ZINC000044689406 175232865 /nfs/dbraw/zinc/23/28/65/175232865.db2.gz RHDHPNNRLOSMNG-JTQLQIEISA-N 1 1 288.420 2.836 10 0 CFAEMO Nc1cc(C(F)(F)F)ccc1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000044689155 175232873 /nfs/dbraw/zinc/23/28/73/175232873.db2.gz OKBAYGAIXNDDJT-JTQLQIEISA-N 1 1 285.313 2.936 10 0 CFAEMO Cc1cc(C[NH2+][C@@H]2CCCc3cc(O)ccc32)no1 ZINC000044747624 175242966 /nfs/dbraw/zinc/24/29/66/175242966.db2.gz SWBVCXQYZJMEKE-OAHLLOKOSA-N 1 1 258.321 2.856 10 0 CFAEMO CC[N@@H+](CC(N)=S)Cc1ccc(Br)s1 ZINC000045063309 175299190 /nfs/dbraw/zinc/29/91/90/175299190.db2.gz KSYFOKJSJIHGJL-UHFFFAOYSA-N 1 1 293.255 2.619 10 0 CFAEMO COc1cc(N)ccc1NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C ZINC000045064661 175299337 /nfs/dbraw/zinc/29/93/37/175299337.db2.gz ISUXTCFQGRXTHM-NSHDSACASA-N 1 1 293.411 2.582 10 0 CFAEMO CN[C@@H](C[N@H+](C)CC(C)(C)C)c1ccccc1OC ZINC000045072373 175301726 /nfs/dbraw/zinc/30/17/26/175301726.db2.gz PQXWYJZZRJRMGO-AWEZNQCLSA-N 1 1 264.413 2.934 10 0 CFAEMO CN[C@@H](C[N@@H+](C)CC(C)(C)C)c1ccccc1OC ZINC000045072373 175301728 /nfs/dbraw/zinc/30/17/28/175301728.db2.gz PQXWYJZZRJRMGO-AWEZNQCLSA-N 1 1 264.413 2.934 10 0 CFAEMO C[N@@H+](CCOc1ccccc1C(N)=S)CC(C)(C)C ZINC000045073858 175302406 /nfs/dbraw/zinc/30/24/06/175302406.db2.gz OJBNVFLHWYQYQL-UHFFFAOYSA-N 1 1 280.437 2.678 10 0 CFAEMO COc1ccc(F)cc1C(=O)C[N@H+](C)CC(C)(C)C ZINC000045084643 175303790 /nfs/dbraw/zinc/30/37/90/175303790.db2.gz GKSKAVLAIFAPDW-UHFFFAOYSA-N 1 1 267.344 2.995 10 0 CFAEMO COc1ccc(F)cc1C(=O)C[N@@H+](C)CC(C)(C)C ZINC000045084643 175303791 /nfs/dbraw/zinc/30/37/91/175303791.db2.gz GKSKAVLAIFAPDW-UHFFFAOYSA-N 1 1 267.344 2.995 10 0 CFAEMO COc1ccccc1[C@H](O)C[N@@H+](C)CC(C)(C)C ZINC000045087329 175304112 /nfs/dbraw/zinc/30/41/12/175304112.db2.gz OMJJYYPCRAKZOF-CYBMUJFWSA-N 1 1 251.370 2.707 10 0 CFAEMO CC(C)[N@H+]1CC[C@@H](CNc2ccc(N)c3ncccc23)C1 ZINC000045118679 175311405 /nfs/dbraw/zinc/31/14/05/175311405.db2.gz DTSMIIMKSXNOBO-ZDUSSCGKSA-N 1 1 284.407 2.959 10 0 CFAEMO CCN(CC)CC[NH2+][C@H](C)c1c(C)nn(CC)c1C ZINC000045167443 175319482 /nfs/dbraw/zinc/31/94/82/175319482.db2.gz JSRFYXKXNMBTHK-GFCCVEGCSA-N 1 1 266.433 2.512 10 0 CFAEMO CCOC(=O)[C@](C)(CC[N@H+]1CCCC[C@@H]1CC)NC1CC1 ZINC000045266020 175339119 /nfs/dbraw/zinc/33/91/19/175339119.db2.gz ZXUNXTSUKNZTCP-RDJZCZTQSA-N 1 1 296.455 2.715 10 0 CFAEMO CCC[N@@H+](CC[C@@](C)(NC1CC1)C(=O)OCC)C(C)C ZINC000045266989 175339295 /nfs/dbraw/zinc/33/92/95/175339295.db2.gz JNQIYIRTVPUDEC-MRXNPFEDSA-N 1 1 284.444 2.571 10 0 CFAEMO CCCCC[N@@H+](C)CC[C@@](C)(NCCC)C(=O)OCC ZINC000045268252 175341079 /nfs/dbraw/zinc/34/10/79/175341079.db2.gz YNMOXBSDZUPJIF-MRXNPFEDSA-N 1 1 286.460 2.820 10 0 CFAEMO CCCN[C@](C)(C[N@@H+](C)C1CCCCCC1)C(=O)OCC ZINC000045271921 175342785 /nfs/dbraw/zinc/34/27/85/175342785.db2.gz WKKBFCZZAIHXTO-QGZVFWFLSA-N 1 1 298.471 2.962 10 0 CFAEMO CCC[NH2+][C@](C)(CC[N@@H+](C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000045274777 175345299 /nfs/dbraw/zinc/34/52/99/175345299.db2.gz MJNHFAZDKQVIQG-SWLSCSKDSA-N 1 1 272.433 2.586 10 0 CFAEMO CCCN[C@@](C)(C[N@H+]1CCC[C@@H]1C1CCCC1)C(=O)OC ZINC000045277375 175347386 /nfs/dbraw/zinc/34/73/86/175347386.db2.gz UFZOSIZTHGSYSD-WBVHZDCISA-N 1 1 296.455 2.572 10 0 CFAEMO CCC(CC)C[N@@H+](CC)C[C@@](C)(NC(C)C)C(=O)OC ZINC000045277799 175347400 /nfs/dbraw/zinc/34/74/00/175347400.db2.gz DXXMPONUTQWJIW-MRXNPFEDSA-N 1 1 286.460 2.674 10 0 CFAEMO CC[NH2+][C@@](C)(CC[N@@H+](CC)CC(CC)CC)C(=O)[O-] ZINC000045277818 175347815 /nfs/dbraw/zinc/34/78/15/175347815.db2.gz PROATYVOBJMAAY-HNNXBMFYSA-N 1 1 272.433 2.587 10 0 CFAEMO CCOC(=O)[C@@](C)(CC[N@@H+](CC)CC(CC)CC)NC ZINC000045277841 175348072 /nfs/dbraw/zinc/34/80/72/175348072.db2.gz XOZHQTQTQLMFMY-MRXNPFEDSA-N 1 1 286.460 2.676 10 0 CFAEMO CCCCC[N@@H+](CC[C@](C)([NH2+]CC)C(=O)[O-])C(C)C ZINC000045278601 175348226 /nfs/dbraw/zinc/34/82/26/175348226.db2.gz GQGCNZTYPGLWQF-HNNXBMFYSA-N 1 1 272.433 2.730 10 0 CFAEMO CCN[C@@](C)(CC[N@@H+](CC)CC(CC)CC)C(=O)OC ZINC000045277845 175348795 /nfs/dbraw/zinc/34/87/95/175348795.db2.gz ZMWBTJPGQLRHMH-INIZCTEOSA-N 1 1 286.460 2.676 10 0 CFAEMO CCN[C@@](C)(CC[N@@H+](C)[C@@H](C)CC(C)C)C(=O)OCC ZINC000045280019 175350050 /nfs/dbraw/zinc/35/00/50/175350050.db2.gz VBRMFUGWRCJEJF-HOCLYGCPSA-N 1 1 286.460 2.674 10 0 CFAEMO COC(=O)[C@@](C)(CC[N@@H+](C)C1CCC(C)CC1)NC(C)C ZINC000045280623 175350198 /nfs/dbraw/zinc/35/01/98/175350198.db2.gz HRPILFAPWUJGQT-VMBOVVBDSA-N 1 1 298.471 2.817 10 0 CFAEMO CCN[C@](C)(CC[N@@H+](C)C1CCC(C)CC1)C(=O)OCC ZINC000045280611 175350242 /nfs/dbraw/zinc/35/02/42/175350242.db2.gz RHDBPDLANDESNW-VMBOVVBDSA-N 1 1 298.471 2.818 10 0 CFAEMO CC[NH2+][C@@](C)(CC[N@@H+](C)C1CCC(CC)CC1)C(=O)[O-] ZINC000045281130 175352273 /nfs/dbraw/zinc/35/22/73/175352273.db2.gz MEEIEANKRDXBRU-XUJLQICISA-N 1 1 284.444 2.730 10 0 CFAEMO CCCC[N@@H+](CC[C@](C)([NH2+]CC)C(=O)[O-])[C@@H](C)CC ZINC000045282597 175352675 /nfs/dbraw/zinc/35/26/75/175352675.db2.gz UUGFSSRIVRULKZ-ZFWWWQNUSA-N 1 1 272.433 2.730 10 0 CFAEMO CCN[C@](C)(CC[N@@H+](C)CC1CCCCC1)C(=O)OCC ZINC000045281663 175352723 /nfs/dbraw/zinc/35/27/23/175352723.db2.gz OUZSGFYCXIHJKR-QGZVFWFLSA-N 1 1 298.471 2.820 10 0 CFAEMO CCOC(=O)[C@@](C)(C[N@@H+](C)CC1CCCCC1)NC(C)C ZINC000045281585 175353126 /nfs/dbraw/zinc/35/31/26/175353126.db2.gz AWQYCXNPQUHUDU-QGZVFWFLSA-N 1 1 298.471 2.818 10 0 CFAEMO CC[NH2+][C@](C)(CCC[N@@H+](CC)C1CCCCC1)C(=O)[O-] ZINC000045372352 175364824 /nfs/dbraw/zinc/36/48/24/175364824.db2.gz CBDTXHVPMSMMBK-MRXNPFEDSA-N 1 1 284.444 2.874 10 0 CFAEMO CCN[C@@](C)(CCCC[N@@H+]1[C@H](C)CCC[C@@H]1C)C(=O)OC ZINC000045379606 175368522 /nfs/dbraw/zinc/36/85/22/175368522.db2.gz FAJCZFDLBQWQBB-UXLLHSPISA-N 1 1 298.471 2.961 10 0 CFAEMO COC(=O)[C@@](C)(CCCC[N@@H+](C)CC(C)C)NC(C)C ZINC000045380897 175369843 /nfs/dbraw/zinc/36/98/43/175369843.db2.gz GEQILWKSCMFWBR-MRXNPFEDSA-N 1 1 286.460 2.674 10 0 CFAEMO CCN[C@@](C)(CCCC[N@@H+](C)[C@@H](C)CC)C(=O)OCC ZINC000045381291 175369868 /nfs/dbraw/zinc/36/98/68/175369868.db2.gz BORMXJSZHJYZKB-HOCLYGCPSA-N 1 1 286.460 2.818 10 0 CFAEMO CCC[NH2+][C@](C)(CCC[N@@H+](CC)CC(C)C)C(=O)[O-] ZINC000045381767 175369999 /nfs/dbraw/zinc/36/99/99/175369999.db2.gz KNJNFKWBIFQSIP-OAHLLOKOSA-N 1 1 272.433 2.587 10 0 CFAEMO CCOC(=O)[C@](C)(CCCC[N@@H+](CC)CC(C)C)NC ZINC000045381686 175370107 /nfs/dbraw/zinc/37/01/07/175370107.db2.gz MSYQNUZCKNQEOZ-INIZCTEOSA-N 1 1 286.460 2.676 10 0 CFAEMO CCN[C@@](C)(CCCC[N@H+]1CCCC[C@@H]1CC)C(=O)OC ZINC000045384149 175371063 /nfs/dbraw/zinc/37/10/63/175371063.db2.gz JOYDVHXUTSGFQY-RDJZCZTQSA-N 1 1 298.471 2.962 10 0 CFAEMO CCN[C@](C)(CCCC[N@@H+](C)C1CCCC1)C(=O)OC ZINC000045384691 175371766 /nfs/dbraw/zinc/37/17/66/175371766.db2.gz ADCYDYRBCZOQCW-MRXNPFEDSA-N 1 1 284.444 2.572 10 0 CFAEMO CCOC(=O)[C@](C)(CCCC[N@@H+](C)C1CCCC1)NC ZINC000045384677 175371799 /nfs/dbraw/zinc/37/17/99/175371799.db2.gz QKCBWWREMZSLJR-INIZCTEOSA-N 1 1 284.444 2.572 10 0 CFAEMO CCC[N@@H+](CCC[C@@](C)(NCC)C(=O)OCC)C(C)C ZINC000045386022 175372412 /nfs/dbraw/zinc/37/24/12/175372412.db2.gz RWDPKYGIPZNXCL-MRXNPFEDSA-N 1 1 286.460 2.818 10 0 CFAEMO CCC[N@@H+](CCCC[C@](C)(NC1CC1)C(=O)OC)C1CC1 ZINC000045387493 175373110 /nfs/dbraw/zinc/37/31/10/175373110.db2.gz MGAGIZAOLYVFTN-KRWDZBQOSA-N 1 1 296.455 2.715 10 0 CFAEMO CCN[C@](C)(CCCC[N@@H+](CC)C1CC1)C(=O)OCC ZINC000045386377 175373289 /nfs/dbraw/zinc/37/32/89/175373289.db2.gz RGDQKHVYQWRBGE-MRXNPFEDSA-N 1 1 284.444 2.572 10 0 CFAEMO CCOC(=O)[C@@](C)(CCCC[N@@H+](CC)C1CC1)NC(C)C ZINC000045386422 175373343 /nfs/dbraw/zinc/37/33/43/175373343.db2.gz KJUYIAJZYKVIGY-QGZVFWFLSA-N 1 1 298.471 2.961 10 0 CFAEMO CCCCC[N@@H+](C)CCC[C@@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045388073 175373674 /nfs/dbraw/zinc/37/36/74/175373674.db2.gz NQZQASGKMADYOS-OAHLLOKOSA-N 1 1 272.433 2.730 10 0 CFAEMO CCC[NH2+][C@@](C)(CCCC[N@@H+](C)C[C@@H](C)CC)C(=O)[O-] ZINC000045388435 175373849 /nfs/dbraw/zinc/37/38/49/175373849.db2.gz OFTJABRUMRGNEF-HOCLYGCPSA-N 1 1 286.460 2.978 10 0 CFAEMO CCN[C@@](C)(CCC[N@@H+](C)C[C@@H](C)CC)C(=O)OCC ZINC000045388668 175374259 /nfs/dbraw/zinc/37/42/59/175374259.db2.gz VIENOSGYQOLFDM-HOCLYGCPSA-N 1 1 286.460 2.676 10 0 CFAEMO CC[NH2+][C@](C)(CCCC[N@@H+](C)[C@@H](C)C(C)C)C(=O)[O-] ZINC000045391902 175375749 /nfs/dbraw/zinc/37/57/49/175375749.db2.gz ROKRKDBKAGEJTE-DZGCQCFKSA-N 1 1 272.433 2.586 10 0 CFAEMO CCC[NH2+][C@@](C)(CCCC[N@@H+](C)[C@@H](C)C(C)C)C(=O)[O-] ZINC000045391906 175375752 /nfs/dbraw/zinc/37/57/52/175375752.db2.gz HBEUJQMOMYFQHO-HOCLYGCPSA-N 1 1 286.460 2.976 10 0 CFAEMO CCOC(=O)[C@@H](C[N@@H+](C)C1CCCCCC1)NC(C)C ZINC000045419100 175377058 /nfs/dbraw/zinc/37/70/58/175377058.db2.gz WLXHCKWFODTRGY-OAHLLOKOSA-N 1 1 284.444 2.571 10 0 CFAEMO CCOC(=O)[C@H](C[N@@H+](C)C1CCCCCC1)NC(C)C ZINC000045419102 175377569 /nfs/dbraw/zinc/37/75/69/175377569.db2.gz WLXHCKWFODTRGY-HNNXBMFYSA-N 1 1 284.444 2.571 10 0 CFAEMO CC[NH2+][C@](C)(CCC[N@@H+](C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000045421006 175380266 /nfs/dbraw/zinc/38/02/66/175380266.db2.gz VPKRSBHUDVOZNY-SWLSCSKDSA-N 1 1 272.433 2.586 10 0 CFAEMO [NH3+]Cc1nc(-c2cc(Br)cs2)co1 ZINC000071584941 176209996 /nfs/dbraw/zinc/20/99/96/176209996.db2.gz HIXANXNNKMPTBJ-UHFFFAOYSA-N 1 1 259.128 2.624 10 0 CFAEMO C[NH2+]C1CCC(c2nc3ccc(OC)cc3[nH]2)CC1 ZINC000071791081 176262828 /nfs/dbraw/zinc/26/28/28/176262828.db2.gz UKJICWQPJVRIBS-UHFFFAOYSA-N 1 1 259.353 2.817 10 0 CFAEMO Cc1ccsc1CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000072324645 176369858 /nfs/dbraw/zinc/36/98/58/176369858.db2.gz HBMBWBRSPONVQT-CHWSQXEVSA-N 1 1 250.411 2.725 10 0 CFAEMO CCc1cc([C@H](CN)[N@H+](C)C(C)C)ccc1OC ZINC000077432339 177268085 /nfs/dbraw/zinc/26/80/85/177268085.db2.gz IJFBNRATCINFDG-AWEZNQCLSA-N 1 1 250.386 2.598 10 0 CFAEMO CCc1cc([C@H](CN)[N@@H+](C)C(C)C)ccc1OC ZINC000077432339 177268086 /nfs/dbraw/zinc/26/80/86/177268086.db2.gz IJFBNRATCINFDG-AWEZNQCLSA-N 1 1 250.386 2.598 10 0 CFAEMO CC(C)(C)OC[C@H](O)C[N@@H+](Cc1ccccc1F)C1CC1 ZINC000078778568 177386871 /nfs/dbraw/zinc/38/68/71/177386871.db2.gz SZKXSXVBEPWMCU-OAHLLOKOSA-N 1 1 295.398 2.966 10 0 CFAEMO CCCc1ccc(C[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000194368824 270244752 /nfs/dbraw/zinc/24/47/52/270244752.db2.gz KQJWDHHRCZXKJT-MRXNPFEDSA-N 1 1 274.408 2.692 10 0 CFAEMO CCCCS[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000194665498 270246223 /nfs/dbraw/zinc/24/62/23/270246223.db2.gz OKBGSJDWBAIFNX-CHWSQXEVSA-N 1 1 272.458 2.509 10 0 CFAEMO CCCCOc1ccc(CNC[C@@H]2CC[NH2+]C2)cc1 ZINC000398325186 270321935 /nfs/dbraw/zinc/32/19/35/270321935.db2.gz FDRKKRJKRGTDRC-OAHLLOKOSA-N 1 1 262.397 2.565 10 0 CFAEMO c1ccc(COc2cccc(CNC[C@H]3CC[NH2+]C3)c2)cc1 ZINC000398325722 270322183 /nfs/dbraw/zinc/32/21/83/270322183.db2.gz FGYYGNZCWUUWPV-SFHVURJKSA-N 1 1 296.414 2.965 10 0 CFAEMO C[C@@H]1C[C@@H](CO)C[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000398607882 270323583 /nfs/dbraw/zinc/32/35/83/270323583.db2.gz DUKYAWYRQPMFQK-JHJVBQTASA-N 1 1 261.356 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VSGYXJJKSYIAJF-CABCVRRESA-N 1 1 268.445 2.750 10 0 CFAEMO C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)Nc1ccc(F)cc1F)C2 ZINC000000135956 371540399 /nfs/dbraw/zinc/54/03/99/371540399.db2.gz BXNRARWHAFNOJQ-YOGCLGLASA-N 1 1 295.333 2.712 10 0 CFAEMO CCOC(=O)[C@@]1(c2ccccc2)CCC[N@@H+](C)C[C@@H]1C ZINC000004626659 371869756 /nfs/dbraw/zinc/86/97/56/371869756.db2.gz BOSULDNQDJLKKL-YOEHRIQHSA-N 1 1 275.392 2.849 10 0 in-man CFAEMO CC(C)Cc1ccc([C@@H](C)C(=O)N[C@H]2CC[N@@H+](C)C2)cc1 ZINC000013646147 372037343 /nfs/dbraw/zinc/03/73/43/372037343.db2.gz LWNZBPLGOUVEMD-PBHICJAKSA-N 1 1 288.435 2.809 10 0 CFAEMO COc1cccc2ccc(C[N@@H+](C)CCn3ccnc3)nc21 ZINC000019144880 372148574 /nfs/dbraw/zinc/14/85/74/372148574.db2.gz NMYKXRSCLROWTK-UHFFFAOYSA-N 1 1 296.374 2.572 10 0 CFAEMO CCCN1CCC([NH2+][C@@H]2CCOc3ccccc32)CC1 ZINC000020189991 372234266 /nfs/dbraw/zinc/23/42/66/372234266.db2.gz HGSCDIWPUMFZGS-MRXNPFEDSA-N 1 1 274.408 2.974 10 0 CFAEMO FC(F)(F)c1cccc(CN2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000023249542 372257056 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C[N@@H+](CC(=O)[O-])[C@H]1CCC[NH+](CCCC(C)(C)C)CC1 ZINC000263568463 383682940 /nfs/dbraw/zinc/68/29/40/383682940.db2.gz HAHIKRPDPWIKEO-AWEZNQCLSA-N 1 1 284.444 2.684 10 0 CFAEMO C[NH+](CC(=O)[O-])[C@H]1CCC[N@H+](CCCC(C)(C)C)CC1 ZINC000263568463 383682944 /nfs/dbraw/zinc/68/29/44/383682944.db2.gz HAHIKRPDPWIKEO-AWEZNQCLSA-N 1 1 284.444 2.684 10 0 CFAEMO C[NH+](CC(=O)[O-])[C@H]1CCC[N@@H+](CCCC(C)(C)C)CC1 ZINC000263568463 383682947 /nfs/dbraw/zinc/68/29/47/383682947.db2.gz HAHIKRPDPWIKEO-AWEZNQCLSA-N 1 1 284.444 2.684 10 0 CFAEMO COc1ccc([C@H](CN)[N@H+]2C[C@H](C)C[C@H](C)C2)c(OC)c1 ZINC000033431095 372493976 /nfs/dbraw/zinc/49/39/76/372493976.db2.gz TWCHKHWLCCKKNI-ZENOOKHLSA-N 1 1 292.423 2.682 10 0 CFAEMO COc1ccc([C@H](CN)[N@@H+]2C[C@H](C)C[C@H](C)C2)c(OC)c1 ZINC000033431095 372493984 /nfs/dbraw/zinc/49/39/84/372493984.db2.gz TWCHKHWLCCKKNI-ZENOOKHLSA-N 1 1 292.423 2.682 10 0 CFAEMO Clc1ccc(CCCC[NH+]2CCNCC2)cc1 ZINC000034225154 372506319 /nfs/dbraw/zinc/50/63/19/372506319.db2.gz 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CC[C@H](C)[N@@H+](C)CC(=O)Nc1cc(N)ccc1Cl ZINC000037273415 173085491 /nfs/dbraw/zinc/08/54/91/173085491.db2.gz WUVKTCSMGALYJZ-VIFPVBQESA-N 1 1 269.776 2.591 10 0 CFAEMO COC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000037283270 173091226 /nfs/dbraw/zinc/09/12/26/173091226.db2.gz GHIZZGFOXICSQQ-CVEARBPZSA-N 1 1 275.392 2.721 10 0 CFAEMO CC(C)[C@H]([NH2+][C@@H](C)c1nncn1C)c1cccs1 ZINC000037293680 173097610 /nfs/dbraw/zinc/09/76/10/173097610.db2.gz RFONPWVELQMTER-JQWIXIFHSA-N 1 1 264.398 2.925 10 0 CFAEMO COc1ccccc1N(CCC[NH3+])c1ccncc1 ZINC000037298321 173102437 /nfs/dbraw/zinc/10/24/37/173102437.db2.gz HBGHQAKINGLZOZ-UHFFFAOYSA-N 1 1 257.337 2.577 10 0 CFAEMO CC[C@@H](C)C[N@H+](C)CC(=O)c1ccc(OC)c(F)c1 ZINC000037337145 173137302 /nfs/dbraw/zinc/13/73/02/173137302.db2.gz HVUPUSARPFLDRP-LLVKDONJSA-N 1 1 267.344 2.995 10 0 CFAEMO CC[C@@H](C)C[N@@H+](C)CC(=O)c1ccc(OC)c(F)c1 ZINC000037337145 173137305 /nfs/dbraw/zinc/13/73/05/173137305.db2.gz HVUPUSARPFLDRP-LLVKDONJSA-N 1 1 267.344 2.995 10 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Cc1ncc(C[NH2+][C@@H](CN(C)C)c2ccccc2)s1 ZINC000037505481 173240820 /nfs/dbraw/zinc/24/08/20/173240820.db2.gz YTMAZOVYDMDKPP-HNNXBMFYSA-N 1 1 275.421 2.844 10 0 CFAEMO CCc1cccc2c(CN3CCC([NH3+])CC3)c[nH]c21 ZINC000037536392 173255109 /nfs/dbraw/zinc/25/51/09/173255109.db2.gz YJZLQHMFYMAJQS-UHFFFAOYSA-N 1 1 257.381 2.653 10 0 CFAEMO C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@@H]([NH+](C)CC(=O)[O-])CC1 ZINC000263486595 287283294 /nfs/dbraw/zinc/28/32/94/287283294.db2.gz HNBNWKVAYKVNOJ-BZUAXINKSA-N 1 1 296.455 2.684 10 0 CFAEMO C[C@@H]1CCCC[C@@H]1C[NH+]1CCC[C@@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000263486595 287283298 /nfs/dbraw/zinc/28/32/98/287283298.db2.gz HNBNWKVAYKVNOJ-BZUAXINKSA-N 1 1 296.455 2.684 10 0 CFAEMO C[C@@H]1CCCC[C@@H]1C[NH+]1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000263486595 287283300 /nfs/dbraw/zinc/28/33/00/287283300.db2.gz HNBNWKVAYKVNOJ-BZUAXINKSA-N 1 1 296.455 2.684 10 0 CFAEMO C[C@@H]1C[N@@H+](C[C@H]2CCCCC2(F)F)C[C@]1(C)CO ZINC000662145574 414430825 /nfs/dbraw/zinc/43/08/25/414430825.db2.gz YFQOWTUFJCIWBG-JHJVBQTASA-N 1 1 261.356 2.762 10 0 CFAEMO CC[C@@H]([NH2+][C@@H]1CCNC1=O)c1ccc(Cl)cc1Cl ZINC000656677221 414633204 /nfs/dbraw/zinc/63/32/04/414633204.db2.gz SCAZEACDBZDSFC-VXGBXAGGSA-N 1 1 287.190 2.923 10 0 CFAEMO C[N@H+]1CCCC[C@@H]1CCN1CCc2c(N)cccc2C1 ZINC000038032880 174029751 /nfs/dbraw/zinc/02/97/51/174029751.db2.gz HDDLXWWKRJAGFT-OAHLLOKOSA-N 1 1 273.424 2.501 10 0 CFAEMO C[C@H](C[NH2+][C@@H](C)c1nc2ccccc2s1)N(C)C ZINC000038088288 174101504 /nfs/dbraw/zinc/10/15/04/174101504.db2.gz CCHXBRCJWNFFDD-MNOVXSKESA-N 1 1 263.410 2.897 10 0 CFAEMO CC[N@H+]1CC[C@@H](CNCc2nc3ccccc3s2)C1 ZINC000038090436 174104142 /nfs/dbraw/zinc/10/41/42/174104142.db2.gz QQNGQFZVUXQVRR-LBPRGKRZSA-N 1 1 275.421 2.728 10 0 CFAEMO OC[C@@H]([NH2+]Cc1cccs1)c1ccccc1F ZINC000038123870 174130241 /nfs/dbraw/zinc/13/02/41/174130241.db2.gz QXFFATUUPBMSNC-CYBMUJFWSA-N 1 1 251.326 2.710 10 0 CFAEMO C[C@@H]1C[C@H](C)C[N@H+]([C@H](CN)c2ccccc2F)C1 ZINC000039789056 174173094 /nfs/dbraw/zinc/17/30/94/174173094.db2.gz TUWRRJGCITWUKF-TYNCELHUSA-N 1 1 250.361 2.803 10 0 CFAEMO C[C@@H]1C[C@H](C)C[N@@H+]([C@H](CN)c2ccccc2F)C1 ZINC000039789056 174173095 /nfs/dbraw/zinc/17/30/95/174173095.db2.gz TUWRRJGCITWUKF-TYNCELHUSA-N 1 1 250.361 2.803 10 0 CFAEMO O[C@H](Cc1[nH]cc[nH+]1)c1ccc(Cl)cc1Cl ZINC000040261363 174217090 /nfs/dbraw/zinc/21/70/90/174217090.db2.gz FAEIMRCVAUYBRH-SNVBAGLBSA-N 1 1 257.120 2.993 10 0 CFAEMO CC[N@@H+]1CCC[C@H](NCc2ccc(Br)o2)C1 ZINC000040502113 174298414 /nfs/dbraw/zinc/29/84/14/174298414.db2.gz QGWWDMMZQUVUSL-JTQLQIEISA-N 1 1 287.201 2.616 10 0 CFAEMO CC[N@H+]1CCC[C@H](NCc2ccc(Br)o2)C1 ZINC000040502113 174298415 /nfs/dbraw/zinc/29/84/15/174298415.db2.gz QGWWDMMZQUVUSL-JTQLQIEISA-N 1 1 287.201 2.616 10 0 CFAEMO CC[N@H+]1CCC[C@@H](Nc2ncnc3sccc32)C1 ZINC000040503272 174299889 /nfs/dbraw/zinc/29/98/89/174299889.db2.gz JGZUKVLQMBMMNI-SNVBAGLBSA-N 1 1 262.382 2.588 10 0 CFAEMO Cc1cc(C)c(C(N)=S)c(N(C)Cc2ccccc2)[nH+]1 ZINC000040510032 174304116 /nfs/dbraw/zinc/30/41/16/174304116.db2.gz NXUVFYSZUHAUOF-UHFFFAOYSA-N 1 1 285.416 2.969 10 0 CFAEMO CCN(CC(C)C)c1[nH+]c(C)cc(C)c1C(N)=S ZINC000040510237 174304234 /nfs/dbraw/zinc/30/42/34/174304234.db2.gz XRGHSFVSBFOOPW-UHFFFAOYSA-N 1 1 265.426 2.815 10 0 CFAEMO Cc1nc(C)c([C@H](C)[NH2+][C@H](C)c2cc[nH]n2)s1 ZINC000040518377 174307965 /nfs/dbraw/zinc/30/79/65/174307965.db2.gz YWJVYXYOVMGAGA-SFYZADRCSA-N 1 1 250.371 2.895 10 0 CFAEMO Cc1ncsc1[C@H](C)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000040623438 174355735 /nfs/dbraw/zinc/35/57/35/174355735.db2.gz AMDMFDDXZLTGTQ-AAEUAGOBSA-N 1 1 267.442 2.832 10 0 CFAEMO CC(C)Oc1cccc([C@@H](CN)[N@H+](C)[C@@H]2CCSC2)c1 ZINC000040641119 174364528 /nfs/dbraw/zinc/36/45/28/174364528.db2.gz VZJVPACDJVKQGU-GDBMZVCRSA-N 1 1 294.464 2.911 10 0 CFAEMO CC(C)Oc1cccc([C@@H](CN)[N@@H+](C)[C@@H]2CCSC2)c1 ZINC000040641119 174364530 /nfs/dbraw/zinc/36/45/30/174364530.db2.gz VZJVPACDJVKQGU-GDBMZVCRSA-N 1 1 294.464 2.911 10 0 CFAEMO c1ccc(CC[N@H+]2CC[C@@H](Nc3cccnc3)C2)cc1 ZINC000040671116 174368995 /nfs/dbraw/zinc/36/89/95/174368995.db2.gz CWHSEEMJRABIOI-QGZVFWFLSA-N 1 1 267.376 2.811 10 0 CFAEMO C[N@H+]1CCC[C@H](Nc2ccc(C(F)(F)F)cn2)C1 ZINC000040673533 174372480 /nfs/dbraw/zinc/37/24/80/174372480.db2.gz ZIUUHXRLZLUYPK-JTQLQIEISA-N 1 1 259.275 2.607 10 0 CFAEMO CCOC1CC[NH+]([C@H](C)C(=O)c2ccccc2)CC1 ZINC000040678541 174374623 /nfs/dbraw/zinc/37/46/23/174374623.db2.gz RULMEJYEZJTMSN-CYBMUJFWSA-N 1 1 261.365 2.759 10 0 CFAEMO CCOC1CCN([C@@](C)(C[NH3+])CCC(C)C)CC1 ZINC000040678757 174374963 /nfs/dbraw/zinc/37/49/63/174374963.db2.gz MGGFEFGYZFBRCP-OAHLLOKOSA-N 1 1 256.434 2.641 10 0 CFAEMO CC(C)CCNc1[nH+]cnc(NC(C)(C)C)c1N ZINC000040680677 174375454 /nfs/dbraw/zinc/37/54/54/174375454.db2.gz AMAKTLFJOHJYHK-UHFFFAOYSA-N 1 1 251.378 2.727 10 0 CFAEMO CC(C)CCNc1nc[nH+]c(NC(C)(C)C)c1N ZINC000040680677 174375455 /nfs/dbraw/zinc/37/54/55/174375455.db2.gz AMAKTLFJOHJYHK-UHFFFAOYSA-N 1 1 251.378 2.727 10 0 CFAEMO CCOC1CC[NH+]([C@@H](CN)c2sccc2C)CC1 ZINC000040689135 174375708 /nfs/dbraw/zinc/37/57/08/174375708.db2.gz CULANQXZHZJWKB-ZDUSSCGKSA-N 1 1 268.426 2.557 10 0 CFAEMO CCOC1CC[NH+]([C@H](C)[C@@H](N)c2ccc(C)cc2)CC1 ZINC000040689269 174376075 /nfs/dbraw/zinc/37/60/75/174376075.db2.gz RMPLBMUOJNANEF-RHSMWYFYSA-N 1 1 276.424 2.884 10 0 CFAEMO CCOC1CC[NH+](Cc2cc(C(C)=O)ccc2OC)CC1 ZINC000040689771 174376691 /nfs/dbraw/zinc/37/66/91/174376691.db2.gz PGFPYHDXVGAOJR-UHFFFAOYSA-N 1 1 291.391 2.899 10 0 CFAEMO C[N@H+]1CCC[C@@H](Nc2nc3cc(F)ccc3s2)C1 ZINC000040715957 174383687 /nfs/dbraw/zinc/38/36/87/174383687.db2.gz OWOFRWRUGMAMFL-SNVBAGLBSA-N 1 1 265.357 2.942 10 0 CFAEMO COc1ccccc1C[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749444 174393537 /nfs/dbraw/zinc/39/35/37/174393537.db2.gz UHMTVZAMTPDOBS-WWTUQBGBSA-N 1 1 274.408 2.580 10 0 CFAEMO CC[C@@H](c1ccc(O)cc1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749319 174393740 /nfs/dbraw/zinc/39/37/40/174393740.db2.gz WLJBAZCBWJFVRC-HUORLRHWSA-N 1 1 260.381 2.797 10 0 CFAEMO C[NH2+][C@H](c1nc(C)cs1)c1cc(OC)cc(OC)c1 ZINC000041185272 174507230 /nfs/dbraw/zinc/50/72/30/174507230.db2.gz UHBSNNCQCYYKBD-ZDUSSCGKSA-N 1 1 278.377 2.778 10 0 CFAEMO CC[C@@H](N)[C@@H](c1ccco1)[N@H+](CCOC)CC(C)C ZINC000043335920 175012222 /nfs/dbraw/zinc/01/22/22/175012222.db2.gz HDGFOWBLVLFTSR-HIFRSBDPSA-N 1 1 268.401 2.662 10 0 CFAEMO CC[C@@H](N)[C@@H](c1ccco1)[N@@H+](CCOC)CC(C)C ZINC000043335920 175012223 /nfs/dbraw/zinc/01/22/23/175012223.db2.gz HDGFOWBLVLFTSR-HIFRSBDPSA-N 1 1 268.401 2.662 10 0 CFAEMO CC[C@@H](N)[C@@H](c1cccnc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000043345754 175016691 /nfs/dbraw/zinc/01/66/91/175016691.db2.gz CFQMXLDAZKEVSQ-OCVGTWLNSA-N 1 1 261.413 2.838 10 0 CFAEMO CC[C@@H](N)[C@@H](c1cccnc1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000043345754 175016693 /nfs/dbraw/zinc/01/66/93/175016693.db2.gz CFQMXLDAZKEVSQ-OCVGTWLNSA-N 1 1 261.413 2.838 10 0 CFAEMO CCC1CCC([N@H+](C)[C@H](CN)c2ccncc2)CC1 ZINC000043354301 175021150 /nfs/dbraw/zinc/02/11/50/175021150.db2.gz KTVYVWQTFHKABK-AVVWSFFYSA-N 1 1 261.413 2.982 10 0 CFAEMO CCC1CCC([N@@H+](C)[C@H](CN)c2ccncc2)CC1 ZINC000043354301 175021152 /nfs/dbraw/zinc/02/11/52/175021152.db2.gz KTVYVWQTFHKABK-AVVWSFFYSA-N 1 1 261.413 2.982 10 0 CFAEMO C[C@@H](N)[C@@H](c1ccncc1)[N@H+](C)CC1CCCCC1 ZINC000043354248 175021245 /nfs/dbraw/zinc/02/12/45/175021245.db2.gz UUIBUXYRMQRREL-CJNGLKHVSA-N 1 1 261.413 2.982 10 0 CFAEMO C[C@@H](N)[C@@H](c1ccncc1)[N@@H+](C)CC1CCCCC1 ZINC000043354248 175021246 /nfs/dbraw/zinc/02/12/46/175021246.db2.gz UUIBUXYRMQRREL-CJNGLKHVSA-N 1 1 261.413 2.982 10 0 CFAEMO CCC(CC)[N@@H+](CCO)[C@@H](c1ccc(C)o1)[C@H](N)CC ZINC000043365186 175026246 /nfs/dbraw/zinc/02/62/46/175026246.db2.gz INDFVPCJTPUFLY-GDBMZVCRSA-N 1 1 282.428 2.849 10 0 CFAEMO CCC(CC)[N@H+](CCO)[C@@H](c1ccc(C)o1)[C@H](N)CC ZINC000043365186 175026247 /nfs/dbraw/zinc/02/62/47/175026247.db2.gz INDFVPCJTPUFLY-GDBMZVCRSA-N 1 1 282.428 2.849 10 0 CFAEMO Cc1cc(C)cc([C@@H]([NH2+]Cc2cccs2)C(N)=O)c1 ZINC000043394777 175034762 /nfs/dbraw/zinc/03/47/62/175034762.db2.gz LGRHNHWOYWQNOH-CQSZACIVSA-N 1 1 274.389 2.681 10 0 CFAEMO Cc1cc(C)cc([C@H](CN)[N@H+](C)CCc2ccncc2)c1 ZINC000043394230 175035201 /nfs/dbraw/zinc/03/52/01/175035201.db2.gz UIARPVZLJCOYPW-SFHVURJKSA-N 1 1 283.419 2.873 10 0 CFAEMO Cc1cc(C)cc([C@H](CN)[N@@H+](C)CCc2ccncc2)c1 ZINC000043394230 175035202 /nfs/dbraw/zinc/03/52/02/175035202.db2.gz UIARPVZLJCOYPW-SFHVURJKSA-N 1 1 283.419 2.873 10 0 CFAEMO CCCC(C[NH3+])(CCC)[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000043424589 175039857 /nfs/dbraw/zinc/03/98/57/175039857.db2.gz GYBVQWOWQDRVLT-KBPBESRZSA-N 1 1 254.418 2.537 10 0 CFAEMO CCCC(CN)(CCC)[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000043424589 175039858 /nfs/dbraw/zinc/03/98/58/175039858.db2.gz GYBVQWOWQDRVLT-KBPBESRZSA-N 1 1 254.418 2.537 10 0 CFAEMO CCCC(CN)(CCC)[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000043424589 175039859 /nfs/dbraw/zinc/03/98/59/175039859.db2.gz GYBVQWOWQDRVLT-KBPBESRZSA-N 1 1 254.418 2.537 10 0 CFAEMO COc1ccc2nc(SC[C@@H]3CCC[NH2+]C3)[nH]c2c1 ZINC000043471642 175053812 /nfs/dbraw/zinc/05/38/12/175053812.db2.gz CBXACBRBXVGJRJ-SNVBAGLBSA-N 1 1 277.393 2.663 10 0 CFAEMO C[NH2+]Cc1cnc(-c2ccc(O)c(Cl)c2)s1 ZINC000043477174 175054928 /nfs/dbraw/zinc/05/49/28/175054928.db2.gz KYCGADBFZPHOHH-UHFFFAOYSA-N 1 1 254.742 2.889 10 0 CFAEMO CC(C)C[C@@H]([NH3+])C(=O)O[C@@H]1CCCc2ccccc21 ZINC000043561972 175066520 /nfs/dbraw/zinc/06/65/20/175066520.db2.gz QWMBOYLQCODNDE-HUUCEWRRSA-N 1 1 261.365 2.981 10 0 CFAEMO CCCOc1ccc([C@@H](C[NH+]2CCCC2)NC)cc1 ZINC000043807121 175108618 /nfs/dbraw/zinc/10/86/18/175108618.db2.gz NJBRRSYGJQTKBB-MRXNPFEDSA-N 1 1 262.397 2.832 10 0 CFAEMO CCN[C@H](C[NH+](CC)CC)c1ccc(OC)cc1OC ZINC000043809176 175109375 /nfs/dbraw/zinc/10/93/75/175109375.db2.gz LDJYJQQZMRKQJB-OAHLLOKOSA-N 1 1 280.412 2.696 10 0 CFAEMO CCC[NH2+][C@H](c1ccccc1)[C@H](CC)N1CCN(C)CC1 ZINC000043811073 175110439 /nfs/dbraw/zinc/11/04/39/175110439.db2.gz MMZZCIHYZVLKRV-ZWKOTPCHSA-N 1 1 289.467 2.753 10 0 CFAEMO CN[C@@H](C[NH+]1CCCCCC1)c1ccc(OC)cc1OC ZINC000043811993 175110854 /nfs/dbraw/zinc/11/08/54/175110854.db2.gz MGIYWQRXEGZKJY-INIZCTEOSA-N 1 1 292.423 2.840 10 0 CFAEMO CCN[C@H]1c2ccccc2OC[C@H]1[NH+]1CCCCCC1 ZINC000043812240 175111024 /nfs/dbraw/zinc/11/10/24/175111024.db2.gz ZHVWLPNQONVTBQ-WBVHZDCISA-N 1 1 274.408 2.974 10 0 CFAEMO CN[C@@H](C[NH+]1CCCCCC1)c1cccc(OC)c1 ZINC000043812041 175111277 /nfs/dbraw/zinc/11/12/77/175111277.db2.gz PPUOUHURKZQLMR-INIZCTEOSA-N 1 1 262.397 2.832 10 0 CFAEMO CN[C@H]1c2ccccc2OC[C@H]1[N@H+](C)C1CCCCC1 ZINC000043815034 175111592 /nfs/dbraw/zinc/11/15/92/175111592.db2.gz KMOKKJXLXWHSAP-WBVHZDCISA-N 1 1 274.408 2.973 10 0 CFAEMO CN[C@H]1c2ccccc2OC[C@H]1[N@@H+](C)C1CCCCC1 ZINC000043815034 175111594 /nfs/dbraw/zinc/11/15/94/175111594.db2.gz KMOKKJXLXWHSAP-WBVHZDCISA-N 1 1 274.408 2.973 10 0 CFAEMO CCCN(CCC)C[C@@H]([NH2+]C)c1ccc2c(c1)OCCO2 ZINC000043814674 175111705 /nfs/dbraw/zinc/11/17/05/175111705.db2.gz 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/nfs/dbraw/zinc/35/31/37/175353137.db2.gz QPPSYJSWRIFZQV-GOEBONIOSA-N 1 1 286.460 2.818 10 0 CFAEMO CCOC(=O)[C@@H]([NH3+])CN(CC)c1cccc2ccccc21 ZINC000045369569 175363663 /nfs/dbraw/zinc/36/36/63/175363663.db2.gz XGYRCJDXHDOHKX-HNNXBMFYSA-N 1 1 286.375 2.557 10 0 CFAEMO CCOC(=O)[C@@](C)(CCCC[N@H+]1CCCC[C@@H]1C)NC ZINC000045376072 175366537 /nfs/dbraw/zinc/36/65/37/175366537.db2.gz CHRJACGALMLPKM-GOEBONIOSA-N 1 1 284.444 2.572 10 0 CFAEMO CCN[C@](C)(CCCC[N@H+]1CCCC[C@@H]1C)C(=O)OCC ZINC000045376081 175366623 /nfs/dbraw/zinc/36/66/23/175366623.db2.gz GSMLHARSVCNXRM-DOTOQJQBSA-N 1 1 298.471 2.962 10 0 CFAEMO COC(=O)[C@](C)(CCCC[N@H+]1CCC[C@@H](C)C1)NC(C)C ZINC000045377211 175366820 /nfs/dbraw/zinc/36/68/20/175366820.db2.gz OWQKOTADHPTXGY-WBVHZDCISA-N 1 1 298.471 2.818 10 0 CFAEMO CCCN[C@](C)(CCC[N@@H+](C)C1CCCCC1)C(=O)OC ZINC000045379157 175367931 /nfs/dbraw/zinc/36/79/31/175367931.db2.gz IZIWEJUZFDNTDP-QGZVFWFLSA-N 1 1 298.471 2.962 10 0 CFAEMO CCCN[C@@](C)(CCC[N@@H+]1[C@H](C)CCC[C@@H]1C)C(=O)OC ZINC000045379735 175369031 /nfs/dbraw/zinc/36/90/31/175369031.db2.gz ZJYPCLPJBOMTIC-UXLLHSPISA-N 1 1 298.471 2.961 10 0 CFAEMO COC(=O)[C@](C)(CCCC[N@@H+](C)C1CCCC1)NC(C)C ZINC000045384729 175372053 /nfs/dbraw/zinc/37/20/53/175372053.db2.gz JZLRKWPSSHAYDH-KRWDZBQOSA-N 1 1 298.471 2.961 10 0 CFAEMO CCCCC[N@@H+](C)CCC[C@@](C)(NCCC)C(=O)OC ZINC000045388164 175373934 /nfs/dbraw/zinc/37/39/34/175373934.db2.gz JRZIRAHWEGGAJE-MRXNPFEDSA-N 1 1 286.460 2.820 10 0 CFAEMO CCC(CC)[N@@H+](C)CCC[C@@](C)(NC(C)C)C(=O)OC ZINC000045391649 175374388 /nfs/dbraw/zinc/37/43/88/175374388.db2.gz AEKTVJHIVLZEMV-MRXNPFEDSA-N 1 1 286.460 2.817 10 0 CFAEMO CCC(CC)[N@@H+](C)CCCC[C@@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000045391385 175374639 /nfs/dbraw/zinc/37/46/39/175374639.db2.gz JTTVEYOLQNSMDR-MRXNPFEDSA-N 1 1 284.444 2.872 10 0 CFAEMO CCOC(=O)[C@](C)(CCC[N@@H+](C)C(CC)CC)NC1CC1 ZINC000045391673 175374770 /nfs/dbraw/zinc/37/47/70/175374770.db2.gz YOICVZFFAVIWQS-KRWDZBQOSA-N 1 1 298.471 2.961 10 0 CFAEMO CC(C)[NH2+][C@@](C)(CCC[N@@H+](C)[C@@H](C)C(C)C)C(=O)[O-] ZINC000045392076 175375404 /nfs/dbraw/zinc/37/54/04/175375404.db2.gz NXAPCHXCVCYUMW-ZFWWWQNUSA-N 1 1 272.433 2.584 10 0 CFAEMO COC(=O)[C@@](C)(N)CCCC[NH+](CC(C)C)CC(C)C ZINC000045420389 175378860 /nfs/dbraw/zinc/37/88/60/175378860.db2.gz ILJAPQKAZNPUFP-INIZCTEOSA-N 1 1 286.460 2.661 10 0 CFAEMO CCOC(=O)[C@](C)(CCC[N@@H+](C)[C@@H](C)C(C)(C)C)NC ZINC000045421022 175379505 /nfs/dbraw/zinc/37/95/05/175379505.db2.gz OMNUDHPWLGTPFU-BBRMVZONSA-N 1 1 286.460 2.674 10 0 CFAEMO CCCC[N@@H+](CCCC[C@](C)(NC)C(=O)OC)C1CC1 ZINC000045421735 175380548 /nfs/dbraw/zinc/38/05/48/175380548.db2.gz YAYXBRHBFBAXAD-INIZCTEOSA-N 1 1 284.444 2.572 10 0 CFAEMO C[N@@H+](C[C@@H](O)COC(C)(C)C)CC1CCCCC1 ZINC000046037427 175390609 /nfs/dbraw/zinc/39/06/09/175390609.db2.gz JFLOGLHZUQJERR-CQSZACIVSA-N 1 1 257.418 2.675 10 0 CFAEMO [NH3+]Cc1nc(-c2ccc(Br)cc2)co1 ZINC000071574519 176201416 /nfs/dbraw/zinc/20/14/16/176201416.db2.gz PBVCYPYQRDNRBU-UHFFFAOYSA-N 1 1 253.099 2.563 10 0 CFAEMO CCOc1ccc(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000078823528 177393851 /nfs/dbraw/zinc/39/38/51/177393851.db2.gz MMRUZOSEKSEMHI-KBPBESRZSA-N 1 1 279.380 2.573 10 0 CFAEMO COC(=O)[C@@H]1CCC[N@@H+](CCSCc2ccccc2)C1 ZINC000192566093 228115699 /nfs/dbraw/zinc/11/56/99/228115699.db2.gz LMUWLTNDIUAOGR-OAHLLOKOSA-N 1 1 293.432 2.805 10 0 CFAEMO Brc1ccc2c(c1)C[NH2+][C@H]2c1cnco1 ZINC000096948413 265392154 /nfs/dbraw/zinc/39/21/54/265392154.db2.gz DSIXTRFKZLDTOG-LLVKDONJSA-N 1 1 265.110 2.630 10 0 CFAEMO CCCCOC[C@@H](O)C[N@@H+](C)Cc1ccccc1Cl ZINC000193248101 266653012 /nfs/dbraw/zinc/65/30/12/266653012.db2.gz OJTJMBGPQLVINI-AWEZNQCLSA-N 1 1 285.815 2.949 10 0 CFAEMO CC[N@H+]1CCC[C@@H](NC(=O)Nc2ncc(C(C)C)s2)C1 ZINC000192388463 270231239 /nfs/dbraw/zinc/23/12/39/270231239.db2.gz WCMBJEAKMOASID-LLVKDONJSA-N 1 1 296.440 2.872 10 0 CFAEMO CCOc1ccc(NC(=O)N[C@@H]2CCC[N@@H+](CC)C2)cc1 ZINC000194313083 270244620 /nfs/dbraw/zinc/24/46/20/270244620.db2.gz WGRQLHPURWZIIM-CQSZACIVSA-N 1 1 291.395 2.691 10 0 CFAEMO COCC[N@@H+]1CCN(Cc2cc(Cl)cs2)C[C@@H]1C ZINC000194384839 270245698 /nfs/dbraw/zinc/24/56/98/270245698.db2.gz LZVGTCYVYQYBDD-NSHDSACASA-N 1 1 288.844 2.554 10 0 CFAEMO COCC[N@H+]1CCN(Cc2cc(Cl)cs2)C[C@@H]1C ZINC000194384839 270245699 /nfs/dbraw/zinc/24/56/99/270245699.db2.gz LZVGTCYVYQYBDD-NSHDSACASA-N 1 1 288.844 2.554 10 0 CFAEMO CCCCS[C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000194665481 270246231 /nfs/dbraw/zinc/24/62/31/270246231.db2.gz OKBGSJDWBAIFNX-QWHCGFSZSA-N 1 1 272.458 2.509 10 0 CFAEMO C[N@@H+](C[C@@H](O)COCc1ccccc1)C1CC(C)(C)C1 ZINC000395480221 270312806 /nfs/dbraw/zinc/31/28/06/270312806.db2.gz GMZPBONYMWZCSP-MRXNPFEDSA-N 1 1 277.408 2.685 10 0 CFAEMO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc(Br)cc1 ZINC000399227781 270327521 /nfs/dbraw/zinc/32/75/21/270327521.db2.gz ZPMAYWHJZNGGLN-GXFFZTMASA-N 1 1 284.197 2.794 10 0 CFAEMO C[C@H]1CC[C@@H](O)C[N@H+]1Cc1ccc(Br)cc1 ZINC000399227781 270327522 /nfs/dbraw/zinc/32/75/22/270327522.db2.gz ZPMAYWHJZNGGLN-GXFFZTMASA-N 1 1 284.197 2.794 10 0 CFAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cnn(-c2ccccc2)c1 ZINC000113271006 274374564 /nfs/dbraw/zinc/37/45/64/274374564.db2.gz CJUVBLFJBLCZGA-CRAIPNDOSA-N 1 1 296.418 2.541 10 0 CFAEMO O[C@@]12CCCC[C@H]1C[N@@H+](Cc1nc3ccccc3[nH]1)CC2 ZINC000019375838 275056301 /nfs/dbraw/zinc/05/63/01/275056301.db2.gz HAZIQUBEYYWWCN-SUMWQHHRSA-N 1 1 285.391 2.690 10 0 CFAEMO CCC[C@H](C)[N@H+]1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000192835057 276283575 /nfs/dbraw/zinc/28/35/75/276283575.db2.gz DOLXHJISXNSXSX-YUTCNCBUSA-N 1 1 253.411 2.944 10 0 CFAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)CCc1ccc(C)cc1 ZINC000176996687 276369759 /nfs/dbraw/zinc/36/97/59/276369759.db2.gz YNQDXKYROWRDNA-QGZVFWFLSA-N 1 1 288.435 2.870 10 0 CFAEMO CN1CCC([N@H+]2CC[C@@H](C3CCCCC3)C2)CC1 ZINC000032598306 277027105 /nfs/dbraw/zinc/02/71/05/277027105.db2.gz UHDZCYDSHIGQCV-OAHLLOKOSA-N 1 1 250.430 2.983 10 0 CFAEMO CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000095752110 277189153 /nfs/dbraw/zinc/18/91/53/277189153.db2.gz ZDCBRHDOQRXGOG-CYBMUJFWSA-N 1 1 280.343 2.707 10 0 CFAEMO C[C@H](O)C[C@H]1CCCC[N@H+]1C[C@H]1Cc2ccccc21 ZINC000253085911 278298839 /nfs/dbraw/zinc/29/88/39/278298839.db2.gz ABAZDSJHUQQDBL-NUEKZKHPSA-N 1 1 259.393 2.952 10 0 CFAEMO C[C@@H]1Cc2ccccc2C[N@H+]1C[C@@H](O)COC(C)(C)C ZINC000247090388 279017042 /nfs/dbraw/zinc/01/70/42/279017042.db2.gz XMMHETTZGXYVQZ-CZUORRHYSA-N 1 1 277.408 2.609 10 0 CFAEMO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)C[C@](C)(O)CC ZINC000161876121 279057054 /nfs/dbraw/zinc/05/70/54/279057054.db2.gz HUODOHPPBZHJNG-QGZVFWFLSA-N 1 1 292.423 2.725 10 0 CFAEMO Cc1nc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)sc1C ZINC000246272872 279098323 /nfs/dbraw/zinc/09/83/23/279098323.db2.gz RYJMVFDGICWOCL-BXKDBHETSA-N 1 1 296.440 2.610 10 0 CFAEMO C[C@H](N[C@@H]1CCCc2sccc21)[C@H]1CC[NH2+]C1 ZINC000400406217 279510686 /nfs/dbraw/zinc/51/06/86/279510686.db2.gz 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OUFDLMQIMOZPLL-INIZCTEOSA-N 1 1 297.402 2.644 10 0 CFAEMO CC(C)C[NH+](Cc1csc(CN)n1)CC(C)C ZINC000052484957 519718640 /nfs/dbraw/zinc/71/86/40/519718640.db2.gz WUZHIYJVONAGHD-UHFFFAOYSA-N 1 1 255.431 2.716 10 0 CFAEMO CC(C)[NH2+]C[C@H]1CC[C@@H](CN(C)Cc2ccsc2)O1 ZINC000052457400 519725429 /nfs/dbraw/zinc/72/54/29/519725429.db2.gz XVANJICQIABFPW-CABCVRRESA-N 1 1 282.453 2.726 10 0 CFAEMO CC(C)[C@@H](C[NH+](C)C)NCc1cnn(-c2ccccc2)c1 ZINC000049195385 519793803 /nfs/dbraw/zinc/79/38/03/519793803.db2.gz ZYPHWFYOXGOJOJ-QGZVFWFLSA-N 1 1 286.423 2.548 10 0 CFAEMO CC(C)[C@@H](C[NH+](C)C)N[C@@H]1CCOc2ccccc21 ZINC000049196833 519793907 /nfs/dbraw/zinc/79/39/07/519793907.db2.gz ASQAQEAQNKUODA-HUUCEWRRSA-N 1 1 262.397 2.686 10 0 CFAEMO CC(C)[C@@H](C[NH+](C)C)N[C@H]1CCOc2ccccc21 ZINC000049196839 519794004 /nfs/dbraw/zinc/79/40/04/519794004.db2.gz ASQAQEAQNKUODA-LSDHHAIUSA-N 1 1 262.397 2.686 10 0 CFAEMO CC(C)[C@@H]1CNC(C)(C)C[N@@H+]1CCOc1ccccc1 ZINC000062670221 519804735 /nfs/dbraw/zinc/80/47/35/519804735.db2.gz PYTPECCMDPPVRC-INIZCTEOSA-N 1 1 276.424 2.774 10 0 CFAEMO CC(C)[C@@H]1CNC(C)(C)C[N@H+]1CCOc1ccccc1 ZINC000062670221 519804736 /nfs/dbraw/zinc/80/47/36/519804736.db2.gz PYTPECCMDPPVRC-INIZCTEOSA-N 1 1 276.424 2.774 10 0 CFAEMO CC(C)[C@H]([NH3+])c1nc(Cc2cc(F)cc(F)c2)no1 ZINC000049347906 519817864 /nfs/dbraw/zinc/81/78/64/519817864.db2.gz UMCSJZQBJCERFX-LBPRGKRZSA-N 1 1 267.279 2.594 10 0 CFAEMO CC(C)[C@H]1C[N@H+](CCCc2ccccc2)[C@@H](C)CN1 ZINC000068694842 519826592 /nfs/dbraw/zinc/82/65/92/519826592.db2.gz AKFWEHGASRLTDW-DOTOQJQBSA-N 1 1 260.425 2.938 10 0 CFAEMO CC(C)[C@H]1C[N@@H+](CCCc2ccccc2)[C@@H](C)CN1 ZINC000068694842 519826593 /nfs/dbraw/zinc/82/65/93/519826593.db2.gz AKFWEHGASRLTDW-DOTOQJQBSA-N 1 1 260.425 2.938 10 0 CFAEMO CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2[C@@H](C)COCC ZINC000054602833 519907890 /nfs/dbraw/zinc/90/78/90/519907890.db2.gz VWFVAUDQAOXOFB-HNSVSWJLSA-N 1 1 268.445 2.797 10 0 CFAEMO CCC[NH2+]C[C@@H]1CC[C@H](CN(C)Cc2ccc(C)o2)O1 ZINC000052455895 519925175 /nfs/dbraw/zinc/92/51/75/519925175.db2.gz NDVIVAZXUOPQMO-GOEBONIOSA-N 1 1 280.412 2.567 10 0 CFAEMO CCC[NH2+]C[C@H]1CC[C@H](CN2Cc3ccccc3C2)O1 ZINC000052374511 519940584 /nfs/dbraw/zinc/94/05/84/519940584.db2.gz JUHYVKXMYCZHGA-IAGOWNOFSA-N 1 1 274.408 2.549 10 0 CFAEMO CC(C)n1cc(C[NH2+][C@H](C)c2cccs2)nn1 ZINC000310117060 519960199 /nfs/dbraw/zinc/96/01/99/519960199.db2.gz ABDYQKFZEDDRSF-SNVBAGLBSA-N 1 1 250.371 2.771 10 0 CFAEMO CCC[NH2+][C@@](C)(CCCn1cc[nH+]c1C(C)C)C(=O)[O-] ZINC000045430582 520034404 /nfs/dbraw/zinc/03/44/04/520034404.db2.gz ZCUITHLZHYAFHS-HNNXBMFYSA-N 1 1 281.400 2.630 10 0 CFAEMO CCC[NH2+][C@](C)(CCC[N@@H+](C)CCC(C)C)C(=O)[O-] ZINC000045427902 520105611 /nfs/dbraw/zinc/10/56/11/520105611.db2.gz ZSJHWJRTPHDCAJ-OAHLLOKOSA-N 1 1 272.433 2.587 10 0 CFAEMO CCN[C@@H]1c2ccccc2OC[C@H]1[N@H+](CC)CC1CC1 ZINC000069237954 520125775 /nfs/dbraw/zinc/12/57/75/520125775.db2.gz XQTGNNIMEXNHEK-NVXWUHKLSA-N 1 1 274.408 2.830 10 0 CFAEMO CCN[C@@H]1c2ccccc2OC[C@H]1[N@@H+](CC)CC1CC1 ZINC000069237954 520125781 /nfs/dbraw/zinc/12/57/81/520125781.db2.gz XQTGNNIMEXNHEK-NVXWUHKLSA-N 1 1 274.408 2.830 10 0 CFAEMO CCCNc1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)cn1 ZINC000050815278 520157665 /nfs/dbraw/zinc/15/76/65/520157665.db2.gz BVPZYXSBWQJMOP-LSDHHAIUSA-N 1 1 275.396 2.657 10 0 CFAEMO CCCNc1ccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)cn1 ZINC000050815278 520157672 /nfs/dbraw/zinc/15/76/72/520157672.db2.gz BVPZYXSBWQJMOP-LSDHHAIUSA-N 1 1 275.396 2.657 10 0 CFAEMO CCO[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2N)C1 ZINC000050443135 520528296 /nfs/dbraw/zinc/52/82/96/520528296.db2.gz QAYYZQMKZGAROX-ZDUSSCGKSA-N 1 1 268.788 2.923 10 0 CFAEMO CCC[C@@H]([NH3+])c1nc(Cc2cc(F)cc(F)c2)no1 ZINC000049347783 520725739 /nfs/dbraw/zinc/72/57/39/520725739.db2.gz PMUADCLWXGSDOT-LLVKDONJSA-N 1 1 267.279 2.739 10 0 CFAEMO CCCCOC[C@H](O)C[N@H+]1CCC[C@@H](CC)CC1 ZINC000227907161 520803820 /nfs/dbraw/zinc/80/38/20/520803820.db2.gz KOYZBLMXNGKKNL-HUUCEWRRSA-N 1 1 257.418 2.676 10 0 CFAEMO CCCCSCCC(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000172541788 520953247 /nfs/dbraw/zinc/95/32/47/520953247.db2.gz GFFBGTDCSSFRFP-CYBMUJFWSA-N 1 1 272.458 2.510 10 0 CFAEMO CC[N@@H+](CC1CC1)[C@@H](C)C(=O)Nc1cc(Cl)ccc1N ZINC000069237069 520965318 /nfs/dbraw/zinc/96/53/18/520965318.db2.gz OGVGMNLYQAEZTC-JTQLQIEISA-N 1 1 295.814 2.981 10 0 CFAEMO CCOc1ccc(CN[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000048567493 521006519 /nfs/dbraw/zinc/00/65/19/521006519.db2.gz CWGXPKQNYHJVFD-AWEZNQCLSA-N 1 1 262.397 2.659 10 0 CFAEMO CC[N@@H+](C[C@H](N)c1ccc2c(c1)OCCCO2)CC1CC1 ZINC000069238023 521260548 /nfs/dbraw/zinc/26/05/48/521260548.db2.gz YLWPJESDJGLQHA-HNNXBMFYSA-N 1 1 290.407 2.580 10 0 CFAEMO CCN(C[C@H]([NH3+])c1ccc2c(c1)OCCCO2)CC1CC1 ZINC000069238023 521260554 /nfs/dbraw/zinc/26/05/54/521260554.db2.gz YLWPJESDJGLQHA-HNNXBMFYSA-N 1 1 290.407 2.580 10 0 CFAEMO CCOc1ccc([C@H](N)C[N@@H+](CC)CC2CC2)cc1 ZINC000069237631 521263464 /nfs/dbraw/zinc/26/34/64/521263464.db2.gz GECMKTSRWLJBPH-MRXNPFEDSA-N 1 1 262.397 2.817 10 0 CFAEMO CCOc1ccc([C@H]([NH3+])CN(CC)CC2CC2)cc1 ZINC000069237631 521263473 /nfs/dbraw/zinc/26/34/73/521263473.db2.gz GECMKTSRWLJBPH-MRXNPFEDSA-N 1 1 262.397 2.817 10 0 CFAEMO CC[N@@H+](Cc1cc(CNCC(C)C)no1)CC(C)C ZINC000052449678 521290566 /nfs/dbraw/zinc/29/05/66/521290566.db2.gz VTYYWELRPZPOEO-UHFFFAOYSA-N 1 1 267.417 2.898 10 0 CFAEMO CC[N@H+](Cc1cc(CNCC(C)C)no1)CC(C)C ZINC000052449678 521290573 /nfs/dbraw/zinc/29/05/73/521290573.db2.gz VTYYWELRPZPOEO-UHFFFAOYSA-N 1 1 267.417 2.898 10 0 CFAEMO CCC(C)(C)[N@@H+](C)C[C@@H](NC)c1ccc2c(c1)OCO2 ZINC000069432390 521304754 /nfs/dbraw/zinc/30/47/54/521304754.db2.gz NMXHZTNWSNZYFM-CYBMUJFWSA-N 1 1 278.396 2.796 10 0 CFAEMO CCC(C)(C)N(C)C[C@@H]([NH2+]C)c1ccc2c(c1)OCO2 ZINC000069432390 521304764 /nfs/dbraw/zinc/30/47/64/521304764.db2.gz NMXHZTNWSNZYFM-CYBMUJFWSA-N 1 1 278.396 2.796 10 0 CFAEMO CCOC(=O)[C@](C)(CCC[N@@H+](C)C(C)(C)CC)NC1CC1 ZINC000069443438 521320371 /nfs/dbraw/zinc/32/03/71/521320371.db2.gz 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10 0 CFAEMO C[N@@H+](C[C@](C)(O)c1ccccc1)CC1(O)CCCCCC1 ZINC000187330830 648452472 /nfs/dbraw/zinc/45/24/72/648452472.db2.gz IAPMWMHOMISHNP-KRWDZBQOSA-N 1 1 291.435 2.911 10 0 CFAEMO CN(C)c1ccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000036335367 649586794 /nfs/dbraw/zinc/58/67/94/649586794.db2.gz YFVPTFZIBAETQQ-VHRNVKJDSA-N 1 1 259.397 2.790 10 0 CFAEMO CC[C@@H]1CC[C@@H](C)[N@H+]1C[C@H](O)COCc1ccccc1 ZINC000124575876 187144409 /nfs/dbraw/zinc/14/44/09/187144409.db2.gz VIJCRPFOULNUEF-OIISXLGYSA-N 1 1 277.408 2.827 10 0 CFAEMO CCOC(=O)N1C[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)[C@H]2C1 ZINC000095829957 185028565 /nfs/dbraw/zinc/02/85/65/185028565.db2.gz LXDJUCZFLBOTOY-BMFZPTHFSA-N 1 1 288.391 2.910 10 0 CFAEMO CCOC(=O)N1C[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)[C@@H]2C1 ZINC000095829958 185028743 /nfs/dbraw/zinc/02/87/43/185028743.db2.gz LXDJUCZFLBOTOY-VNQPRFMTSA-N 1 1 288.391 2.910 10 0 CFAEMO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000246263843 282102190 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CC[C@@H]1C[N@H+]([C@@H](C)c2cccc(C)c2)CCN1C[C@@H](C)O ZINC000173676885 529401334 /nfs/dbraw/zinc/40/13/34/529401334.db2.gz WHUOHHIYMNLNEH-SOLBZPMBSA-N 1 1 290.451 2.833 10 0 CFAEMO Cc1nccnc1[C@H](C)[NH2+][C@H]1CCOc2ccccc21 ZINC000187697673 282224220 /nfs/dbraw/zinc/22/42/20/282224220.db2.gz HGVOLHGXRLISJS-JSGCOSHPSA-N 1 1 269.348 2.959 10 0 CFAEMO C[C@H]1[C@@H](O)CCC[N@H+]1Cc1cccc2cccnc21 ZINC000295036400 199313383 /nfs/dbraw/zinc/31/33/83/199313383.db2.gz OHVFGQZQEASREJ-WFASDCNBSA-N 1 1 256.349 2.580 10 0 CFAEMO OCC[NH+]1Cc2ccccc2Cc2ccccc2C1 ZINC000003631298 346208981 /nfs/dbraw/zinc/20/89/81/346208981.db2.gz ODLIAGVIBYFYDL-UHFFFAOYSA-N 1 1 253.345 2.585 10 0 CFAEMO C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1csc(Br)c1 ZINC000295142190 199369339 /nfs/dbraw/zinc/36/93/39/199369339.db2.gz ZXRIKVIBXWFRCH-WPRPVWTQSA-N 1 1 290.226 2.856 10 0 CFAEMO C[C@H]1[C@@H](O)CCC[N@H+]1Cc1csc(Br)c1 ZINC000295142190 199369340 /nfs/dbraw/zinc/36/93/40/199369340.db2.gz ZXRIKVIBXWFRCH-WPRPVWTQSA-N 1 1 290.226 2.856 10 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CC[N@H+]1CCC[C@@](Nc2ccccc2C)(C(=O)OC)CC1 ZINC000086849950 179358212 /nfs/dbraw/zinc/35/82/12/179358212.db2.gz UTOOIBAFKOQQNN-KRWDZBQOSA-N 1 1 290.407 2.825 10 0 CFAEMO CCC[N@H+]1CCC[C@](NC2CCCC2)(C(=O)OCC)CC1 ZINC000086850388 179358435 /nfs/dbraw/zinc/35/84/35/179358435.db2.gz GXKIKOISHNMOCB-QGZVFWFLSA-N 1 1 296.455 2.716 10 0 CFAEMO [NH3+][C@@]12CN(Cc3ccccc3)C[C@H]1c1ccccc1CC2 ZINC000225918427 348180478 /nfs/dbraw/zinc/18/04/78/348180478.db2.gz QGTKUBTUMAIBIK-OALUTQOASA-N 1 1 278.399 2.930 10 0 CFAEMO COC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC2(CCCC2)O1 ZINC000229391990 348202229 /nfs/dbraw/zinc/20/22/29/348202229.db2.gz HBZYLGUQWHARNZ-KBPBESRZSA-N 1 1 281.396 2.506 10 0 CFAEMO COC(=O)[C@@H]1CCCC[N@H+]1C[C@@H]1CCC2(CCCC2)O1 ZINC000229391990 348202234 /nfs/dbraw/zinc/20/22/34/348202234.db2.gz HBZYLGUQWHARNZ-KBPBESRZSA-N 1 1 281.396 2.506 10 0 CFAEMO Cn1cc([C@@H]2CC[N@@H+](C/C=C\c3ccccc3)C2)cn1 ZINC000254943543 348302536 /nfs/dbraw/zinc/30/25/36/348302536.db2.gz ZQPBDTKUAFAUJN-KQQSKNTNSA-N 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CC(C)c1nn(C)cc1CNC[C@@H](C)[NH+]1CCCCC1 ZINC000038029150 174019147 /nfs/dbraw/zinc/01/91/47/174019147.db2.gz FFTGIWKFVFXHSZ-CQSZACIVSA-N 1 1 278.444 2.508 10 0 CFAEMO CC(C)c1nn(C)cc1CNC[C@H](C)[NH+]1CCCCC1 ZINC000038029151 174019816 /nfs/dbraw/zinc/01/98/16/174019816.db2.gz FFTGIWKFVFXHSZ-AWEZNQCLSA-N 1 1 278.444 2.508 10 0 CFAEMO O=c1[nH]c([NH2+]CCc2ccco2)cc2ccccc21 ZINC000038059615 174069536 /nfs/dbraw/zinc/06/95/36/174069536.db2.gz MKGBDKXMYSCSIM-UHFFFAOYSA-N 1 1 254.289 2.776 10 0 CFAEMO CC[C@@H](C)[NH2+][C@@H](C(N)=O)c1c(Cl)cccc1Cl ZINC000038064998 174075271 /nfs/dbraw/zinc/07/52/71/174075271.db2.gz VFKLJXDHEASYQC-RDDDGLTNSA-N 1 1 275.179 2.908 10 0 CFAEMO CCC[NH+](CCC)[C@@H](CN)c1ccc(OC)cc1OC ZINC000038827642 174157328 /nfs/dbraw/zinc/15/73/28/174157328.db2.gz JJODTCTZKIHSFE-HNNXBMFYSA-N 1 1 280.412 2.826 10 0 CFAEMO C[NH+](C)Cc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000039123783 174163736 /nfs/dbraw/zinc/16/37/36/174163736.db2.gz FMAPATNJTVVFFU-UHFFFAOYSA-N 1 1 257.359 2.552 10 0 CFAEMO COc1ccccc1[C@@H](CN)[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000039789064 174172937 /nfs/dbraw/zinc/17/29/37/174172937.db2.gz PXJKIGJDTOGSFR-VNHYZAJKSA-N 1 1 262.397 2.958 10 0 CFAEMO COc1ccccc1[C@@H](CN)[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000039789064 174172939 /nfs/dbraw/zinc/17/29/39/174172939.db2.gz PXJKIGJDTOGSFR-VNHYZAJKSA-N 1 1 262.397 2.958 10 0 CFAEMO COc1ccc([C@@H](CN)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000039789163 174173688 /nfs/dbraw/zinc/17/36/88/174173688.db2.gz FLZDUEPXVIBJSK-VNHYZAJKSA-N 1 1 292.423 2.682 10 0 CFAEMO COc1ccc([C@@H](CN)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000039789163 174173690 /nfs/dbraw/zinc/17/36/90/174173690.db2.gz FLZDUEPXVIBJSK-VNHYZAJKSA-N 1 1 292.423 2.682 10 0 CFAEMO CCn1c2ccccc2nc1CN[C@H]1CCC[N@H+](CC)C1 ZINC000040503014 174299953 /nfs/dbraw/zinc/29/99/53/174299953.db2.gz KIGJGLXFTKCMNI-AWEZNQCLSA-N 1 1 286.423 2.630 10 0 CFAEMO CCn1c2ccccc2nc1CN[C@H]1CCC[N@@H+](CC)C1 ZINC000040503014 174299955 /nfs/dbraw/zinc/29/99/55/174299955.db2.gz KIGJGLXFTKCMNI-AWEZNQCLSA-N 1 1 286.423 2.630 10 0 CFAEMO CC[C@@H](C)N(C)c1[nH+]c(C)cc(C)c1C(N)=S ZINC000040510233 174304243 /nfs/dbraw/zinc/30/42/43/174304243.db2.gz SADCGSMBOJZYML-SNVBAGLBSA-N 1 1 251.399 2.567 10 0 CFAEMO C[NH2+]C[C@H]1CCCN([C@@H](C)c2cc(C)oc2C)C1 ZINC000040593181 174347403 /nfs/dbraw/zinc/34/74/03/174347403.db2.gz LGAPEYLXWSUFOZ-GXTWGEPZSA-N 1 1 250.386 2.889 10 0 CFAEMO Cc1ccc([C@@H](C)NC[C@@H]2CC[N@H+](C(C)C)C2)o1 ZINC000040621503 174354731 /nfs/dbraw/zinc/35/47/31/174354731.db2.gz HLXNLOZHPFUONW-KGLIPLIRSA-N 1 1 250.386 2.969 10 0 CFAEMO C[C@H]1C[N@H+](Cc2cc3ccccc3cc2N)CCO1 ZINC000040638319 174362727 /nfs/dbraw/zinc/36/27/27/174362727.db2.gz BSEONVGZEKRQDC-LBPRGKRZSA-N 1 1 256.349 2.643 10 0 CFAEMO C[C@H]1C[N@@H+](Cc2cc3ccccc3cc2N)CCO1 ZINC000040638319 174362728 /nfs/dbraw/zinc/36/27/28/174362728.db2.gz BSEONVGZEKRQDC-LBPRGKRZSA-N 1 1 256.349 2.643 10 0 CFAEMO C[N@@H+]1CCC[C@H](Nc2c(F)c(F)c(F)c(F)c2F)C1 ZINC000040673521 174371827 /nfs/dbraw/zinc/37/18/27/174371827.db2.gz GISCRNZQKVIPIW-LURJTMIESA-N 1 1 280.240 2.888 10 0 CFAEMO C[N@H+]1CCC[C@H](Nc2c(F)c(F)c(F)c(F)c2F)C1 ZINC000040673521 174371829 /nfs/dbraw/zinc/37/18/29/174371829.db2.gz GISCRNZQKVIPIW-LURJTMIESA-N 1 1 280.240 2.888 10 0 CFAEMO C[N@H+]1CCC[C@H](Nc2ncc(Cl)cc2Cl)C1 ZINC000040673539 174371872 /nfs/dbraw/zinc/37/18/72/174371872.db2.gz MYTWGYCICYGGLE-VIFPVBQESA-N 1 1 260.168 2.895 10 0 CFAEMO CCOC1CCN([C@@H]2CCCc3ccccc3[C@@H]2[NH3+])CC1 ZINC000040689284 174376446 /nfs/dbraw/zinc/37/64/46/174376446.db2.gz BFVZGAKYBNLVDN-MSOLQXFVSA-N 1 1 288.435 2.892 10 0 CFAEMO Cc1c(N)cccc1NC(=O)CCC[N@@H+]1CC[C@H](C)C1 ZINC000040716900 174384010 /nfs/dbraw/zinc/38/40/10/174384010.db2.gz USTSBFDCNYXRIG-LBPRGKRZSA-N 1 1 275.396 2.638 10 0 CFAEMO C[C@@H](C(=O)Nc1ccc(Cl)cc1N)[N@H+]1CC[C@@H](C)C1 ZINC000040716848 174384289 /nfs/dbraw/zinc/38/42/89/174384289.db2.gz SQXJXKFHJMRHGE-ZJUUUORDSA-N 1 1 281.787 2.591 10 0 CFAEMO CN(C)c1nc[nH+]c(NC23CC4CC(CC(C4)C2)C3)c1N ZINC000040723451 174386064 /nfs/dbraw/zinc/38/60/64/174386064.db2.gz WGTSGPLEONNVIO-UHFFFAOYSA-N 1 1 287.411 2.506 10 0 CFAEMO CN(C)c1[nH+]cnc(NC23CC4CC(CC(C4)C2)C3)c1N ZINC000040723451 174386065 /nfs/dbraw/zinc/38/60/65/174386065.db2.gz WGTSGPLEONNVIO-UHFFFAOYSA-N 1 1 287.411 2.506 10 0 CFAEMO Cc1cc(CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(C)c1O ZINC000040746590 174392081 /nfs/dbraw/zinc/39/20/81/174392081.db2.gz VIXUPERFGCEVHF-XYPWUTKMSA-N 1 1 274.408 2.724 10 0 CFAEMO CCN(Cc1cccs1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747492 174392665 /nfs/dbraw/zinc/39/26/65/174392665.db2.gz ZTUCFPRIHVUEPO-FUNVUKJBSA-N 1 1 250.411 2.853 10 0 CFAEMO CCN(Cc1ccsc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747431 174392677 /nfs/dbraw/zinc/39/26/77/174392677.db2.gz LYBWZRJTQGKFHZ-PBWFPOADSA-N 1 1 250.411 2.853 10 0 CFAEMO CCCN(Cc1cccnc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747626 174392819 /nfs/dbraw/zinc/39/28/19/174392819.db2.gz WUTVHTWTMCQRMJ-XYPWUTKMSA-N 1 1 259.397 2.577 10 0 CFAEMO CC(C)N1C[C@H]2CCC[C@@H](C1)C2[NH2+]C[C@@H]1CCCOC1 ZINC000040769314 174399394 /nfs/dbraw/zinc/39/93/94/174399394.db2.gz AWOLYJOUSKVJRB-PMRDEQMMSA-N 1 1 280.456 2.512 10 0 CFAEMO C[C@@H](CN1CCCC1)[NH2+]Cc1ccccc1Cl ZINC000042371993 174701793 /nfs/dbraw/zinc/70/17/93/174701793.db2.gz BASYKRJQHRIFOU-LBPRGKRZSA-N 1 1 252.789 2.914 10 0 CFAEMO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@H](O)CN1CCCCC1 ZINC000247301759 287295723 /nfs/dbraw/zinc/29/57/23/287295723.db2.gz ZSFKEYNLUUPEAY-WCXIOVBPSA-N 1 1 282.472 2.638 10 0 CFAEMO CC[C@@H](N)[C@@H](c1ccco1)[N@H+](CCO)C1CCCCC1 ZINC000043336138 175012291 /nfs/dbraw/zinc/01/22/91/175012291.db2.gz PGHXHFBQXRWWKS-ZBFHGGJFSA-N 1 1 280.412 2.685 10 0 CFAEMO CC[C@@H](N)[C@@H](c1ccco1)[N@@H+](CCO)C1CCCCC1 ZINC000043336138 175012292 /nfs/dbraw/zinc/01/22/92/175012292.db2.gz PGHXHFBQXRWWKS-ZBFHGGJFSA-N 1 1 280.412 2.685 10 0 CFAEMO CC[C@H](N)[C@H](c1ccccn1)[NH+]1CCC(CC)CC1 ZINC000043339930 175013719 /nfs/dbraw/zinc/01/37/19/175013719.db2.gz QHNMVMKXZIXVKB-GOEBONIOSA-N 1 1 261.413 2.982 10 0 CFAEMO CC[C@H](N)[C@@H](c1ccccn1)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043341031 175015419 /nfs/dbraw/zinc/01/54/19/175015419.db2.gz CXDMHOHIOLKEGY-QRTARXTBSA-N 1 1 291.439 2.607 10 0 CFAEMO CC[C@H](N)[C@@H](c1ccccn1)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043341031 175015421 /nfs/dbraw/zinc/01/54/21/175015421.db2.gz CXDMHOHIOLKEGY-QRTARXTBSA-N 1 1 291.439 2.607 10 0 CFAEMO CC[C@@H](N)[C@@H](c1ccncc1)[N@@H+](CC1CC1)C(C)C ZINC000043354688 175022115 /nfs/dbraw/zinc/02/21/15/175022115.db2.gz XIALQTHABFAVQM-HZPDHXFCSA-N 1 1 261.413 2.980 10 0 CFAEMO CC[C@@H]([NH3+])[C@@H](c1ccncc1)N(CC1CC1)C(C)C ZINC000043354688 175022116 /nfs/dbraw/zinc/02/21/16/175022116.db2.gz XIALQTHABFAVQM-HZPDHXFCSA-N 1 1 261.413 2.980 10 0 CFAEMO Cc1ccc([C@H]([C@H](C)N)[N@H+](CCO)C2CCCCC2)o1 ZINC000043365193 175026064 /nfs/dbraw/zinc/02/60/64/175026064.db2.gz SDCWMOUTEISNBD-BBRMVZONSA-N 1 1 280.412 2.603 10 0 CFAEMO Cc1ccc([C@H]([C@H](C)N)[N@@H+](CCO)C2CCCCC2)o1 ZINC000043365193 175026065 /nfs/dbraw/zinc/02/60/65/175026065.db2.gz SDCWMOUTEISNBD-BBRMVZONSA-N 1 1 280.412 2.603 10 0 CFAEMO CCC[C@@H]([NH3+])c1nc(-c2cc(F)cc(F)c2)no1 ZINC000043387352 175032394 /nfs/dbraw/zinc/03/23/94/175032394.db2.gz CVLZYIGGVPQJLG-SNVBAGLBSA-N 1 1 253.252 2.815 10 0 CFAEMO CC[C@H]([NH3+])c1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000043391609 175034334 /nfs/dbraw/zinc/03/43/34/175034334.db2.gz JEYHJSBAYXIQSN-QMMMGPOBSA-N 1 1 257.215 2.564 10 0 CFAEMO Nc1cccc(OCCC[N@H+]2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000043423988 175039871 /nfs/dbraw/zinc/03/98/71/175039871.db2.gz WEWHUNFADRFIEW-DLBZAZTESA-N 1 1 290.407 2.681 10 0 CFAEMO [NH3+]CC1([N@@H+]2CCO[C@@H]3CCCC[C@@H]32)CCCCCC1 ZINC000043424911 175039987 /nfs/dbraw/zinc/03/99/87/175039987.db2.gz MRHXOJUKLDSVNB-LSDHHAIUSA-N 1 1 266.429 2.682 10 0 CFAEMO NCC1([N@@H+]2CCO[C@@H]3CCCC[C@@H]32)CCCCCC1 ZINC000043424911 175039991 /nfs/dbraw/zinc/03/99/91/175039991.db2.gz MRHXOJUKLDSVNB-LSDHHAIUSA-N 1 1 266.429 2.682 10 0 CFAEMO NCC1([N@H+]2CCO[C@@H]3CCCC[C@@H]32)CCCCCC1 ZINC000043424911 175039992 /nfs/dbraw/zinc/03/99/92/175039992.db2.gz MRHXOJUKLDSVNB-LSDHHAIUSA-N 1 1 266.429 2.682 10 0 CFAEMO Cc1ccc([C@H](O)C[N@H+](C)C[C@@H]2CCCCO2)cc1C ZINC000043511803 175060794 /nfs/dbraw/zinc/06/07/94/175060794.db2.gz CHVPGTVZAAGYOR-DLBZAZTESA-N 1 1 277.408 2.838 10 0 CFAEMO CC[C@@H](C(N)=S)[N@@H+](Cc1cccs1)C1CC1 ZINC000043540314 175063975 /nfs/dbraw/zinc/06/39/75/175063975.db2.gz FSQKOCKGCWNIDX-NSHDSACASA-N 1 1 254.424 2.777 10 0 CFAEMO CC[NH2+][C@H](c1nccn1C)c1ccc(Cl)cc1OC ZINC000043566192 175066967 /nfs/dbraw/zinc/06/69/67/175066967.db2.gz DZRSOWBODSSRIK-ZDUSSCGKSA-N 1 1 279.771 2.781 10 0 CFAEMO C[N@H+]1CCC[C@@H]1CCOc1ccc(N)cc1Br ZINC000043597786 175077340 /nfs/dbraw/zinc/07/73/40/175077340.db2.gz CJLIRNSRYXMVES-LLVKDONJSA-N 1 1 299.212 2.894 10 0 CFAEMO CC[NH2+][C@@H](c1ccco1)c1c(OC)cccc1OC ZINC000043608142 175078393 /nfs/dbraw/zinc/07/83/93/175078393.db2.gz SEDMKVVLTYYJBY-HNNXBMFYSA-N 1 1 261.321 2.996 10 0 CFAEMO COc1cc(OC)c([C@H]([NH3+])c2ccc(C)o2)cc1OC ZINC000043610120 175078547 /nfs/dbraw/zinc/07/85/47/175078547.db2.gz BJOCHTXSMBXVJV-HNNXBMFYSA-N 1 1 277.320 2.662 10 0 CFAEMO Cc1nn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(N)c1Cl ZINC000043667846 175086914 /nfs/dbraw/zinc/08/69/14/175086914.db2.gz BHAMDURXRWXNHE-CYBMUJFWSA-N 1 1 290.798 2.874 10 0 CFAEMO CCN[C@H](C[NH+]1CCCC1)c1cc(C)ccc1OC ZINC000043807435 175108326 /nfs/dbraw/zinc/10/83/26/175108326.db2.gz XSBZMECOKNGDAF-OAHLLOKOSA-N 1 1 262.397 2.750 10 0 CFAEMO CCN[C@@H](C[NH+]1CCCC1)c1cc(C)ccc1OC ZINC000043807433 175108425 /nfs/dbraw/zinc/10/84/25/175108425.db2.gz XSBZMECOKNGDAF-HNNXBMFYSA-N 1 1 262.397 2.750 10 0 CFAEMO CCC[NH2+][C@@H](c1ccccc1)[C@H](C)N1CCN(CC)CC1 ZINC000043806163 175108487 /nfs/dbraw/zinc/10/84/87/175108487.db2.gz STGMPLZMAHJTOU-FUHWJXTLSA-N 1 1 289.467 2.753 10 0 CFAEMO CCN[C@@H]1c2ccccc2C[C@@H]1[NH+]1CCC(C)CC1 ZINC000043806669 175108518 /nfs/dbraw/zinc/10/85/18/175108518.db2.gz CTDWTNKDIHMTTP-DLBZAZTESA-N 1 1 258.409 2.994 10 0 CFAEMO CCC[NH2+][C@@H](CN1CCN(C)CC1)c1ccc(C)c(C)c1 ZINC000043811051 175110169 /nfs/dbraw/zinc/11/01/69/175110169.db2.gz ITRISBVSYVQCQC-SFHVURJKSA-N 1 1 289.467 2.592 10 0 CFAEMO CCC[NH2+][C@H](c1ccc(C)cc1)[C@H](C)N1CCN(C)CC1 ZINC000043811028 175110452 /nfs/dbraw/zinc/11/04/52/175110452.db2.gz GUSXGEWZSFXLSW-WMZOPIPTSA-N 1 1 289.467 2.672 10 0 CFAEMO CN[C@H](C[NH+]1CCCCCC1)c1ccc(OC)cc1 ZINC000043812036 175110647 /nfs/dbraw/zinc/11/06/47/175110647.db2.gz CEFGBCAQWAFJCI-MRXNPFEDSA-N 1 1 262.397 2.832 10 0 CFAEMO CCOc1ccccc1[C@@H](C[N@H+](C)C(C)C)NC ZINC000043813177 175111115 /nfs/dbraw/zinc/11/11/15/175111115.db2.gz BYXNKGRTHGNAMD-CQSZACIVSA-N 1 1 250.386 2.686 10 0 CFAEMO CCOc1ccccc1[C@@H](C[N@@H+](C)C(C)C)NC ZINC000043813177 175111117 /nfs/dbraw/zinc/11/11/17/175111117.db2.gz BYXNKGRTHGNAMD-CQSZACIVSA-N 1 1 250.386 2.686 10 0 CFAEMO CC[N@@H+](C[C@H](NC)c1cc(OC)ccc1OC)C(C)C ZINC000043824098 175114727 /nfs/dbraw/zinc/11/47/27/175114727.db2.gz OCZUUHYHFFFPLM-HNNXBMFYSA-N 1 1 280.412 2.695 10 0 CFAEMO CCN(C[C@H]([NH2+]C)c1cc(OC)ccc1OC)C(C)C ZINC000043824098 175114728 /nfs/dbraw/zinc/11/47/28/175114728.db2.gz OCZUUHYHFFFPLM-HNNXBMFYSA-N 1 1 280.412 2.695 10 0 CFAEMO CN[C@@H](C[N@H+](C)C1CCCC1)c1ccc(OC)cc1 ZINC000043883621 175116119 /nfs/dbraw/zinc/11/61/19/175116119.db2.gz ZJKBWPZUDURSNE-INIZCTEOSA-N 1 1 262.397 2.830 10 0 CFAEMO CN[C@@H](C[N@@H+](C)C1CCCC1)c1ccc(OC)cc1 ZINC000043883621 175116120 /nfs/dbraw/zinc/11/61/20/175116120.db2.gz ZJKBWPZUDURSNE-INIZCTEOSA-N 1 1 262.397 2.830 10 0 CFAEMO CCN[C@@H](C[N@H+](CC)C(C)C)c1ccc2c(c1)OCCO2 ZINC000043882835 175116277 /nfs/dbraw/zinc/11/62/77/175116277.db2.gz UYJZAGOYISAXTO-HNNXBMFYSA-N 1 1 292.423 2.839 10 0 CFAEMO CCN[C@@H](C[N@@H+](CC)C(C)C)c1ccc2c(c1)OCCO2 ZINC000043882835 175116278 /nfs/dbraw/zinc/11/62/78/175116278.db2.gz UYJZAGOYISAXTO-HNNXBMFYSA-N 1 1 292.423 2.839 10 0 CFAEMO CCN[C@@H](c1ccccc1)[C@H](C)[N@H+](C)C1CCOCC1 ZINC000043898347 175120946 /nfs/dbraw/zinc/12/09/46/175120946.db2.gz DQNMAHSQFUABGI-WMLDXEAASA-N 1 1 276.424 2.837 10 0 CFAEMO CCN[C@@H](c1ccccc1)[C@H](C)[N@@H+](C)C1CCOCC1 ZINC000043898347 175120947 /nfs/dbraw/zinc/12/09/47/175120947.db2.gz DQNMAHSQFUABGI-WMLDXEAASA-N 1 1 276.424 2.837 10 0 CFAEMO CCN[C@@H](C[N@H+](C)CC1CC1)c1ccc(OC)c(OC)c1 ZINC000043906100 175122709 /nfs/dbraw/zinc/12/27/09/175122709.db2.gz BFZOAXFALOQCMV-HNNXBMFYSA-N 1 1 292.423 2.696 10 0 CFAEMO CCN[C@@H](C[N@@H+](C)CC1CC1)c1ccc(OC)c(OC)c1 ZINC000043906100 175122710 /nfs/dbraw/zinc/12/27/10/175122710.db2.gz BFZOAXFALOQCMV-HNNXBMFYSA-N 1 1 292.423 2.696 10 0 CFAEMO CCOc1ccccc1[C@@H](C[N@H+](C)CC1CC1)NC ZINC000043905391 175122875 /nfs/dbraw/zinc/12/28/75/175122875.db2.gz LHAFNQWBKXSKPA-OAHLLOKOSA-N 1 1 262.397 2.688 10 0 CFAEMO CCOc1ccccc1[C@@H](C[N@@H+](C)CC1CC1)NC ZINC000043905391 175122876 /nfs/dbraw/zinc/12/28/76/175122876.db2.gz LHAFNQWBKXSKPA-OAHLLOKOSA-N 1 1 262.397 2.688 10 0 CFAEMO CN[C@H](C[N@H+](C)CCC(C)C)c1cc(OC)ccc1OC ZINC000043914527 175124082 /nfs/dbraw/zinc/12/40/82/175124082.db2.gz YGHRLCDDAFMUEG-MRXNPFEDSA-N 1 1 294.439 2.942 10 0 CFAEMO CN[C@H](C[N@@H+](C)CCC(C)C)c1cc(OC)ccc1OC ZINC000043914527 175124084 /nfs/dbraw/zinc/12/40/84/175124084.db2.gz YGHRLCDDAFMUEG-MRXNPFEDSA-N 1 1 294.439 2.942 10 0 CFAEMO CCC1CC[NH+]([C@H]2Cc3ccccc3[C@H]2NC)CC1 ZINC000043913147 175124505 /nfs/dbraw/zinc/12/45/05/175124505.db2.gz DDPAAZJUXZUNRN-DLBZAZTESA-N 1 1 258.409 2.994 10 0 CFAEMO CCOc1ccc([C@@H](C)[NH2+]C)cc1CN(C)[C@@H](C)COC ZINC000043969149 175130567 /nfs/dbraw/zinc/13/05/67/175130567.db2.gz KXQRHFOWMLIIJP-UONOGXRCSA-N 1 1 294.439 2.832 10 0 CFAEMO CCCOc1ccc([C@H](O)C[N@H+]2CCC[C@@H]2C)cc1 ZINC000044113192 175141039 /nfs/dbraw/zinc/14/10/39/175141039.db2.gz DWWJPSWHSSLQJH-XJKSGUPXSA-N 1 1 263.381 2.993 10 0 CFAEMO CCOc1ccccc1[C@@H](O)C[N@H+]1CCC[C@@H]1CC ZINC000044112868 175141111 /nfs/dbraw/zinc/14/11/11/175141111.db2.gz XKLWCGFBCRGESM-ZFWWWQNUSA-N 1 1 263.381 2.993 10 0 CFAEMO C[C@@H]1C[N@@H+]([C@@H]2CCCc3ccccc3[C@@H]2O)C[C@H](C)O1 ZINC000044117341 175142137 /nfs/dbraw/zinc/14/21/37/175142137.db2.gz MHOLBLNZVBUCOW-GFOFROLCSA-N 1 1 275.392 2.534 10 0 CFAEMO Cc1ccc([C@@H](O)[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000044117240 175142351 /nfs/dbraw/zinc/14/23/51/175142351.db2.gz QGHNONIYWRTEIX-CTASWTNQSA-N 1 1 263.381 2.526 10 0 CFAEMO CC(C)[C@@H]([C@@H](O)c1ccccc1)[N@@H+](C)C1CCN(C)CC1 ZINC000044121151 175142932 /nfs/dbraw/zinc/14/29/32/175142932.db2.gz YGXZPORSFDTYNV-ROUUACIJSA-N 1 1 290.451 2.771 10 0 CFAEMO CCCC[N@@H+](C)C[C@@H](O)c1ccc(OCC)cc1 ZINC000044122795 175143415 /nfs/dbraw/zinc/14/34/15/175143415.db2.gz CWQZMYFKMJBMIS-OAHLLOKOSA-N 1 1 251.370 2.851 10 0 CFAEMO C[N@@H+](CCc1ccccn1)[C@@H]1CCc2ccccc2[C@@H]1O ZINC000044125686 175144049 /nfs/dbraw/zinc/14/40/49/175144049.db2.gz UEMFCILETORYIU-MSOLQXFVSA-N 1 1 282.387 2.604 10 0 CFAEMO Cc1ccc([C@@H](O)[C@@H](C)[N@@H+](C)CCc2ccccn2)cc1 ZINC000044125806 175144152 /nfs/dbraw/zinc/14/41/52/175144152.db2.gz VGPLKVAJPBHPAU-QAPCUYQASA-N 1 1 284.403 2.986 10 0 CFAEMO CC[N@@H+](C(C)C)[C@H]1CCc2cc(OC)ccc2[C@@H]1O ZINC000044128277 175144166 /nfs/dbraw/zinc/14/41/66/175144166.db2.gz NCVYUAJVBZOQCW-HOTGVXAUSA-N 1 1 263.381 2.774 10 0 CFAEMO CCC[N@@H+](CC)[C@H]1CCc2cc(OC)ccc2[C@@H]1O ZINC000044130442 175144725 /nfs/dbraw/zinc/14/47/25/175144725.db2.gz YGRXVRRZLQENSZ-HOTGVXAUSA-N 1 1 263.381 2.775 10 0 CFAEMO CCC[N@@H+](CC)C[C@H](O)c1ccccc1OCC ZINC000044130596 175144876 /nfs/dbraw/zinc/14/48/76/175144876.db2.gz DDAHBJSDKLCVJC-AWEZNQCLSA-N 1 1 251.370 2.851 10 0 CFAEMO CC(C)[C@H]([C@H](O)c1ccccc1)N1CCC([NH+](C)C)CC1 ZINC000044132973 175144895 /nfs/dbraw/zinc/14/48/95/175144895.db2.gz MJMNRBZGQLJEHH-QZTJIDSGSA-N 1 1 290.451 2.771 10 0 CFAEMO CC(C)[C@H]([C@H](O)c1ccccc1)[NH+]1CCC(N(C)C)CC1 ZINC000044132973 175144896 /nfs/dbraw/zinc/14/48/96/175144896.db2.gz MJMNRBZGQLJEHH-QZTJIDSGSA-N 1 1 290.451 2.771 10 0 CFAEMO Cc1ccc([C@@H](O)[C@H](C)[N@@H+](C)Cc2cccnc2)cc1 ZINC000044133978 175145266 /nfs/dbraw/zinc/14/52/66/175145266.db2.gz DDRKECAOLMELPU-YOEHRIQHSA-N 1 1 270.376 2.944 10 0 CFAEMO C[N@@H+](Cc1ccccn1)[C@@H]1CCCc2ccccc2[C@@H]1O ZINC000044133580 175145367 /nfs/dbraw/zinc/14/53/67/175145367.db2.gz ORPAUIDQNGWEHF-MSOLQXFVSA-N 1 1 282.387 2.952 10 0 CFAEMO O[C@H]1CCCCC[C@@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000044162302 175147306 /nfs/dbraw/zinc/14/73/06/175147306.db2.gz SLEIYQBAVQAUOF-IRXDYDNUSA-N 1 1 280.456 2.630 10 0 CFAEMO C[C@H]([C@@H](O)c1ccccc1)[N@@H+](C)CCc1ccncc1 ZINC000044161009 175147560 /nfs/dbraw/zinc/14/75/60/175147560.db2.gz WOAXOROIRLSBGR-RHSMWYFYSA-N 1 1 270.376 2.678 10 0 CFAEMO Cc1ccc([C@@H](O)[C@H](C)[N@@H+](C)C2CCOCC2)cc1 ZINC000044160212 175147670 /nfs/dbraw/zinc/14/76/70/175147670.db2.gz WUCQPVVHPUQKPN-BBRMVZONSA-N 1 1 263.381 2.528 10 0 CFAEMO CCc1ccc([C@@H](O)C[N@@H+](CCN(C)C)CC(C)C)cc1 ZINC000044164450 175147866 /nfs/dbraw/zinc/14/78/66/175147866.db2.gz CQDBUSJGTBVVAT-SFHVURJKSA-N 1 1 292.467 2.802 10 0 CFAEMO CCc1ccc([C@@H](O)CN(CC[NH+](C)C)CC(C)C)cc1 ZINC000044164450 175147867 /nfs/dbraw/zinc/14/78/67/175147867.db2.gz CQDBUSJGTBVVAT-SFHVURJKSA-N 1 1 292.467 2.802 10 0 CFAEMO Cc1ccc([C@H](O)[C@H](C)[N@@H+](C)C[C@@H]2CCCO2)cc1 ZINC000044171143 175148319 /nfs/dbraw/zinc/14/83/19/175148319.db2.gz PZSLOXCFAHIYRY-CWRNSKLLSA-N 1 1 263.381 2.528 10 0 CFAEMO CC[C@H]([C@H](O)c1ccccc1)[N@@H+](C)C[C@@H]1CCCO1 ZINC000044171025 175148477 /nfs/dbraw/zinc/14/84/77/175148477.db2.gz ZHAQGGLXMLRTRA-ARFHVFGLSA-N 1 1 263.381 2.609 10 0 CFAEMO CC(C)[C@H]([C@@H](O)c1ccccc1)[N@@H+](C)C[C@@H]1CCCO1 ZINC000044170933 175148668 /nfs/dbraw/zinc/14/86/68/175148668.db2.gz RMRWUQDMALNIJW-BBWFWOEESA-N 1 1 277.408 2.855 10 0 CFAEMO CCC[C@H](O)[C@H](CC)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000044173500 175149423 /nfs/dbraw/zinc/14/94/23/175149423.db2.gz BLLAGMNWBAICOX-QEJZJMRPSA-N 1 1 257.418 2.673 10 0 CFAEMO CC1CCC([N@@H+](C)[C@H]2COc3ccccc3[C@@H]2O)CC1 ZINC000044177998 175150894 /nfs/dbraw/zinc/15/08/94/175150894.db2.gz CYTFSMBIYVWCEF-ITMHDFIRSA-N 1 1 275.392 2.992 10 0 CFAEMO CCc1[nH+]ccn1[C@@H]1CCc2cc(OC)ccc2[C@H]1O ZINC000044189567 175152961 /nfs/dbraw/zinc/15/29/61/175152961.db2.gz NUNINBLHQVXJJJ-GDBMZVCRSA-N 1 1 272.348 2.675 10 0 CFAEMO CCc1[nH+]ccn1Cc1cc([C@@H](C)O)ccc1OC ZINC000044189518 175153206 /nfs/dbraw/zinc/15/32/06/175153206.db2.gz DRKGJKRLSNRWSP-LLVKDONJSA-N 1 1 260.337 2.556 10 0 CFAEMO CSCc1ccc(CNC[C@@H]2CCC[N@@H+](C)C2)o1 ZINC000044533015 175196437 /nfs/dbraw/zinc/19/64/37/175196437.db2.gz SANCOMSCCURLRJ-LBPRGKRZSA-N 1 1 268.426 2.574 10 0 CFAEMO C[N@H+]1CCC[C@H](CNCc2nc3ccccc3s2)C1 ZINC000044536066 175199232 /nfs/dbraw/zinc/19/92/32/175199232.db2.gz REABBUZTNGLTQQ-GFCCVEGCSA-N 1 1 275.421 2.728 10 0 CFAEMO CCOc1cccc(CNC[C@@H]2CCCC[N@@H+]2C)c1OC ZINC000044561103 175205111 /nfs/dbraw/zinc/20/51/11/175205111.db2.gz PJCWDWHGIYVVCH-HNNXBMFYSA-N 1 1 292.423 2.668 10 0 CFAEMO CCOc1cccc(CNC[C@@H]2CCCC[N@H+]2C)c1OC ZINC000044561103 175205113 /nfs/dbraw/zinc/20/51/13/175205113.db2.gz PJCWDWHGIYVVCH-HNNXBMFYSA-N 1 1 292.423 2.668 10 0 CFAEMO COc1ccccc1[C@@H](C)NC[C@H]1CCCC[N@@H+]1C ZINC000044561724 175205234 /nfs/dbraw/zinc/20/52/34/175205234.db2.gz PYQKEZRDFUPXDZ-ZIAGYGMSSA-N 1 1 262.397 2.830 10 0 CFAEMO COc1ccccc1[C@@H](C)NC[C@H]1CCCC[N@H+]1C ZINC000044561724 175205235 /nfs/dbraw/zinc/20/52/35/175205235.db2.gz PYQKEZRDFUPXDZ-ZIAGYGMSSA-N 1 1 262.397 2.830 10 0 CFAEMO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+][C@@H]1C[C@@H]1c1ccccc1 ZINC000044675282 175227033 /nfs/dbraw/zinc/22/70/33/175227033.db2.gz LVRCQABQDJYNTE-PEHHYFEISA-N 1 1 258.409 2.861 10 0 CFAEMO Cc1[nH+]ccn1CCOc1ccc2c(c1)CCCC2=O ZINC000044745909 175242121 /nfs/dbraw/zinc/24/21/21/175242121.db2.gz UCYYNKFUPYDPHX-UHFFFAOYSA-N 1 1 270.332 2.790 10 0 CFAEMO Oc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000044747330 175243291 /nfs/dbraw/zinc/24/32/91/175243291.db2.gz FBPSHUPMWPDWEY-UGSOOPFHSA-N 1 1 286.419 2.844 10 0 CFAEMO CNC(=O)CC[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000044988196 175284907 /nfs/dbraw/zinc/28/49/07/175284907.db2.gz NKLRMHGLSDECDG-SSDOTTSWSA-N 1 1 293.169 2.919 10 0 CFAEMO COCC[C@@](C)(C[NH3+])N1CCC(Cc2ccccc2)CC1 ZINC000045043161 175295012 /nfs/dbraw/zinc/29/50/12/175295012.db2.gz MYFBWQFHIOKVNS-SFHVURJKSA-N 1 1 290.451 2.695 10 0 CFAEMO NC[C@@H](c1ccncc1)[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045067559 175300292 /nfs/dbraw/zinc/30/02/92/175300292.db2.gz MQLSWZIIDWZTND-CVEARBPZSA-N 1 1 259.397 2.736 10 0 CFAEMO [NH3+]C[C@@H](c1ccncc1)N1CCC[C@@H]1C1CCCC1 ZINC000045067559 175300294 /nfs/dbraw/zinc/30/02/94/175300294.db2.gz MQLSWZIIDWZTND-CVEARBPZSA-N 1 1 259.397 2.736 10 0 CFAEMO CC[C@@H](N)[C@@H](c1cnn(C)c1)[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045067064 175300394 /nfs/dbraw/zinc/30/03/94/175300394.db2.gz ZUCAUGAONHWLKF-BRWVUGGUSA-N 1 1 290.455 2.853 10 0 CFAEMO CC[C@@H]([NH3+])[C@@H](c1cnn(C)c1)N1CCC[C@@H]1C1CCCC1 ZINC000045067064 175300400 /nfs/dbraw/zinc/30/04/00/175300400.db2.gz ZUCAUGAONHWLKF-BRWVUGGUSA-N 1 1 290.455 2.853 10 0 CFAEMO COc1ccccc1C[C@@](C)(CN)[N@@H+](C)CC(C)(C)C ZINC000045070052 175300858 /nfs/dbraw/zinc/30/08/58/175300858.db2.gz DDLUABCNMPAIOL-KRWDZBQOSA-N 1 1 278.440 2.933 10 0 CFAEMO COc1ccccc1C[C@@](C)(C[NH3+])N(C)CC(C)(C)C ZINC000045070052 175300859 /nfs/dbraw/zinc/30/08/59/175300859.db2.gz DDLUABCNMPAIOL-KRWDZBQOSA-N 1 1 278.440 2.933 10 0 CFAEMO CCC[NH2+][C@@H]1CCOC[C@@H]1N1CCC[C@@H]1C1CCCC1 ZINC000045073393 175302398 /nfs/dbraw/zinc/30/23/98/175302398.db2.gz DCWOCMPKBJMCPL-ZACQAIPSSA-N 1 1 280.456 2.798 10 0 CFAEMO C[N@H+](CC(=O)c1ccc2c(c1)OCO2)CC(C)(C)C ZINC000045084715 175303548 /nfs/dbraw/zinc/30/35/48/175303548.db2.gz QVVMOPYJIHZTOB-UHFFFAOYSA-N 1 1 263.337 2.576 10 0 CFAEMO C[N@@H+](CC(=O)c1ccc2c(c1)OCO2)CC(C)(C)C ZINC000045084715 175303550 /nfs/dbraw/zinc/30/35/50/175303550.db2.gz QVVMOPYJIHZTOB-UHFFFAOYSA-N 1 1 263.337 2.576 10 0 CFAEMO CCC[N@@H+](CC(N)=S)Cc1cc(C)cc(C)c1 ZINC000045093446 175306880 /nfs/dbraw/zinc/30/68/80/175306880.db2.gz PAANOKGLWTWJRB-UHFFFAOYSA-N 1 1 250.411 2.802 10 0 CFAEMO CCC[N@@H+](CC(N)=S)Cc1cccc(Cl)c1 ZINC000045093504 175306975 /nfs/dbraw/zinc/30/69/75/175306975.db2.gz OUWAXOLERVGHMA-UHFFFAOYSA-N 1 1 256.802 2.838 10 0 CFAEMO CCC[N@@H+](CC(N)=S)Cc1ccc2ncccc2c1 ZINC000045093525 175307003 /nfs/dbraw/zinc/30/70/03/175307003.db2.gz QVTYFCLKTNALKZ-UHFFFAOYSA-N 1 1 273.405 2.733 10 0 CFAEMO C[C@@H](C(N)=S)[N@@H+](C)Cc1cccc2ccccc21 ZINC000045147108 175317339 /nfs/dbraw/zinc/31/73/39/175317339.db2.gz JJTWTQVVHGHMRU-NSHDSACASA-N 1 1 258.390 2.946 10 0 CFAEMO C[C@H](C(N)=S)[N@@H+](C)Cc1cccc2ccccc21 ZINC000045147109 175317363 /nfs/dbraw/zinc/31/73/63/175317363.db2.gz JJTWTQVVHGHMRU-LLVKDONJSA-N 1 1 258.390 2.946 10 0 CFAEMO Cc1nn(C)c(C)c1[C@H](C)N[C@@H](CC(C)C)C[NH+](C)C ZINC000045171305 175321085 /nfs/dbraw/zinc/32/10/85/175321085.db2.gz HYKZLHYFHCOFRH-WFASDCNBSA-N 1 1 280.460 2.664 10 0 CFAEMO CCCN[C@](C)(CC[N@@H+](CC)C1CCCCC1)C(=O)OC ZINC000045224158 175332175 /nfs/dbraw/zinc/33/21/75/175332175.db2.gz NJUMBUIXSLOBIA-QGZVFWFLSA-N 1 1 298.471 2.962 10 0 CFAEMO CCOC(=O)[C@@](C)(CC[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(C)C ZINC000045224716 175332997 /nfs/dbraw/zinc/33/29/97/175332997.db2.gz WWRIMDIASPFNLQ-HLLBOEOZSA-N 1 1 298.471 2.674 10 0 CFAEMO CCCN[C@@](C)(CC[N@@H+]1[C@H](C)CCC[C@@H]1C)C(=O)OC ZINC000045231943 175335727 /nfs/dbraw/zinc/33/57/27/175335727.db2.gz UECFCBJSJGAGAN-LZWOXQAQSA-N 1 1 284.444 2.571 10 0 CFAEMO CCCN[C@](C)(CC[N@H+]1CCCC[C@@H]1CC)C(=O)OC ZINC000045265985 175338979 /nfs/dbraw/zinc/33/89/79/175338979.db2.gz ARLDUIWIAPWLQF-GOEBONIOSA-N 1 1 284.444 2.572 10 0 CFAEMO CCOC(=O)[C@@](C)(CC[N@@H+](C)[C@@H](C)C(C)(C)C)NC1CC1 ZINC000045274865 175345171 /nfs/dbraw/zinc/34/51/71/175345171.db2.gz GZNZBYQTMMQTQQ-SUMWQHHRSA-N 1 1 298.471 2.817 10 0 CFAEMO CC(C)[NH2+][C@@](C)(CC[N@@H+](C)[C@@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000045276617 175346442 /nfs/dbraw/zinc/34/64/42/175346442.db2.gz DFKRQBLASLRCJA-FMKPAKJESA-N 1 1 284.444 2.728 10 0 CFAEMO C[C@](CC[N@H+]1CCC[C@@H]1C1CCCC1)([NH2+]C1CC1)C(=O)[O-] ZINC000045277399 175347117 /nfs/dbraw/zinc/34/71/17/175347117.db2.gz GFUWMBYXNBPSAQ-NVXWUHKLSA-N 1 1 294.439 2.626 10 0 CFAEMO CCOC(=O)[C@@](C)(C[N@@H+](CC)CC(CC)CC)NC1CC1 ZINC000045277811 175347602 /nfs/dbraw/zinc/34/76/02/175347602.db2.gz FTZYVDUZKWMYSK-QGZVFWFLSA-N 1 1 298.471 2.818 10 0 CFAEMO CCOC(=O)[C@](C)(C[N@@H+](C)C1CCC(C)CC1)NC(C)C ZINC000045280556 175349822 /nfs/dbraw/zinc/34/98/22/175349822.db2.gz BINZLKARYHQSGH-DQPZFDDXSA-N 1 1 298.471 2.817 10 0 CFAEMO CCCN[C@@](C)(CC[N@@H+](CC1CC1)C(C)C)C(=O)OCC ZINC000045281049 175350904 /nfs/dbraw/zinc/35/09/04/175350904.db2.gz LQWWKUQIWBURMM-KRWDZBQOSA-N 1 1 298.471 2.818 10 0 CFAEMO CCCN[C@](C)(CC[N@@H+](CC(C)C)C(C)C)C(=O)OC ZINC000045280773 175351064 /nfs/dbraw/zinc/35/10/64/175351064.db2.gz LJVDKAZOBYIMKQ-MRXNPFEDSA-N 1 1 286.460 2.674 10 0 CFAEMO CCOC(=O)[C@](C)(CC[N@@H+](C)CCC(C)C)NC(C)C ZINC000045281310 175352076 /nfs/dbraw/zinc/35/20/76/175352076.db2.gz LCVJPGNGKBEGJV-INIZCTEOSA-N 1 1 286.460 2.674 10 0 CFAEMO CCCC[N@@H+](C[C@](C)(NC(C)C)C(=O)OC)[C@@H](C)CC ZINC000045282566 175352451 /nfs/dbraw/zinc/35/24/51/175352451.db2.gz NFOIUCLRWONWIL-HOCLYGCPSA-N 1 1 286.460 2.817 10 0 CFAEMO CCC[NH2+][C@@](C)(CC[N@@H+](C)CC1CCCCC1)C(=O)[O-] ZINC000045281611 175353069 /nfs/dbraw/zinc/35/30/69/175353069.db2.gz OUDDEZAZAUJKOT-INIZCTEOSA-N 1 1 284.444 2.732 10 0 CFAEMO CCCC[N@@H+](C[C@@](C)(NC(C)C)C(=O)OC)[C@@H](C)CC ZINC000045282569 175353083 /nfs/dbraw/zinc/35/30/83/175353083.db2.gz NFOIUCLRWONWIL-GOEBONIOSA-N 1 1 286.460 2.817 10 0 CFAEMO CCCC[N@@H+](CC[C@@](C)(NC(C)C)C(N)=O)[C@@H](C)CC ZINC000045282672 175353346 /nfs/dbraw/zinc/35/33/46/175353346.db2.gz CJDKHDQCTMFNAX-GOEBONIOSA-N 1 1 285.476 2.519 10 0 CFAEMO CCN[C@@](C)(CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(=O)OCC ZINC000045373578 175364669 /nfs/dbraw/zinc/36/46/69/175364669.db2.gz WJYYBXHICTXQRO-UXLLHSPISA-N 1 1 298.471 2.676 10 0 CFAEMO CCC[NH2+][C@](C)(CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(=O)[O-] ZINC000045373235 175364714 /nfs/dbraw/zinc/36/47/14/175364714.db2.gz IMZTVLRISFANOR-HLLBOEOZSA-N 1 1 298.471 2.978 10 0 CFAEMO CC(C)[NH2+][C@@](C)(CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(=O)[O-] ZINC000045373246 175364737 /nfs/dbraw/zinc/36/47/37/175364737.db2.gz IHVIMHPIZAHVQD-UXLLHSPISA-N 1 1 298.471 2.976 10 0 CFAEMO CCCN[C@](C)(CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(=O)OC ZINC000045373613 175365450 /nfs/dbraw/zinc/36/54/50/175365450.db2.gz VKQVBZYECYXWGL-HLLBOEOZSA-N 1 1 298.471 2.676 10 0 CFAEMO COC(=O)[C@](C)(CCC[N@H+]1CCCC[C@@H]1C)NC(C)C ZINC000045376167 175366170 /nfs/dbraw/zinc/36/61/70/175366170.db2.gz NQFJUJWYDODTIU-HOCLYGCPSA-N 1 1 284.444 2.571 10 0 CFAEMO CCOC(=O)[C@@](C)(CCC[N@H+]1CCCC[C@@H]1C)NC1CC1 ZINC000045376178 175366656 /nfs/dbraw/zinc/36/66/56/175366656.db2.gz CSBWUJNNMHBKMI-WMLDXEAASA-N 1 1 296.455 2.715 10 0 CFAEMO CCC[NH+](CCC)CCCC[C@](C)(N)C(=O)OCC ZINC000045378506 175367593 /nfs/dbraw/zinc/36/75/93/175367593.db2.gz ORMPDQSASWKYKR-HNNXBMFYSA-N 1 1 272.433 2.559 10 0 CFAEMO CCN[C@@](C)(CCC[N@@H+]1[C@H](C)CCC[C@@H]1C)C(=O)OC ZINC000045379712 175368995 /nfs/dbraw/zinc/36/89/95/175368995.db2.gz LAXVJLZBYCIKTQ-LZWOXQAQSA-N 1 1 284.444 2.571 10 0 CFAEMO CCCC[NH+](CCCC)CCCC[C@@](C)(N)C(=O)OC ZINC000045380566 175369267 /nfs/dbraw/zinc/36/92/67/175369267.db2.gz FEROTBDGDACHTH-MRXNPFEDSA-N 1 1 286.460 2.949 10 0 CFAEMO CCCN[C@](C)(CCC[N@@H+](CC)C(C)C)C(=O)OCC ZINC000045383866 175370970 /nfs/dbraw/zinc/37/09/70/175370970.db2.gz ZMGLMPFHAWAHOJ-MRXNPFEDSA-N 1 1 286.460 2.818 10 0 CFAEMO CC[N@@H+](CCCC[C@@](C)([NH2+]C(C)C)C(=O)[O-])C(C)C ZINC000045383609 175371100 /nfs/dbraw/zinc/37/11/00/175371100.db2.gz AFHCFNPOXCOWNC-OAHLLOKOSA-N 1 1 272.433 2.728 10 0 CFAEMO CCC[N@@H+](CCCC[C@](C)([NH2+]C1CC1)C(=O)[O-])C(C)C ZINC000045385800 175371663 /nfs/dbraw/zinc/37/16/63/175371663.db2.gz OBAQCDXIHVIXCE-INIZCTEOSA-N 1 1 284.444 2.872 10 0 CFAEMO CCC[N@H+](CCCC[C@](C)(N)C(=O)OCC)C(C)C ZINC000045385815 175371714 /nfs/dbraw/zinc/37/17/14/175371714.db2.gz IVTFHGCZKAOLDZ-HNNXBMFYSA-N 1 1 272.433 2.558 10 0 CFAEMO CCC[N@@H+](CCCC[C@](C)(N)C(=O)OCC)C(C)C ZINC000045385815 175371715 /nfs/dbraw/zinc/37/17/15/175371715.db2.gz IVTFHGCZKAOLDZ-HNNXBMFYSA-N 1 1 272.433 2.558 10 0 CFAEMO CCN[C@@](C)(CCCC[N@@H+](CC)C1CC1)C(=O)OCC ZINC000045386374 175372890 /nfs/dbraw/zinc/37/28/90/175372890.db2.gz RGDQKHVYQWRBGE-INIZCTEOSA-N 1 1 284.444 2.572 10 0 CFAEMO CCCN[C@@](C)(CCC[N@@H+](CC)CCC)C(=O)OCC ZINC000045387106 175373333 /nfs/dbraw/zinc/37/33/33/175373333.db2.gz CHJQMFJIKCDCDQ-INIZCTEOSA-N 1 1 286.460 2.820 10 0 CFAEMO CCN[C@@](C)(CCCC[N@@H+](C)C(CC)CC)C(=O)OC ZINC000045391437 175374973 /nfs/dbraw/zinc/37/49/73/175374973.db2.gz WEEKYHAXDRIOTA-INIZCTEOSA-N 1 1 286.460 2.818 10 0 CFAEMO CCCN[C@@](C)(CCC[N@@H+](C)[C@@H](C)C(C)C)C(=O)OC ZINC000045392154 175375596 /nfs/dbraw/zinc/37/55/96/175375596.db2.gz KJNQVRHDICZMGJ-HOCLYGCPSA-N 1 1 286.460 2.674 10 0 CFAEMO CCN[C@](C)(CCCC[N@@H+](C)[C@@H](C)C(C)C)C(=O)OC ZINC000045391982 175375683 /nfs/dbraw/zinc/37/56/83/175375683.db2.gz YVAFWVNMBNCQON-GOEBONIOSA-N 1 1 286.460 2.674 10 0 CFAEMO CCOC(=O)[C@](C)(CCCC[N@H+]1CCC[C@@H](CC)C1)NC ZINC000045393368 175376337 /nfs/dbraw/zinc/37/63/37/175376337.db2.gz UBCSLVYKTFUFJH-WBVHZDCISA-N 1 1 298.471 2.820 10 0 CFAEMO CC[NH2+][C@@](C)(CCCC[N@H+]1CCC[C@@H](CC)C1)C(=O)[O-] ZINC000045393304 175376374 /nfs/dbraw/zinc/37/63/74/175376374.db2.gz VHWAACBPIHTXSB-ZBFHGGJFSA-N 1 1 284.444 2.732 10 0 CFAEMO CCN[C@@](C)(CCCC[N@H+]1CCC[C@@H](CC)C1)C(=O)OC ZINC000045393383 175376470 /nfs/dbraw/zinc/37/64/70/175376470.db2.gz QTMLSMNWZITERF-WBVHZDCISA-N 1 1 298.471 2.820 10 0 CFAEMO C[N@@H+](CCCC[C@](C)([NH3+])C(=O)[O-])C1CCCCCC1 ZINC000045419024 175377229 /nfs/dbraw/zinc/37/72/29/175377229.db2.gz ZTBAZYTYLATUHH-HNNXBMFYSA-N 1 1 270.417 2.613 10 0 CFAEMO Cc1ccccc1Nc1[nH+]c2ccccc2n1CC(N)=O ZINC000045918832 175386372 /nfs/dbraw/zinc/38/63/72/175386372.db2.gz 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CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccnc3ccccc23)C1 ZINC000111763517 347756145 /nfs/dbraw/zinc/75/61/45/347756145.db2.gz WAURJWDRSZJOPE-AWEZNQCLSA-N 1 1 269.392 2.666 10 0 CFAEMO CC(C)[N@H+](C)CCNCc1ccnc2ccccc12 ZINC000111728689 347756400 /nfs/dbraw/zinc/75/64/00/347756400.db2.gz CKPRQWWXECCAFJ-UHFFFAOYSA-N 1 1 257.381 2.665 10 0 CFAEMO CC(C)[N@@H+](C)CCNCc1ccnc2ccccc12 ZINC000111728689 347756402 /nfs/dbraw/zinc/75/64/02/347756402.db2.gz CKPRQWWXECCAFJ-UHFFFAOYSA-N 1 1 257.381 2.665 10 0 CFAEMO Nc1ccc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000116175915 347785129 /nfs/dbraw/zinc/78/51/29/347785129.db2.gz YRPUJOJAHFKBPB-QGZVFWFLSA-N 1 1 268.360 2.842 10 0 CFAEMO COc1ccccc1C[N@@H+](C)Cc1cccc(CCO)c1 ZINC000117155615 347791063 /nfs/dbraw/zinc/79/10/63/347791063.db2.gz DKXHIZNPJGARQF-UHFFFAOYSA-N 1 1 285.387 2.862 10 0 CFAEMO COc1ccc2c(c1)[C@@H](c1ccc(N)cc1)C[N@H+](C)CC2 ZINC000145832928 347944609 /nfs/dbraw/zinc/94/46/09/347944609.db2.gz LHFHTIGSEYMRAC-GOSISDBHSA-N 1 1 282.387 2.897 10 0 CFAEMO COC(=O)c1cc(N[C@H]2CCC[N@@H+](C)CC2)c(F)cc1F ZINC000086818279 179347663 /nfs/dbraw/zinc/34/76/63/179347663.db2.gz WRNAZRUWEPCUIJ-JTQLQIEISA-N 1 1 298.333 2.648 10 0 CFAEMO Cc1ccc(OC[C@@H](C)[NH2+][C@H]2CCCN(C)CC2)cc1 ZINC000086818855 179348229 /nfs/dbraw/zinc/34/82/29/179348229.db2.gz PVHSENGPMZWTFL-CVEARBPZSA-N 1 1 276.424 2.836 10 0 CFAEMO C[N@H+]1CCC[C@](N)(c2nc(C(C)(C)C)cs2)CC1 ZINC000086833623 179349227 /nfs/dbraw/zinc/34/92/27/179349227.db2.gz MCXVPWYIASRVEB-CQSZACIVSA-N 1 1 267.442 2.710 10 0 CFAEMO CN1CCC[C@]([NH3+])(c2nc(C(C)(C)C)cs2)CC1 ZINC000086833623 179349229 /nfs/dbraw/zinc/34/92/29/179349229.db2.gz MCXVPWYIASRVEB-CQSZACIVSA-N 1 1 267.442 2.710 10 0 CFAEMO Clc1cnc(NCc2cnc[nH]2)c(Br)c1 ZINC000162796333 348032062 /nfs/dbraw/zinc/03/20/62/348032062.db2.gz VRPOIUUFMLSUQU-UHFFFAOYSA-N 1 1 287.548 2.833 10 0 CFAEMO C[C@@H]([NH2+][C@@H]1CCCN(C)CC1)c1ccc(F)cc1 ZINC000086817212 179344325 /nfs/dbraw/zinc/34/43/25/179344325.db2.gz HPEJKIZAKWGUNP-IUODEOHRSA-N 1 1 250.361 2.961 10 0 CFAEMO c1nnc(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1CC1CC1 ZINC000169784123 348052664 /nfs/dbraw/zinc/05/26/64/348052664.db2.gz VIRNFXUDBXEQHJ-KRWDZBQOSA-N 1 1 296.418 2.753 10 0 CFAEMO CCC(=O)Nc1cccc(N[C@@H]2CCC[N@@H+](C)CC2)c1 ZINC000086817315 179345404 /nfs/dbraw/zinc/34/54/04/179345404.db2.gz JUFOXKXSBKTWTK-CYBMUJFWSA-N 1 1 275.396 2.931 10 0 CFAEMO C[N@H+]1CCC[C@@H](Nc2cc3c(cc2Cl)OCO3)CC1 ZINC000086817790 179345971 /nfs/dbraw/zinc/34/59/71/179345971.db2.gz MOOWJUBEQBJQHI-SNVBAGLBSA-N 1 1 282.771 2.965 10 0 CFAEMO C[N@H+]1CCC[C@H](Nc2ccccc2-n2cccn2)CC1 ZINC000086817977 179346037 /nfs/dbraw/zinc/34/60/37/179346037.db2.gz GIGOHIGXRQUKQU-AWEZNQCLSA-N 1 1 270.380 2.769 10 0 CFAEMO C[C@@H](N[C@@H]1CCC[N@@H+](C)CC1)c1ccccc1F ZINC000086818632 179346712 /nfs/dbraw/zinc/34/67/12/179346712.db2.gz CYCIRGFMGFTKAD-CHWSQXEVSA-N 1 1 250.361 2.961 10 0 CFAEMO C[C@@H]([NH2+][C@@H]1CCCN(C)CC1)c1ccccc1F ZINC000086818632 179346717 /nfs/dbraw/zinc/34/67/17/179346717.db2.gz CYCIRGFMGFTKAD-CHWSQXEVSA-N 1 1 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2.801 10 0 CFAEMO Cc1cc(OC[C@H](CC[NH3+])N(C)C)cc(C)c1Cl ZINC000020401685 171182343 /nfs/dbraw/zinc/18/23/43/171182343.db2.gz YVBDDIZOMAUGQS-LBPRGKRZSA-N 1 1 270.804 2.615 10 0 CFAEMO CC[N@H+]1CCc2nc(-c3cccc(O)c3)sc2C1 ZINC000020433004 171198072 /nfs/dbraw/zinc/19/80/72/171198072.db2.gz AFBCQDCBRMPTLC-UHFFFAOYSA-N 1 1 260.362 2.894 10 0 CFAEMO C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(F)cc1N ZINC000022152987 171360403 /nfs/dbraw/zinc/36/04/03/171360403.db2.gz VGDCJDBSHJCUPS-LLVKDONJSA-N 1 1 279.359 2.611 10 0 CFAEMO CC(C)[N@@H+](C)CC(=O)Nc1ccc(N)c(C(F)(F)F)c1 ZINC000022165207 171365804 /nfs/dbraw/zinc/36/58/04/171365804.db2.gz HJODCNARHSCZMX-UHFFFAOYSA-N 1 1 289.301 2.566 10 0 CFAEMO C[C@@H]1C[C@@H](C)C[NH+]([C@@H](CN)c2ccc(F)cc2)C1 ZINC000022165555 171365985 /nfs/dbraw/zinc/36/59/85/171365985.db2.gz DYFBOAAPWLENIQ-JMSVASOKSA-N 1 1 250.361 2.803 10 0 CFAEMO CC(C)[N@H+](C)[C@@H](CN)c1ccc(F)c(Br)c1 ZINC000022168480 171366607 /nfs/dbraw/zinc/36/66/07/171366607.db2.gz BXMISTFDHCRMIW-LBPRGKRZSA-N 1 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ZBDRYEUEYXDKSF-DZGCQCFKSA-N 1 1 262.397 2.960 10 0 CFAEMO CCOc1ccccc1[C@@H](CN)[N@H+]1CCCC[C@@H]1C ZINC000022216469 171375744 /nfs/dbraw/zinc/37/57/44/171375744.db2.gz ZBDRYEUEYXDKSF-DZGCQCFKSA-N 1 1 262.397 2.960 10 0 CFAEMO N[C@@H](C[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000022217058 171375900 /nfs/dbraw/zinc/37/59/00/171375900.db2.gz ZMKWHNKKMCVBDM-KRWDZBQOSA-N 1 1 252.361 2.745 10 0 CFAEMO N[C@@H](C[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000022217058 171375901 /nfs/dbraw/zinc/37/59/01/171375901.db2.gz ZMKWHNKKMCVBDM-KRWDZBQOSA-N 1 1 252.361 2.745 10 0 CFAEMO CCCOc1ccc([C@H](N)C[NH+](C)C)cc1OCCC ZINC000022565927 171391953 /nfs/dbraw/zinc/39/19/53/171391953.db2.gz SNOVOKBJYCUUMP-CQSZACIVSA-N 1 1 280.412 2.826 10 0 CFAEMO C[C@H]1[N@@H+](C)CC[C@]1(O)c1ccc2cc(F)ccc2c1 ZINC000034417795 171839158 /nfs/dbraw/zinc/83/91/58/171839158.db2.gz OBRNMJGKPYNZCC-BDJLRTHQSA-N 1 1 259.324 2.891 10 0 CFAEMO CC[N@H+]1CCC[C@@H]1CNc1nnc(C)c2ccccc21 ZINC000035121113 171990635 /nfs/dbraw/zinc/99/06/35/171990635.db2.gz JRWKYZZHPADPGG-CYBMUJFWSA-N 1 1 270.380 2.834 10 0 CFAEMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1)c1ccco1 ZINC000035139210 172007047 /nfs/dbraw/zinc/00/70/47/172007047.db2.gz IJXQRPQDVCAKSN-NEPJUHHUSA-N 1 1 258.321 2.957 10 0 CFAEMO COC(=O)[C@@H]([NH2+][C@@H](C)CCc1ccccc1)C(C)C ZINC000035346522 172138866 /nfs/dbraw/zinc/13/88/66/172138866.db2.gz GKZVXNCPERVESB-ZFWWWQNUSA-N 1 1 263.381 2.795 10 0 CFAEMO C[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1Br ZINC000035500351 172233792 /nfs/dbraw/zinc/23/37/92/172233792.db2.gz QDAGBNSXJKCUCC-GFCCVEGCSA-N 1 1 298.159 2.631 10 0 CFAEMO C[NH2+][C@H](c1ccoc1)c1cc2c(cc1Cl)NC(=O)C2 ZINC000035507023 172239852 /nfs/dbraw/zinc/23/98/52/172239852.db2.gz WJHZHOXDKUKABX-CQSZACIVSA-N 1 1 276.723 2.736 10 0 CFAEMO C[C@@H]([NH2+]Cc1nccn1C(F)F)c1ccncc1 ZINC000035693305 172362509 /nfs/dbraw/zinc/36/25/09/172362509.db2.gz CRTLKAAROWODCT-SECBINFHSA-N 1 1 252.268 2.524 10 0 CFAEMO CC[C@@H]1CC[C@@H](C[NH3+])[C@H](N(C)Cc2ccco2)C1 ZINC000035700791 172369343 /nfs/dbraw/zinc/36/93/43/172369343.db2.gz PMCGLVPFKSSKOS-VNHYZAJKSA-N 1 1 250.386 2.865 10 0 CFAEMO COc1ccc(N)cc1C[N@H+](C)Cc1ccsc1 ZINC000035718390 172372112 /nfs/dbraw/zinc/37/21/12/172372112.db2.gz IXMMVBUAJNQTOL-UHFFFAOYSA-N 1 1 262.378 2.971 10 0 CFAEMO COc1ccc(N)cc1C[N@@H+](C)Cc1ccsc1 ZINC000035718390 172372113 /nfs/dbraw/zinc/37/21/13/172372113.db2.gz IXMMVBUAJNQTOL-UHFFFAOYSA-N 1 1 262.378 2.971 10 0 CFAEMO CCOc1ccc2nc(SCCCC[NH3+])[nH]c2c1 ZINC000035722620 172378303 /nfs/dbraw/zinc/37/83/03/172378303.db2.gz IZWUHFNENMFDKW-UHFFFAOYSA-N 1 1 265.382 2.793 10 0 CFAEMO C[C@@H]([NH2+]Cc1cc(C(N)=O)ccc1F)c1cccs1 ZINC000035737069 172390716 /nfs/dbraw/zinc/39/07/16/172390716.db2.gz AZBNIHRMNMEBJN-SECBINFHSA-N 1 1 278.352 2.837 10 0 CFAEMO CCC[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(Cl)c(N)c1 ZINC000036789819 172708446 /nfs/dbraw/zinc/70/84/46/172708446.db2.gz FCXRAACRACIZSW-JTQLQIEISA-N 1 1 283.803 2.981 10 0 CFAEMO CCOc1ccc(N)cc1C[N@@H+](C)[C@@H]1CCSC1 ZINC000037174070 173008190 /nfs/dbraw/zinc/00/81/90/173008190.db2.gz LNKLNZQRDZCDET-CYBMUJFWSA-N 1 1 266.410 2.605 10 0 CFAEMO C[N@@H+]([C@@H]1CCSC1)C1(CN)CCCCCCC1 ZINC000037174601 173009740 /nfs/dbraw/zinc/00/97/40/173009740.db2.gz PUUKAAWEFUNBFE-CYBMUJFWSA-N 1 1 256.459 2.866 10 0 CFAEMO C[N@H+]1CCCC[C@H]1CCSc1ccc(N)cn1 ZINC000037191153 173020339 /nfs/dbraw/zinc/02/03/39/173020339.db2.gz AXVQAYHZHFMFAH-LBPRGKRZSA-N 1 1 251.399 2.630 10 0 CFAEMO CCC[N@H+]1CCC[C@@H]([C@@H](C)NCC(F)(F)F)C1 ZINC000037208467 173030649 /nfs/dbraw/zinc/03/06/49/173030649.db2.gz IWQGFHWAEWHRGL-GHMZBOCLSA-N 1 1 252.324 2.649 10 0 CFAEMO CCC[N@H+]1CCC[C@H]([C@@H](C)NCC(F)(F)F)C1 ZINC000037208466 173030652 /nfs/dbraw/zinc/03/06/52/173030652.db2.gz IWQGFHWAEWHRGL-MNOVXSKESA-N 1 1 252.324 2.649 10 0 CFAEMO C[C@H](C(=O)c1ccc(Cl)s1)N1CCC[N@@H+](C)CC1 ZINC000037333684 173135872 /nfs/dbraw/zinc/13/58/72/173135872.db2.gz SBUNDZWPZJZPQI-SNVBAGLBSA-N 1 1 286.828 2.610 10 0 CFAEMO COc1ccc(F)cc1C(=O)C[N@H+](C)CC(C)C ZINC000037335726 173136986 /nfs/dbraw/zinc/13/69/86/173136986.db2.gz NAEOKPXPCHKVJZ-UHFFFAOYSA-N 1 1 253.317 2.605 10 0 CFAEMO COc1ccc(F)cc1C(=O)C[N@@H+](C)CC(C)C ZINC000037335726 173136987 /nfs/dbraw/zinc/13/69/87/173136987.db2.gz NAEOKPXPCHKVJZ-UHFFFAOYSA-N 1 1 253.317 2.605 10 0 CFAEMO C[C@@H](C1CC1)[N@H+](C)CC(=O)c1ccc(F)cc1F ZINC000037338897 173140094 /nfs/dbraw/zinc/14/00/94/173140094.db2.gz CIWBLVXVVUUYOY-VIFPVBQESA-N 1 1 253.292 2.878 10 0 CFAEMO C[C@@H](C1CC1)[N@@H+](C)CC(=O)c1ccc(F)cc1F ZINC000037338897 173140097 /nfs/dbraw/zinc/14/00/97/173140097.db2.gz CIWBLVXVVUUYOY-VIFPVBQESA-N 1 1 253.292 2.878 10 0 CFAEMO COc1ccc(C(=O)[C@H](C)[N@@H+](C)[C@H](C)C2CC2)cc1 ZINC000037338902 173140149 /nfs/dbraw/zinc/14/01/49/173140149.db2.gz RYGVRPZJONBJRB-NEPJUHHUSA-N 1 1 261.365 2.997 10 0 CFAEMO COc1ccc(C(=O)C[N@@H+](C)[C@@H](C)C(C)C)cc1F ZINC000037339054 173140317 /nfs/dbraw/zinc/14/03/17/173140317.db2.gz KAIRHKJTTVXEBT-NSHDSACASA-N 1 1 267.344 2.993 10 0 CFAEMO CCC(CC)[N@@H+](C)CC(=O)c1cc(C)n(C)c1C ZINC000037339196 173140797 /nfs/dbraw/zinc/14/07/97/173140797.db2.gz IRHGRHTWFDKKIP-UHFFFAOYSA-N 1 1 250.386 2.945 10 0 CFAEMO Cc1[nH+]ccn1CC(=O)c1ccc(Br)s1 ZINC000037340666 173142300 /nfs/dbraw/zinc/14/23/00/173142300.db2.gz XUDNWHYYFZGCOX-UHFFFAOYSA-N 1 1 285.166 2.898 10 0 CFAEMO CCC[C@H](C)N(C)[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037363880 173152785 /nfs/dbraw/zinc/15/27/85/173152785.db2.gz JXHSYWJYIDUHEC-WFASDCNBSA-N 1 1 262.397 2.742 10 0 CFAEMO CCC[C@H](C)[N@@H+](C)[C@@H](CN)c1ccc2c(c1)CCO2 ZINC000037363880 173152782 /nfs/dbraw/zinc/15/27/82/173152782.db2.gz JXHSYWJYIDUHEC-WFASDCNBSA-N 1 1 262.397 2.742 10 0 CFAEMO COC(C[NH2+]Cc1c(Cl)cccc1Cl)OC ZINC000037388255 173171799 /nfs/dbraw/zinc/17/17/99/173171799.db2.gz SCDAWFRGZWEOBH-UHFFFAOYSA-N 1 1 264.152 2.702 10 0 CFAEMO Brc1ccc2nc(C[NH2+]CC3CC3)[nH]c2c1 ZINC000037441176 173211140 /nfs/dbraw/zinc/21/11/40/173211140.db2.gz CEWKCWHEQJNXQZ-UHFFFAOYSA-N 1 1 280.169 2.825 10 0 CFAEMO C[C@@H]1C[N@@H+](C[C@@H]2CCCCC2(F)F)C[C@]1(C)CO 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CCC(=O)N1[C@@H]2CC[C@H]1C[N@@H+](C/C=C\c1ccccc1)C2 ZINC000038158054 174135366 /nfs/dbraw/zinc/13/53/66/174135366.db2.gz RKNSPEOBXHFNTD-IWDVQSJBSA-N 1 1 284.403 2.785 10 0 in-man CFAEMO CCC(=O)N1[C@@H]2CC[C@H]1C[N@H+](C/C=C\c1ccccc1)C2 ZINC000038158054 174135367 /nfs/dbraw/zinc/13/53/67/174135367.db2.gz RKNSPEOBXHFNTD-IWDVQSJBSA-N 1 1 284.403 2.785 10 0 in-man CFAEMO O=C(NC1CC1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038850075 174157988 /nfs/dbraw/zinc/15/79/88/174157988.db2.gz IHNRYCZDVQCKHP-CYBMUJFWSA-N 1 1 292.810 2.831 10 0 CFAEMO C[N@H+]1CCC[C@H]1CCOc1ccc(Cl)cc1N ZINC000040240439 174212799 /nfs/dbraw/zinc/21/27/99/174212799.db2.gz LMOBWOSHKMUNKB-NSHDSACASA-N 1 1 254.761 2.785 10 0 CFAEMO CC(=O)c1c(F)cccc1OCC[C@H]1CCC[N@@H+]1C ZINC000040240623 174213683 /nfs/dbraw/zinc/21/36/83/174213683.db2.gz TVEULDLTYMYGBN-GFCCVEGCSA-N 1 1 265.328 2.891 10 0 CFAEMO O[C@@H](Cc1[nH]cc[nH+]1)c1ccc(Cl)cc1Cl ZINC000040261364 174216949 /nfs/dbraw/zinc/21/69/49/174216949.db2.gz FAEIMRCVAUYBRH-JTQLQIEISA-N 1 1 257.120 2.993 10 0 CFAEMO O[C@H](Cc1[nH]cc[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000040261463 174217455 /nfs/dbraw/zinc/21/74/55/174217455.db2.gz YTDAEQVZYMTHMI-SNVBAGLBSA-N 1 1 256.227 2.705 10 0 CFAEMO COc1ccc(-c2nc([C@H]3CCCC[NH2+]3)no2)cc1 ZINC000040443355 174263417 /nfs/dbraw/zinc/26/34/17/174263417.db2.gz UVMJUYYIYVZHHU-GFCCVEGCSA-N 1 1 259.309 2.560 10 0 CFAEMO OCCN(c1cc[nH+]c2cc(Cl)ccc21)C1CC1 ZINC000040452686 174266850 /nfs/dbraw/zinc/26/68/50/174266850.db2.gz DRTOBABFDALBLP-UHFFFAOYSA-N 1 1 262.740 2.849 10 0 CFAEMO CC[N@H+]1CCC[C@H](N[C@@H](C)c2csc(C)n2)C1 ZINC000040502731 174299105 /nfs/dbraw/zinc/29/91/05/174299105.db2.gz PMVRETIHIMKZCM-JQWIXIFHSA-N 1 1 253.415 2.586 10 0 CFAEMO CCN1CCC[C@H]([NH2+][C@@H](C)c2csc(C)n2)C1 ZINC000040502731 174299106 /nfs/dbraw/zinc/29/91/06/174299106.db2.gz PMVRETIHIMKZCM-JQWIXIFHSA-N 1 1 253.415 2.586 10 0 CFAEMO CC[N@@H+]1CCC[C@@H](NCc2cc3ccccc3[nH]c2=O)C1 ZINC000040502560 174299195 /nfs/dbraw/zinc/29/91/95/174299195.db2.gz APKVRRPNXPWQLW-OAHLLOKOSA-N 1 1 285.391 2.514 10 0 CFAEMO CC[N@H+]1CCC[C@@H](NCc2cc3ccccc3[nH]c2=O)C1 ZINC000040502560 174299197 /nfs/dbraw/zinc/29/91/97/174299197.db2.gz APKVRRPNXPWQLW-OAHLLOKOSA-N 1 1 285.391 2.514 10 0 CFAEMO Cc1cc(C)c(C(N)=S)c(N(C)[C@@H](C)C(C)C)[nH+]1 ZINC000040510360 174304525 /nfs/dbraw/zinc/30/45/25/174304525.db2.gz MTOVEHWYYXRMEM-NSHDSACASA-N 1 1 265.426 2.813 10 0 CFAEMO CC(C)[N@@H+]1CC[C@@H](CN[C@@H](C)c2ccc(O)cc2)C1 ZINC000040621301 174355254 /nfs/dbraw/zinc/35/52/54/174355254.db2.gz MKUFQPTYUZSJJC-KBPBESRZSA-N 1 1 262.397 2.773 10 0 CFAEMO CC(C)[N@H+]1CC[C@@H](CN[C@@H](C)c2ccc(O)cc2)C1 ZINC000040621301 174355257 /nfs/dbraw/zinc/35/52/57/174355257.db2.gz MKUFQPTYUZSJJC-KBPBESRZSA-N 1 1 262.397 2.773 10 0 CFAEMO C[C@H]1COCC[N@@H+]1Cc1cc2ccccc2cc1N ZINC000040638374 174362840 /nfs/dbraw/zinc/36/28/40/174362840.db2.gz RQXSSGBCUUJXSH-LBPRGKRZSA-N 1 1 256.349 2.643 10 0 CFAEMO C[C@H]1COCC[N@H+]1Cc1cc2ccccc2cc1N ZINC000040638374 174362841 /nfs/dbraw/zinc/36/28/41/174362841.db2.gz RQXSSGBCUUJXSH-LBPRGKRZSA-N 1 1 256.349 2.643 10 0 CFAEMO CN(Cc1ccccc1)c1nc[nH+]c(NC(C)(C)C)c1N ZINC000040662048 174366008 /nfs/dbraw/zinc/36/60/08/174366008.db2.gz VJTFYLXZOHQTER-UHFFFAOYSA-N 1 1 285.395 2.906 10 0 CFAEMO c1ccc(CC[N@H+]2CC[C@H](Nc3cccnc3)C2)cc1 ZINC000040671114 174368934 /nfs/dbraw/zinc/36/89/34/174368934.db2.gz CWHSEEMJRABIOI-KRWDZBQOSA-N 1 1 267.376 2.811 10 0 CFAEMO C[C@H]([NH2+]C(C)(C)C(N)=O)c1ccc(Cl)cc1Cl ZINC000040674131 174372805 /nfs/dbraw/zinc/37/28/05/174372805.db2.gz OQIACDFJSXNFFK-ZETCQYMHSA-N 1 1 275.179 2.908 10 0 CFAEMO CCOC1CC[NH+]([C@H](CN)[C@@H](C)c2ccccc2)CC1 ZINC000040678617 174374723 /nfs/dbraw/zinc/37/47/23/174374723.db2.gz AENVVNDRRCJLLI-WMLDXEAASA-N 1 1 276.424 2.618 10 0 CFAEMO CCNc1[nH+]cnc(NCc2ccc(Cl)cc2)c1N ZINC000040707417 174379616 /nfs/dbraw/zinc/37/96/16/174379616.db2.gz RAYADQUJLOKLLA-UHFFFAOYSA-N 1 1 277.759 2.756 10 0 CFAEMO CCNc1nc[nH+]c(NCc2ccc(Cl)cc2)c1N ZINC000040707417 174379617 /nfs/dbraw/zinc/37/96/17/174379617.db2.gz RAYADQUJLOKLLA-UHFFFAOYSA-N 1 1 277.759 2.756 10 0 CFAEMO C[C@H]1CC[N@@H+](Cc2ccc(N)cc2Br)C1 ZINC000040716983 174384072 /nfs/dbraw/zinc/38/40/72/174384072.db2.gz XYCPARQSSPUOEB-VIFPVBQESA-N 1 1 269.186 2.873 10 0 CFAEMO C[C@H]1CC[N@@H+](CCCC(=O)Nc2ccc(N)cc2Cl)C1 ZINC000040716897 174384714 /nfs/dbraw/zinc/38/47/14/174384714.db2.gz LZZGDAWGOSCVAM-NSHDSACASA-N 1 1 295.814 2.983 10 0 CFAEMO CCN(CC)c1nc[nH+]c(NCc2ccc(F)cc2)c1N ZINC000040723338 174385819 /nfs/dbraw/zinc/38/58/19/174385819.db2.gz COTMOBZLMSWQQB-UHFFFAOYSA-N 1 1 289.358 2.656 10 0 CFAEMO C[C@@H](CCc1ccccc1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749030 174393553 /nfs/dbraw/zinc/39/35/53/174393553.db2.gz SSYOYMBBUCDKDE-LNRIEFBSSA-N 1 1 258.409 2.962 10 0 CFAEMO COc1ccccc1[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749357 174394138 /nfs/dbraw/zinc/39/41/38/174394138.db2.gz RLNDVIMFCJQSHZ-FUDCBSFHSA-N 1 1 260.381 2.710 10 0 CFAEMO COc1ccccc1[C@H](C)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749357 174394139 /nfs/dbraw/zinc/39/41/39/174394139.db2.gz RLNDVIMFCJQSHZ-FUDCBSFHSA-N 1 1 260.381 2.710 10 0 CFAEMO [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(F)c2cccnc12 ZINC000040750277 174395072 /nfs/dbraw/zinc/39/50/72/174395072.db2.gz BVUSRSQTHINEAE-AGUYFDCRSA-N 1 1 285.366 2.828 10 0 CFAEMO CCn1ccnc1[C@H]([NH3+])c1ccc(F)cc1Br ZINC000041109801 174481688 /nfs/dbraw/zinc/48/16/88/174481688.db2.gz GNHMUNWZVDHFLA-LLVKDONJSA-N 1 1 298.159 2.853 10 0 CFAEMO C[NH2+]C1(c2nc3c(s2)CCC3)CCN(C(C)C)CC1 ZINC000041187721 174507484 /nfs/dbraw/zinc/50/74/84/174507484.db2.gz IBAQJBWOUAUKDX-UHFFFAOYSA-N 1 1 279.453 2.551 10 0 CFAEMO COCC[N@@H+](CCNc1ccccc1)CC(C)C ZINC000042370823 174701304 /nfs/dbraw/zinc/70/13/04/174701304.db2.gz QFQAATIKPDZXEG-UHFFFAOYSA-N 1 1 250.386 2.703 10 0 CFAEMO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@@H](O)CN1CCCCC1 ZINC000247301737 287295633 /nfs/dbraw/zinc/29/56/33/287295633.db2.gz ZSFKEYNLUUPEAY-QBPKDAKJSA-N 1 1 282.472 2.638 10 0 CFAEMO C[C@@H](Cc1ccccc1Cl)[NH2+][C@@H]1CCCNC1 ZINC000043325850 175007681 /nfs/dbraw/zinc/00/76/81/175007681.db2.gz CYHHSSSCEAMPLG-WCQYABFASA-N 1 1 252.789 2.613 10 0 CFAEMO C[C@@H](N)[C@H](c1cccnc1)[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000043347705 175017706 /nfs/dbraw/zinc/01/77/06/175017706.db2.gz CSJFADQAETXIQY-RRCSTGOVSA-N 1 1 261.413 2.980 10 0 CFAEMO C[C@@H](N)[C@H](c1cccnc1)[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000043347705 175017707 /nfs/dbraw/zinc/01/77/07/175017707.db2.gz CSJFADQAETXIQY-RRCSTGOVSA-N 1 1 261.413 2.980 10 0 CFAEMO C[C@H](N)[C@@H](c1cccnc1)[N@H+](C)CC1CCCCC1 ZINC000043347686 175018054 /nfs/dbraw/zinc/01/80/54/175018054.db2.gz LVZXWSARYADATE-BBRMVZONSA-N 1 1 261.413 2.982 10 0 CFAEMO C[C@H](N)[C@@H](c1cccnc1)[N@@H+](C)CC1CCCCC1 ZINC000043347686 175018056 /nfs/dbraw/zinc/01/80/56/175018056.db2.gz LVZXWSARYADATE-BBRMVZONSA-N 1 1 261.413 2.982 10 0 CFAEMO CCC(CC)[N@@H+](CCOC)[C@H](c1cccnc1)[C@H](N)CC ZINC000043348485 175018755 /nfs/dbraw/zinc/01/87/55/175018755.db2.gz ORAKNGQSFAPEJT-IAGOWNOFSA-N 1 1 293.455 2.997 10 0 CFAEMO CCC(CC)[N@H+](CCOC)[C@H](c1cccnc1)[C@H](N)CC ZINC000043348485 175018756 /nfs/dbraw/zinc/01/87/56/175018756.db2.gz ORAKNGQSFAPEJT-IAGOWNOFSA-N 1 1 293.455 2.997 10 0 CFAEMO CCC(CC)[N@H+](CCOC)[C@H](c1cccnc1)[C@@H](C)N ZINC000043348481 175019013 /nfs/dbraw/zinc/01/90/13/175019013.db2.gz MHOKCEMDCYQRJB-CJNGLKHVSA-N 1 1 279.428 2.607 10 0 CFAEMO CCC(CC)[N@@H+](CCOC)[C@H](c1cccnc1)[C@@H](C)N ZINC000043348481 175019014 /nfs/dbraw/zinc/01/90/14/175019014.db2.gz MHOKCEMDCYQRJB-CJNGLKHVSA-N 1 1 279.428 2.607 10 0 CFAEMO CC[C@H](N)[C@H](c1ccc(C)o1)[N@@H+]1CCCC[C@@H]1CCO ZINC000043363840 175024521 /nfs/dbraw/zinc/02/45/21/175024521.db2.gz PJQYBULPDAETHE-IJEWVQPXSA-N 1 1 280.412 2.603 10 0 CFAEMO CC[C@H](N)[C@H](c1ccc(C)o1)[N@H+]1CCCC[C@@H]1CCO ZINC000043363840 175024523 /nfs/dbraw/zinc/02/45/23/175024523.db2.gz PJQYBULPDAETHE-IJEWVQPXSA-N 1 1 280.412 2.603 10 0 CFAEMO CC[C@H]([NH3+])[C@H](c1ccc(C)o1)N1CCN(C(C)(C)C)CC1 ZINC000043364758 175025334 /nfs/dbraw/zinc/02/53/34/175025334.db2.gz YATSNJFDUAGKNQ-GOEBONIOSA-N 1 1 293.455 2.783 10 0 CFAEMO CC[C@H](N)[C@H](c1ccc(C)o1)[N@H+](CCOC)CC(C)C ZINC000043364972 175025800 /nfs/dbraw/zinc/02/58/00/175025800.db2.gz DEVVVHZRKCOZPP-GOEBONIOSA-N 1 1 282.428 2.971 10 0 CFAEMO CC[C@H](N)[C@H](c1ccc(C)o1)[N@@H+](CCOC)CC(C)C ZINC000043364972 175025802 /nfs/dbraw/zinc/02/58/02/175025802.db2.gz DEVVVHZRKCOZPP-GOEBONIOSA-N 1 1 282.428 2.971 10 0 CFAEMO CC[C@H](N)[C@@H](c1ccc(C)o1)[N@H+](CCO)C1CCCC1 ZINC000043365204 175026529 /nfs/dbraw/zinc/02/65/29/175026529.db2.gz CAKOZXVYZWUHJO-HOCLYGCPSA-N 1 1 280.412 2.603 10 0 CFAEMO CC[C@H](N)[C@@H](c1ccc(C)o1)[N@@H+](CCO)C1CCCC1 ZINC000043365204 175026530 /nfs/dbraw/zinc/02/65/30/175026530.db2.gz CAKOZXVYZWUHJO-HOCLYGCPSA-N 1 1 280.412 2.603 10 0 CFAEMO Nc1ccc(F)cc1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000043424011 175040124 /nfs/dbraw/zinc/04/01/24/175040124.db2.gz SSAMQLHAXKBYIE-GJZGRUSLSA-N 1 1 264.344 2.551 10 0 CFAEMO Nc1ccc(F)cc1C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000043424011 175040125 /nfs/dbraw/zinc/04/01/25/175040125.db2.gz SSAMQLHAXKBYIE-GJZGRUSLSA-N 1 1 264.344 2.551 10 0 CFAEMO CC(C)[C@@H](CNCc1ccc(O)c(Cl)c1)[NH+](C)C ZINC000043477244 175054516 /nfs/dbraw/zinc/05/45/16/175054516.db2.gz CAKQDYUGWRXSEA-CYBMUJFWSA-N 1 1 270.804 2.721 10 0 CFAEMO C[C@@H](C[NH3+])CN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000043511974 175060506 /nfs/dbraw/zinc/06/05/06/175060506.db2.gz MNDRSDMZIIGTPD-JTQLQIEISA-N 1 1 260.303 2.732 10 0 CFAEMO C[NH2+][C@@H](c1ccc(C)o1)c1cc(OC)c(OC)cc1OC ZINC000043610500 175079067 /nfs/dbraw/zinc/07/90/67/175079067.db2.gz RYSOTDBUDIPDAW-MRXNPFEDSA-N 1 1 291.347 2.923 10 0 CFAEMO COc1cccc(OC)c1[C@@H]([NH3+])c1cc(C)oc1C ZINC000043611207 175079366 /nfs/dbraw/zinc/07/93/66/175079366.db2.gz LVCMTQNOJGVTPC-HNNXBMFYSA-N 1 1 261.321 2.962 10 0 CFAEMO CCOC(=O)[C@@H](C)C[N@H+]1CCc2sccc2[C@@H]1C ZINC000043615630 175079643 /nfs/dbraw/zinc/07/96/43/175079643.db2.gz NAISSLMVGVEPAE-QWRGUYRKSA-N 1 1 267.394 2.866 10 0 CFAEMO CCC[NH2+][C@H](CN1CCN(CC)CC1)c1ccccc1C ZINC000043806231 175108107 /nfs/dbraw/zinc/10/81/07/175108107.db2.gz MJXVGJPPHIASTI-GOSISDBHSA-N 1 1 289.467 2.673 10 0 CFAEMO CCN[C@@H](C[NH+]1CCCC1)c1ccccc1OCC ZINC000043807414 175108420 /nfs/dbraw/zinc/10/84/20/175108420.db2.gz XDWJKDCBHNPPFJ-HNNXBMFYSA-N 1 1 262.397 2.832 10 0 CFAEMO CCC[NH2+][C@H](c1ccccc1)[C@@H](CC)N1CCN(C)CC1 ZINC000043811069 175110400 /nfs/dbraw/zinc/11/04/00/175110400.db2.gz MMZZCIHYZVLKRV-QZTJIDSGSA-N 1 1 289.467 2.753 10 0 CFAEMO CCCC[N@H+](C)C[C@@H](NCC)c1ccc2c(c1)OCCO2 ZINC000043816965 175112140 /nfs/dbraw/zinc/11/21/40/175112140.db2.gz BXOLWXFLZQJNLI-OAHLLOKOSA-N 1 1 292.423 2.840 10 0 CFAEMO CCCC[N@@H+](C)C[C@@H](NCC)c1ccc2c(c1)OCCO2 ZINC000043816965 175112142 /nfs/dbraw/zinc/11/21/42/175112142.db2.gz BXOLWXFLZQJNLI-OAHLLOKOSA-N 1 1 292.423 2.840 10 0 CFAEMO CCCC[N@H+](C)C[C@H](NC)c1ccc(OC)c(OC)c1 ZINC000043816805 175112595 /nfs/dbraw/zinc/11/25/95/175112595.db2.gz SOCIJYTZORJSBG-AWEZNQCLSA-N 1 1 280.412 2.696 10 0 CFAEMO CCCC[N@@H+](C)C[C@H](NC)c1ccc(OC)c(OC)c1 ZINC000043816805 175112596 /nfs/dbraw/zinc/11/25/96/175112596.db2.gz SOCIJYTZORJSBG-AWEZNQCLSA-N 1 1 280.412 2.696 10 0 CFAEMO CCN[C@@H](C[N@H+](CC)C1CC1)c1ccc(OC)cc1OC ZINC000043821633 175114305 /nfs/dbraw/zinc/11/43/05/175114305.db2.gz IHAWIAWOHFWFKA-INIZCTEOSA-N 1 1 292.423 2.839 10 0 CFAEMO CCN[C@@H](C[N@@H+](CC)C1CC1)c1ccc(OC)cc1OC ZINC000043821633 175114307 /nfs/dbraw/zinc/11/43/07/175114307.db2.gz IHAWIAWOHFWFKA-INIZCTEOSA-N 1 1 292.423 2.839 10 0 CFAEMO CCN[C@@H](C[N@H+](CC)C(C)C)c1ccc2c(c1)OCO2 ZINC000043882819 175116302 /nfs/dbraw/zinc/11/63/02/175116302.db2.gz FGGUKFCNLRXRQA-AWEZNQCLSA-N 1 1 278.396 2.796 10 0 CFAEMO CCN[C@@H](C[N@@H+](CC)C(C)C)c1ccc2c(c1)OCO2 ZINC000043882819 175116303 /nfs/dbraw/zinc/11/63/03/175116303.db2.gz FGGUKFCNLRXRQA-AWEZNQCLSA-N 1 1 278.396 2.796 10 0 CFAEMO CCC[N@H+](C)C[C@H](NCC)c1ccccc1OC ZINC000043886061 175116684 /nfs/dbraw/zinc/11/66/84/175116684.db2.gz GRNVJGIABQEYMI-AWEZNQCLSA-N 1 1 250.386 2.688 10 0 CFAEMO CCC[N@@H+](C)C[C@H](NCC)c1ccccc1OC ZINC000043886061 175116685 /nfs/dbraw/zinc/11/66/85/175116685.db2.gz GRNVJGIABQEYMI-AWEZNQCLSA-N 1 1 250.386 2.688 10 0 CFAEMO CN[C@H](c1ccc(OC)cc1)[C@@H](C)[N@H+](C)CC(C)C ZINC000043886618 175116907 /nfs/dbraw/zinc/11/69/07/175116907.db2.gz LFXJIXQGNDZNRK-CJNGLKHVSA-N 1 1 264.413 2.932 10 0 CFAEMO CN[C@H](c1ccc(OC)cc1)[C@@H](C)[N@@H+](C)CC(C)C ZINC000043886618 175116909 /nfs/dbraw/zinc/11/69/09/175116909.db2.gz LFXJIXQGNDZNRK-CJNGLKHVSA-N 1 1 264.413 2.932 10 0 CFAEMO CN[C@H](C[N@H+](C)CC(C)C)c1cccc(OC)c1 ZINC000043886562 175116991 /nfs/dbraw/zinc/11/69/91/175116991.db2.gz SFEWBYDZNBRCNC-OAHLLOKOSA-N 1 1 250.386 2.544 10 0 CFAEMO CN[C@H](C[N@@H+](C)CC(C)C)c1cccc(OC)c1 ZINC000043886562 175116992 /nfs/dbraw/zinc/11/69/92/175116992.db2.gz SFEWBYDZNBRCNC-OAHLLOKOSA-N 1 1 250.386 2.544 10 0 CFAEMO CCN[C@@H](C[N@H+](C)CC(C)C)c1ccc(OC)cc1OC ZINC000043886737 175117560 /nfs/dbraw/zinc/11/75/60/175117560.db2.gz ZAZDVFKLDLYTQL-INIZCTEOSA-N 1 1 294.439 2.942 10 0 CFAEMO CCN[C@@H](C[N@@H+](C)CC(C)C)c1ccc(OC)cc1OC ZINC000043886737 175117562 /nfs/dbraw/zinc/11/75/62/175117562.db2.gz ZAZDVFKLDLYTQL-INIZCTEOSA-N 1 1 294.439 2.942 10 0 CFAEMO CC[C@@H]([C@@H](NC)c1ccccc1)[NH+]1CCC(OC)CC1 ZINC000043890079 175117834 /nfs/dbraw/zinc/11/78/34/175117834.db2.gz GAXAIUXWRRISIT-IRXDYDNUSA-N 1 1 276.424 2.837 10 0 CFAEMO CN[C@@H](C[NH+]1CCC(OC)CC1)c1cc2ccccc2o1 ZINC000043890082 175117880 /nfs/dbraw/zinc/11/78/80/175117880.db2.gz CYHBOPYIRMMMGB-HNNXBMFYSA-N 1 1 288.391 2.804 10 0 CFAEMO CCC(CC)[N@H+](C)[C@@H]1COc2ccccc2[C@@H]1NC ZINC000043895934 175119104 /nfs/dbraw/zinc/11/91/04/175119104.db2.gz QWALQNZSOBBRJW-ZBFHGGJFSA-N 1 1 262.397 2.829 10 0 CFAEMO CCC(CC)[N@@H+](C)[C@@H]1COc2ccccc2[C@@H]1NC ZINC000043895934 175119105 /nfs/dbraw/zinc/11/91/05/175119105.db2.gz QWALQNZSOBBRJW-ZBFHGGJFSA-N 1 1 262.397 2.829 10 0 CFAEMO CCC[NH2+][C@H]1CCC2(C[C@@H]1N(C)[C@@H](C)C(C)C)OCCO2 ZINC000043895736 175119469 /nfs/dbraw/zinc/11/94/69/175119469.db2.gz UUJRMYHILFZGKA-JYJNAYRXSA-N 1 1 298.471 2.627 10 0 CFAEMO CCC[NH2+][C@@H]1CCC2(C[C@@H]1N(C)C(CC)CC)OCCO2 ZINC000043896191 175119620 /nfs/dbraw/zinc/11/96/20/175119620.db2.gz NKSGOHAWPDTVMZ-CVEARBPZSA-N 1 1 298.471 2.771 10 0 CFAEMO CCN[C@H](c1ccccc1)[C@@H](C)[N@H+](C)C1CCOCC1 ZINC000043898345 175120961 /nfs/dbraw/zinc/12/09/61/175120961.db2.gz DQNMAHSQFUABGI-PBHICJAKSA-N 1 1 276.424 2.837 10 0 CFAEMO CCN[C@H](c1ccccc1)[C@@H](C)[N@@H+](C)C1CCOCC1 ZINC000043898345 175120962 /nfs/dbraw/zinc/12/09/62/175120962.db2.gz DQNMAHSQFUABGI-PBHICJAKSA-N 1 1 276.424 2.837 10 0 CFAEMO CN[C@@H]1CCC2(C[C@H]1[N@H+](C)C1CCCCCC1)OCCO2 ZINC000043899599 175121699 /nfs/dbraw/zinc/12/16/99/175121699.db2.gz BGLYWHBTLSIRBG-HZPDHXFCSA-N 1 1 296.455 2.525 10 0 CFAEMO CN[C@@H]1CCC2(C[C@H]1[N@@H+](C)C1CCCCCC1)OCCO2 ZINC000043899599 175121701 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C[N@@H+]1CCCC[C@@H]1CNCc1ccc2ccccc2n1 ZINC000044562692 175205761 /nfs/dbraw/zinc/20/57/61/175205761.db2.gz IZQFCPIRFXCCOG-MRXNPFEDSA-N 1 1 269.392 2.809 10 0 CFAEMO C[N@H+]1CCCC[C@@H]1CNCc1ccc2ccccc2n1 ZINC000044562692 175205762 /nfs/dbraw/zinc/20/57/62/175205762.db2.gz IZQFCPIRFXCCOG-MRXNPFEDSA-N 1 1 269.392 2.809 10 0 CFAEMO C[C@@H](NC[C@@H]1CCCC[N@@H+]1C)c1ccccc1F ZINC000044561918 175205873 /nfs/dbraw/zinc/20/58/73/175205873.db2.gz OSINVMSGHWORFR-OLZOCXBDSA-N 1 1 250.361 2.961 10 0 CFAEMO C[C@@H](NC[C@@H]1CCCC[N@H+]1C)c1ccccc1F ZINC000044561918 175205874 /nfs/dbraw/zinc/20/58/74/175205874.db2.gz OSINVMSGHWORFR-OLZOCXBDSA-N 1 1 250.361 2.961 10 0 CFAEMO C[N@H+]1CCCC[C@H]1CNc1ccc2scnc2c1N ZINC000044563614 175206518 /nfs/dbraw/zinc/20/65/18/175206518.db2.gz CFIVVNDFMZCSJU-JTQLQIEISA-N 1 1 276.409 2.775 10 0 CFAEMO Nc1cc(Br)ccc1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000044688979 175232608 /nfs/dbraw/zinc/23/26/08/175232608.db2.gz BAUZGNUKWVFUTN-JTQLQIEISA-N 1 1 296.212 2.680 10 0 CFAEMO S=C1N=NC(c2cccs2)N1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044726371 175238959 /nfs/dbraw/zinc/23/89/59/175238959.db2.gz QSUPXAOMHOIARN-SNVBAGLBSA-N 1 1 292.433 2.705 10 0 CFAEMO Oc1ccc2c(c1)CCC[C@@H]2NCCC[NH+]1CCCC1 ZINC000044746868 175242612 /nfs/dbraw/zinc/24/26/12/175242612.db2.gz QUKJMSKPXBBWRB-KRWDZBQOSA-N 1 1 274.408 2.845 10 0 CFAEMO CC[C@H](N)[C@H](c1cnn(C)c1)[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045067066 175299990 /nfs/dbraw/zinc/29/99/90/175299990.db2.gz ZUCAUGAONHWLKF-BBWFWOEESA-N 1 1 290.455 2.853 10 0 CFAEMO CC[C@H]([NH3+])[C@H](c1cnn(C)c1)N1CCC[C@@H]1C1CCCC1 ZINC000045067066 175299994 /nfs/dbraw/zinc/29/99/94/175299994.db2.gz ZUCAUGAONHWLKF-BBWFWOEESA-N 1 1 290.455 2.853 10 0 CFAEMO NCC1([N@H+]2CCC[C@H]2C2CCCC2)CCSCC1 ZINC000045071108 175301423 /nfs/dbraw/zinc/30/14/23/175301423.db2.gz KPPOSGPHLREXIE-AWEZNQCLSA-N 1 1 268.470 2.866 10 0 CFAEMO COc1cccc([C@@H](N)C[N@@H+](C)CC(C)(C)C)c1 ZINC000045072597 175301770 /nfs/dbraw/zinc/30/17/70/175301770.db2.gz MWYXNXLWHJDZHX-AWEZNQCLSA-N 1 1 250.386 2.673 10 0 CFAEMO COc1cccc([C@@H]([NH3+])CN(C)CC(C)(C)C)c1 ZINC000045072597 175301772 /nfs/dbraw/zinc/30/17/72/175301772.db2.gz MWYXNXLWHJDZHX-AWEZNQCLSA-N 1 1 250.386 2.673 10 0 CFAEMO Cn1ccc(C(=O)C[N@H+]2CCC[C@@H]2C2CCCC2)c1 ZINC000045085055 175303672 /nfs/dbraw/zinc/30/36/72/175303672.db2.gz DPTSAFHRIQZUMS-OAHLLOKOSA-N 1 1 260.381 2.862 10 0 CFAEMO CC(C)[N@H+]1CC[C@H](CNc2ccc3cc(N)ccc3n2)C1 ZINC000045118662 175311594 /nfs/dbraw/zinc/31/15/94/175311594.db2.gz AMCOVZVLNKLNNJ-CYBMUJFWSA-N 1 1 284.407 2.959 10 0 CFAEMO CC(C)c1ccc(C[N@@H+](C)[C@H](C)C(N)=S)cc1 ZINC000045147009 175316608 /nfs/dbraw/zinc/31/66/08/175316608.db2.gz JEUMKMOXSZZVPU-LLVKDONJSA-N 1 1 250.411 2.916 10 0 CFAEMO CCn1nc(C)c([C@@H](C)NC2CC[NH+](C3CC3)CC2)c1C ZINC000045171148 175320927 /nfs/dbraw/zinc/32/09/27/175320927.db2.gz DQGSCCIHJBYGFE-GFCCVEGCSA-N 1 1 290.455 2.797 10 0 CFAEMO CCn1nc(C)c([C@@H](C)NC[C@@H]2CC[N@H+](C(C)C)C2)c1C ZINC000045172112 175321472 /nfs/dbraw/zinc/32/14/72/175321472.db2.gz IMPFYTHPAMKMDI-CJNGLKHVSA-N 1 1 292.471 2.901 10 0 CFAEMO CCOC(=O)[C@](C)(CC[N@@H+](CC)C1CCCCC1)NC ZINC000045224132 175332015 /nfs/dbraw/zinc/33/20/15/175332015.db2.gz ITMVCQMHGMRHMZ-INIZCTEOSA-N 1 1 284.444 2.572 10 0 CFAEMO CC[N@@H+](C[C@](C)(NC(C)C)C(=O)OC)C1CCCCC1 ZINC000045224072 175332332 /nfs/dbraw/zinc/33/23/32/175332332.db2.gz SXLKYRBXIXMCDA-INIZCTEOSA-N 1 1 284.444 2.571 10 0 CFAEMO CCCN[C@](C)(CC[N@@H+](C)C1CCCCC1)C(=O)OCC ZINC000045231305 175334570 /nfs/dbraw/zinc/33/45/70/175334570.db2.gz QAMLSOWGLWQQEQ-QGZVFWFLSA-N 1 1 298.471 2.962 10 0 CFAEMO CC(C)[NH2+][C@@](C)(CC[N@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000045277397 175347756 /nfs/dbraw/zinc/34/77/56/175347756.db2.gz DHBXEQPHZACIHZ-WBVHZDCISA-N 1 1 296.455 2.872 10 0 CFAEMO CC(C)C[N@@H+](CC[C@](C)([NH2+]C(C)C)C(=O)[O-])C(C)C ZINC000045280738 175351425 /nfs/dbraw/zinc/35/14/25/175351425.db2.gz IIBWGFXDBVGJSN-HNNXBMFYSA-N 1 1 272.433 2.584 10 0 CFAEMO CCN[C@](C)(CC[N@@H+](C)C1CCC(CC)CC1)C(=O)OC ZINC000045281154 175351648 /nfs/dbraw/zinc/35/16/48/175351648.db2.gz ASVPYRKFNTWCAV-VMBOVVBDSA-N 1 1 298.471 2.818 10 0 CFAEMO CCOC(=O)[C@@](C)(CCCN(CC)c1ccccc1)[NH2+]C ZINC000045379933 175369045 /nfs/dbraw/zinc/36/90/45/175369045.db2.gz XVERCZWJOIXFKJ-QGZVFWFLSA-N 1 1 292.423 2.834 10 0 CFAEMO CC[N@@H+](CCCC[C@](C)(NC1CC1)C(=O)OC)CC(C)C ZINC000045381741 175370209 /nfs/dbraw/zinc/37/02/09/175370209.db2.gz NYIDAJWAEWSNHA-KRWDZBQOSA-N 1 1 298.471 2.818 10 0 CFAEMO CCCN[C@@](C)(CCC[N@@H+](CC)C(C)C)C(=O)OCC ZINC000045383862 175371110 /nfs/dbraw/zinc/37/11/10/175371110.db2.gz ZMGLMPFHAWAHOJ-INIZCTEOSA-N 1 1 286.460 2.818 10 0 CFAEMO CC(C)[NH2+][C@@](C)(CCCC[N@@H+](C)C1CCCC1)C(=O)[O-] ZINC000045384623 175372445 /nfs/dbraw/zinc/37/24/45/175372445.db2.gz XOFFIAWGIUUWFT-INIZCTEOSA-N 1 1 284.444 2.872 10 0 CFAEMO CCC[N@@H+](CCCC[C@](C)([NH2+]C(C)C)C(=O)[O-])C1CC1 ZINC000045387377 175372720 /nfs/dbraw/zinc/37/27/20/175372720.db2.gz NNLZEDBVCHCPAF-INIZCTEOSA-N 1 1 284.444 2.872 10 0 CFAEMO CCC[NH2+][C@](C)(CCCC[N@@H+](C)C[C@@H](C)CC)C(=O)[O-] ZINC000045388439 175373858 /nfs/dbraw/zinc/37/38/58/175373858.db2.gz OFTJABRUMRGNEF-GOEBONIOSA-N 1 1 286.460 2.978 10 0 CFAEMO CCOC(=O)[C@](C)(CCC[N@@H+](C)C[C@@H](C)CC)NC1CC1 ZINC000045388739 175373972 /nfs/dbraw/zinc/37/39/72/175373972.db2.gz PFPAGAFOYWPMAS-YOEHRIQHSA-N 1 1 298.471 2.818 10 0 CFAEMO CCCN[C@](C)(CCC[N@@H+](C)[C@@H](C)C1CC1)C(=O)OCC ZINC000045393044 175375291 /nfs/dbraw/zinc/37/52/91/175375291.db2.gz WLXQFAHUAVVHFL-WMLDXEAASA-N 1 1 298.471 2.818 10 0 CFAEMO CCC[NH2+][C@](C)(CCCC[N@@H+](C)[C@@H](C)C1CC1)C(=O)[O-] ZINC000045392799 175375820 /nfs/dbraw/zinc/37/58/20/175375820.db2.gz YVWODPCRYGLODC-XJKSGUPXSA-N 1 1 284.444 2.730 10 0 CFAEMO CC[NH2+][C@@](C)(CCC[N@@H+](C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000045421005 175379618 /nfs/dbraw/zinc/37/96/18/175379618.db2.gz VPKRSBHUDVOZNY-WFASDCNBSA-N 1 1 272.433 2.586 10 0 CFAEMO [NH3+]Cc1ncc(-c2cc(Br)cs2)o1 ZINC000071584942 176210011 /nfs/dbraw/zinc/21/00/11/176210011.db2.gz SRPUIEPEGOFMGI-UHFFFAOYSA-N 1 1 259.128 2.624 10 0 CFAEMO C[N@H+]1CCC[C@@H](Nc2ccc(Br)cc2)C1 ZINC000076723581 177070653 /nfs/dbraw/zinc/07/06/53/177070653.db2.gz OMPAJBLHNSQJAC-GFCCVEGCSA-N 1 1 269.186 2.955 10 0 CFAEMO Fc1ccc(CNC[C@H]2CC[NH2+]C2)cc1C(F)(F)F ZINC000398332305 270322006 /nfs/dbraw/zinc/32/20/06/270322006.db2.gz IQMWPNJNSAIXDM-JTQLQIEISA-N 1 1 276.277 2.544 10 0 CFAEMO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1csc(Br)c1 ZINC000399158221 270326523 /nfs/dbraw/zinc/32/65/23/270326523.db2.gz ARCMHQRATLTKHF-WPRPVWTQSA-N 1 1 290.226 2.856 10 0 CFAEMO C[C@H]1CC[C@H](O)C[N@H+]1Cc1csc(Br)c1 ZINC000399158221 270326526 /nfs/dbraw/zinc/32/65/26/270326526.db2.gz ARCMHQRATLTKHF-WPRPVWTQSA-N 1 1 290.226 2.856 10 0 CFAEMO CCC[C@]1(COC)CCC[N@H+]1Cc1nnc(C(C)C)n1C ZINC000194924385 270248537 /nfs/dbraw/zinc/24/85/37/270248537.db2.gz SFRIBZHOYDRRHL-MRXNPFEDSA-N 1 1 294.443 2.720 10 0 CFAEMO COC(=O)[C@H](C)C[N@@H+](C)C[C@H]1CCCCC1(F)F ZINC000394611815 270309211 /nfs/dbraw/zinc/30/92/11/270309211.db2.gz BLXNLMJWWFEBCW-GHMZBOCLSA-N 1 1 263.328 2.553 10 0 CFAEMO CCCc1nc(C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)cs1 ZINC000399058606 270325766 /nfs/dbraw/zinc/32/57/66/270325766.db2.gz IISJDHFLPFRUQO-OUCADQQQSA-N 1 1 280.437 2.688 10 0 CFAEMO O[C@@H]1CC[C@H]2C[N@@H+](CCOc3cccc(Cl)c3)C[C@@H]2C1 ZINC000399101487 270326726 /nfs/dbraw/zinc/32/67/26/270326726.db2.gz ZUTAXWUNLIPABY-KCQAQPDRSA-N 1 1 295.810 2.812 10 0 CFAEMO Cc1cc(C[N@@H+]2C[C@H](O)CC[C@@H]2C)c2ccccc2n1 ZINC000399172743 270327285 /nfs/dbraw/zinc/32/72/85/270327285.db2.gz AFOLPKDHOXDEMH-DZGCQCFKSA-N 1 1 270.376 2.888 10 0 CFAEMO C[C@H]1CC[C@@H](O)C[N@H+]1CCOc1cccc(Cl)c1 ZINC000399221361 270327430 /nfs/dbraw/zinc/32/74/30/270327430.db2.gz WBGLLVVQHGSETA-WCQYABFASA-N 1 1 269.772 2.564 10 0 CFAEMO c1cc2c(nc[nH+]c2N[C@@H]2CCOc3ccccc32)[nH]1 ZINC000364106527 275065431 /nfs/dbraw/zinc/06/54/31/275065431.db2.gz YIDJKLRFQBZHIH-GFCCVEGCSA-N 1 1 266.304 2.894 10 0 CFAEMO c1ccc2nc(N3CC[N@H+]4CCC[C@@H]4C3)ccc2c1 ZINC000171939153 275071901 /nfs/dbraw/zinc/07/19/01/275071901.db2.gz SLZGVORTCRMFRM-CQSZACIVSA-N 1 1 253.349 2.519 10 0 CFAEMO C(C1CCOCC1)[N@H+]1CCC[C@H]1c1nc2c([nH]1)CCCC2 ZINC000328627604 275390364 /nfs/dbraw/zinc/39/03/64/275390364.db2.gz GICHHXFNHOXUFO-INIZCTEOSA-N 1 1 289.423 2.852 10 0 CFAEMO CC(C)[C@H](C)NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000123205089 276015248 /nfs/dbraw/zinc/01/52/48/276015248.db2.gz NACUGLKYAVZFIU-LZWOXQAQSA-N 1 1 293.455 2.689 10 0 CFAEMO CCC[C@H](C)[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000253355972 276040330 /nfs/dbraw/zinc/04/03/30/276040330.db2.gz XIIQBKCOVAUKGS-KBPBESRZSA-N 1 1 262.401 2.566 10 0 CFAEMO CCC[C@@H]1CNCC[N@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000261552160 276277600 /nfs/dbraw/zinc/27/76/00/276277600.db2.gz VSWHFUUEISHSGA-QWHCGFSZSA-N 1 1 260.372 2.886 10 0 CFAEMO CCC[C@@H]1C[NH2+]CCN1C[C@H]1CCCC(F)(F)C1 ZINC000261552160 276277602 /nfs/dbraw/zinc/27/76/02/276277602.db2.gz VSWHFUUEISHSGA-QWHCGFSZSA-N 1 1 260.372 2.886 10 0 CFAEMO CCOCCN1CC[N@@H+](CC2CCC(C)CC2)C[C@H]1C ZINC000245776840 276322550 /nfs/dbraw/zinc/32/25/50/276322550.db2.gz SVLYWPSVEIYMCH-AQFXKWCLSA-N 1 1 282.472 2.855 10 0 CFAEMO CC[C@H]([NH2+][C@H]1CCCn2ncnc21)c1ccc(OC)cc1 ZINC000164705400 276592673 /nfs/dbraw/zinc/59/26/73/276592673.db2.gz PRCQRGMPKLRTJS-GJZGRUSLSA-N 1 1 286.379 2.863 10 0 CFAEMO CC(=O)Oc1ccc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)cc1 ZINC000246372388 277094427 /nfs/dbraw/zinc/09/44/27/277094427.db2.gz ICOAXSUCULYDCU-SJORKVTESA-N 1 1 289.375 2.755 10 0 CFAEMO COC1(CC[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)CCC1 ZINC000336813376 277183234 /nfs/dbraw/zinc/18/32/34/277183234.db2.gz CGVFHOKJZJBPBX-GOEBONIOSA-N 1 1 267.413 2.573 10 0 CFAEMO COc1ccccc1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000091979246 278049187 /nfs/dbraw/zinc/04/91/87/278049187.db2.gz QJZQLXXJSXHOSD-HOCLYGCPSA-N 1 1 261.365 2.839 10 0 CFAEMO COc1ccccc1C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000091979246 278049189 /nfs/dbraw/zinc/04/91/89/278049189.db2.gz QJZQLXXJSXHOSD-HOCLYGCPSA-N 1 1 261.365 2.839 10 0 CFAEMO CC(C)(C)OC(=O)N1CC[NH2+]C[C@H]1c1cc(F)cc(F)c1 ZINC000095752187 278401051 /nfs/dbraw/zinc/40/10/51/278401051.db2.gz HHCHHSNPFGHZBE-ZDUSSCGKSA-N 1 1 298.333 2.846 10 0 CFAEMO C[C@H](CCc1ccccc1)[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000247559022 279274113 /nfs/dbraw/zinc/27/41/13/279274113.db2.gz FVBFAHLITOHJJI-SJLPKXTDSA-N 1 1 299.418 2.605 10 0 CFAEMO Cn1cc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)c(C(C)(C)C)n1 ZINC000245848326 279336398 /nfs/dbraw/zinc/33/63/98/279336398.db2.gz LUMIMCQKNPLIAD-CABCVRRESA-N 1 1 291.439 2.861 10 0 CFAEMO Cn1cc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)c(C(C)(C)C)n1 ZINC000245848326 279336400 /nfs/dbraw/zinc/33/64/00/279336400.db2.gz LUMIMCQKNPLIAD-CABCVRRESA-N 1 1 291.439 2.861 10 0 CFAEMO C[C@@H]1C[N@@H+](C[C@H](O)COC(C)(C)C)[C@H]2CCCC[C@@H]12 ZINC000248414918 288199015 /nfs/dbraw/zinc/19/90/15/288199015.db2.gz HMAIDJLBSVUAKZ-QPSCCSFWSA-N 1 1 269.429 2.673 10 0 CFAEMO O=C([C@H]1C[C@H]1C1CCCCC1)N1CC[NH+](C2CC2)CC1 ZINC000162057525 280151080 /nfs/dbraw/zinc/15/10/80/280151080.db2.gz WUARTQCLZBTBCM-HOTGVXAUSA-N 1 1 276.424 2.509 10 0 CFAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cc1cccc(C)c1 ZINC000246868389 281000159 /nfs/dbraw/zinc/00/01/59/281000159.db2.gz DSPFXTYFEBPJNQ-SJORKVTESA-N 1 1 286.419 2.623 10 0 CFAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C[C@H]1CC[C@H](C)C1 ZINC000247681249 281015363 /nfs/dbraw/zinc/01/53/63/281015363.db2.gz RTLIVXPNEXBFHQ-CAOSSQGBSA-N 1 1 278.440 2.898 10 0 CFAEMO COCCN1CC[N@H+]([C@@H](C)c2cccc(C)c2)C[C@@H]1C ZINC000247698865 281016021 /nfs/dbraw/zinc/01/60/21/281016021.db2.gz XGZTXSUUFUGHNV-HOTGVXAUSA-N 1 1 276.424 2.709 10 0 CFAEMO COCC[N@@H+]1CCN([C@@H](C)c2cccc(C)c2)C[C@@H]1C ZINC000247698865 281016022 /nfs/dbraw/zinc/01/60/22/281016022.db2.gz XGZTXSUUFUGHNV-HOTGVXAUSA-N 1 1 276.424 2.709 10 0 CFAEMO COCC[N@H+]1CCN([C@@H](C)c2cccc(C)c2)C[C@@H]1C ZINC000247698865 281016023 /nfs/dbraw/zinc/01/60/23/281016023.db2.gz XGZTXSUUFUGHNV-HOTGVXAUSA-N 1 1 276.424 2.709 10 0 CFAEMO CCCCOC[C@@H](O)C[N@H+]1CCCC[C@H]1C(C)C ZINC000248642278 281029479 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CO[C@@H]1C[N@@H+](CCN(C)Cc2ccc(F)cc2)CC[C@H]1C ZINC000251602650 281073668 /nfs/dbraw/zinc/07/36/68/281073668.db2.gz FVQAKLJPFMMDNA-RHSMWYFYSA-N 1 1 294.414 2.614 10 0 CFAEMO CC[N@H+]1CCC[C@H](NC(=O)N(C)[C@H]2CCCC[C@@H]2C)C1 ZINC000253356140 281080741 /nfs/dbraw/zinc/08/07/41/281080741.db2.gz WSNJEZKQLHFFHN-KKUMJFAQSA-N 1 1 281.444 2.691 10 0 CFAEMO Cc1ccc2nccc(N3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000185655417 281169391 /nfs/dbraw/zinc/16/93/91/281169391.db2.gz WSHUDNNVFCUREQ-CQSZACIVSA-N 1 1 267.376 2.828 10 0 CFAEMO Cc1ccc2nccc(N3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC000185655417 281169392 /nfs/dbraw/zinc/16/93/92/281169392.db2.gz WSHUDNNVFCUREQ-CQSZACIVSA-N 1 1 267.376 2.828 10 0 CFAEMO O[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3Cl)C[C@H]2C1 ZINC000398736723 281208354 /nfs/dbraw/zinc/20/83/54/281208354.db2.gz NLHIPBGUOKYBSL-MRVWCRGKSA-N 1 1 265.784 2.933 10 0 CFAEMO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1nc(C(C)(C)C)cs1 ZINC000399199927 281210242 /nfs/dbraw/zinc/21/02/42/281210242.db2.gz MXCYSVGDGLZJOO-QWRGUYRKSA-N 1 1 268.426 2.786 10 0 CFAEMO C[C@H]1CC[C@H](O)C[N@H+]1Cc1nc(C(C)(C)C)cs1 ZINC000399199927 281210244 /nfs/dbraw/zinc/21/02/44/281210244.db2.gz MXCYSVGDGLZJOO-QWRGUYRKSA-N 1 1 268.426 2.786 10 0 CFAEMO CCC(CC)n1ccc(C[N@@H+]2C[C@H](O)CC[C@@H]2C)n1 ZINC000399298793 281210595 /nfs/dbraw/zinc/21/05/95/281210595.db2.gz WHEJHDNUOAYCEB-SWLSCSKDSA-N 1 1 265.401 2.589 10 0 CFAEMO CCC(CC)n1ccc(C[N@H+]2C[C@H](O)CC[C@@H]2C)n1 ZINC000399298793 281210596 /nfs/dbraw/zinc/21/05/96/281210596.db2.gz WHEJHDNUOAYCEB-SWLSCSKDSA-N 1 1 265.401 2.589 10 0 CFAEMO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](Cc2nnnn2C(C)C)C1 ZINC000155238654 281376421 /nfs/dbraw/zinc/37/64/21/281376421.db2.gz HOAQZGPASZWKEF-LSDHHAIUSA-N 1 1 299.422 2.940 10 0 CFAEMO C[C@H](O)CN1CC[N@@H+](CC2CCC(C)(C)CC2)C[C@H]1C ZINC000245749892 290112437 /nfs/dbraw/zinc/11/24/37/290112437.db2.gz NOUZNMFLJKOOED-CABCVRRESA-N 1 1 282.472 2.590 10 0 CFAEMO Cc1nc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)oc1C ZINC000124555997 293264412 /nfs/dbraw/zinc/26/44/12/293264412.db2.gz AFQUIHWXSHJAPV-ZNMIVQPWSA-N 1 1 278.396 2.807 10 0 CFAEMO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H]1CCCOc2ccccc21 ZINC000181252230 293527806 /nfs/dbraw/zinc/52/78/06/293527806.db2.gz SAEMTYKBYHOKQM-LSDHHAIUSA-N 1 1 298.390 2.925 10 0 CFAEMO Cn1ccnc1[C@H]([NH2+][C@H]1CCOc2ccccc21)C1CC1 ZINC000127522593 294428835 /nfs/dbraw/zinc/42/88/35/294428835.db2.gz RYDPULXSZYAIHS-GOEBONIOSA-N 1 1 283.375 2.985 10 0 CFAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCCCC(F)(F)F ZINC000128966489 297095904 /nfs/dbraw/zinc/09/59/04/297095904.db2.gz RMIROCMMDRTBOZ-VXGBXAGGSA-N 1 1 264.335 2.888 10 0 CFAEMO CC(C)n1nnnc1C[N@@H+](CC1CC1)C1CCCCC1 ZINC000170785432 322393703 /nfs/dbraw/zinc/39/37/03/322393703.db2.gz CWHHCVRHDJGEOX-UHFFFAOYSA-N 1 1 277.416 2.799 10 0 CFAEMO NC(=O)[C@@H]([NH2+][C@@H]1CCc2ccccc21)c1ccc(F)cc1 ZINC000192963228 324066915 /nfs/dbraw/zinc/06/69/15/324066915.db2.gz HHIINWSZJWDULJ-CVEARBPZSA-N 1 1 284.334 2.629 10 0 CFAEMO CC[N@H+]1CCC[C@H](NC(=O)Nc2nc(C(C)C)cs2)C1 ZINC000194325873 324086836 /nfs/dbraw/zinc/08/68/36/324086836.db2.gz NIQFIGGTFLSAPQ-NSHDSACASA-N 1 1 296.440 2.872 10 0 CFAEMO CCCNCc1cc(C[N@H+](CCC)C(C)C)on1 ZINC000052450345 519945451 /nfs/dbraw/zinc/94/54/51/519945451.db2.gz QWNZIRYHGSKOGO-UHFFFAOYSA-N 1 1 253.390 2.795 10 0 CFAEMO CCCNCc1cc(C[N@@H+](CCC)C(C)C)on1 ZINC000052450345 519945458 /nfs/dbraw/zinc/94/54/58/519945458.db2.gz QWNZIRYHGSKOGO-UHFFFAOYSA-N 1 1 253.390 2.795 10 0 CFAEMO CCCCOC[C@H](O)C[N@H+]1CCCC[C@H](SCC)C1 ZINC000195176623 520803843 /nfs/dbraw/zinc/80/38/43/520803843.db2.gz FOQGYEFYRDSGEQ-CABCVRRESA-N 1 1 289.485 2.772 10 0 CFAEMO CCCCSCCC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000172392638 520945652 /nfs/dbraw/zinc/94/56/52/520945652.db2.gz NOCCZTSMIIPMIZ-AWEZNQCLSA-N 1 1 284.469 2.607 10 0 CFAEMO CCC(C)(C)[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(F)c(N)c1 ZINC000069428343 521309869 /nfs/dbraw/zinc/30/98/69/521309869.db2.gz RYJDDWXTDGKUCH-JTQLQIEISA-N 1 1 281.375 2.855 10 0 CFAEMO CCC[N@@H+](CC)[C@H](CN)c1ccc(OC)c(C)c1 ZINC000050596558 521615156 /nfs/dbraw/zinc/61/51/56/521615156.db2.gz RIAFTDFEHPRMDC-CQSZACIVSA-N 1 1 250.386 2.735 10 0 CFAEMO CCCN(CC)[C@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000050596558 521615160 /nfs/dbraw/zinc/61/51/60/521615160.db2.gz RIAFTDFEHPRMDC-CQSZACIVSA-N 1 1 250.386 2.735 10 0 CFAEMO CCC[N@@H+](Cc1cnn(C)c1)C1(CN)CCC(C)CC1 ZINC000050539250 521691927 /nfs/dbraw/zinc/69/19/27/521691927.db2.gz GYLNLYJDTONJBP-UHFFFAOYSA-N 1 1 278.444 2.540 10 0 CFAEMO C[NH2+]C(C)(C)c1nc(C(C)(C)c2ccccc2)no1 ZINC000062772744 521944224 /nfs/dbraw/zinc/94/42/24/521944224.db2.gz WBWYGWXDJCRMEV-UHFFFAOYSA-N 1 1 259.353 2.850 10 0 CFAEMO COc1ccc(Cc2noc([C@@]3(C)CCCC[NH2+]3)n2)cc1 ZINC000133850638 533814598 /nfs/dbraw/zinc/81/45/98/533814598.db2.gz ORBZEOJFRJVHCS-MRXNPFEDSA-N 1 1 287.363 2.658 10 0 CFAEMO Brc1ccc(CN2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000246413107 518211547 /nfs/dbraw/zinc/21/15/47/518211547.db2.gz FKQNRXUTTIHPCZ-AWEZNQCLSA-N 1 1 295.224 2.729 10 0 CFAEMO CC(=O)c1ccccc1OCC[N@H+]1CCC[C@@H]1CCCO ZINC000052761438 518474295 /nfs/dbraw/zinc/47/42/95/518474295.db2.gz GVGKJOXRDVZIMZ-OAHLLOKOSA-N 1 1 291.391 2.505 10 0 CFAEMO CC(C)(C)[NH2+]C[C@H]1CC[C@@H](CN2Cc3ccccc3C2)O1 ZINC000052374536 518763037 /nfs/dbraw/zinc/76/30/37/518763037.db2.gz ASYCGYIFJAEJLV-SJORKVTESA-N 1 1 288.435 2.938 10 0 CFAEMO CC(C)(C)[C@@H]1CC[N@@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000228559172 518944836 /nfs/dbraw/zinc/94/48/36/518944836.db2.gz CHVHHOPXBAWQKP-IAGOWNOFSA-N 1 1 291.435 2.932 10 0 CFAEMO CC(=O)N(C)Cc1ccccc1NC[C@H]1CCCC[N@H+]1C ZINC000054241392 519449763 /nfs/dbraw/zinc/44/97/63/519449763.db2.gz ZLPLBCSCYYBEKZ-MRXNPFEDSA-N 1 1 289.423 2.561 10 0 CFAEMO CC(C)[N@@H+](Cc1ccccc1)CC1(CO)CCOCC1 ZINC000052199184 519658339 /nfs/dbraw/zinc/65/83/39/519658339.db2.gz GDYDBRUTHHUJPS-UHFFFAOYSA-N 1 1 277.408 2.686 10 0 CFAEMO CC(C)C[N@@H+](CCN(C)C)Cc1ccc(Cl)cc1N ZINC000050443228 519716970 /nfs/dbraw/zinc/71/69/70/519716970.db2.gz DXTFBYIBIWXHKR-UHFFFAOYSA-N 1 1 283.847 2.942 10 0 CFAEMO CC(C)CN(CC[NH+](C)C)Cc1ccc(Cl)cc1N ZINC000050443228 519716972 /nfs/dbraw/zinc/71/69/72/519716972.db2.gz DXTFBYIBIWXHKR-UHFFFAOYSA-N 1 1 283.847 2.942 10 0 CFAEMO CC(C)NCc1cc(C[N@H+](C)[C@H](C)C(C)C)on1 ZINC000052478485 519726200 /nfs/dbraw/zinc/72/62/00/519726200.db2.gz LAIBTXCALYFNEB-GFCCVEGCSA-N 1 1 253.390 2.649 10 0 CFAEMO CC(C)NCc1cc(C[N@@H+](C)[C@H](C)C(C)C)on1 ZINC000052478485 519726202 /nfs/dbraw/zinc/72/62/02/519726202.db2.gz LAIBTXCALYFNEB-GFCCVEGCSA-N 1 1 253.390 2.649 10 0 CFAEMO CC(C)[C@H](C[NH+](C)C)NCc1ccc(Br)o1 ZINC000049195377 519814523 /nfs/dbraw/zinc/81/45/23/519814523.db2.gz KYOBBCHVHRBDME-NSHDSACASA-N 1 1 289.217 2.718 10 0 CFAEMO CC(C)c1ncc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)s1 ZINC000246545146 519873277 /nfs/dbraw/zinc/87/32/77/519873277.db2.gz WSOOACMBGUJCAQ-NEPJUHHUSA-N 1 1 293.436 2.575 10 0 CFAEMO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2sc(C)nc2C)C1 ZINC000172773453 519875605 /nfs/dbraw/zinc/87/56/05/519875605.db2.gz WBDOKMVEWSEFGB-CYBMUJFWSA-N 1 1 295.452 2.641 10 0 CFAEMO CCCC1CC[NH+](CC(=O)Nc2ccc(F)cc2N)CC1 ZINC000050892774 519900787 /nfs/dbraw/zinc/90/07/87/519900787.db2.gz YZTMDJMCWLXTAZ-UHFFFAOYSA-N 1 1 293.386 2.859 10 0 CFAEMO CCC[NH2+]CC1(CN(C)Cc2ccccc2)CCOCC1 ZINC000052180950 519910376 /nfs/dbraw/zinc/91/03/76/519910376.db2.gz PBIFRSRWVJWNDY-UHFFFAOYSA-N 1 1 290.451 2.915 10 0 CFAEMO CCN(C(=O)C[N@@H+]1CCS[C@@H](C)C1)C1CCCCC1 ZINC000171697727 519913920 /nfs/dbraw/zinc/91/39/20/519913920.db2.gz VYTVASGNVZUCMC-ZDUSSCGKSA-N 1 1 284.469 2.605 10 0 CFAEMO CCN(C(=O)C[N@H+]1CCS[C@@H](C)C1)C1CCCCC1 ZINC000171697727 519913922 /nfs/dbraw/zinc/91/39/22/519913922.db2.gz VYTVASGNVZUCMC-ZDUSSCGKSA-N 1 1 284.469 2.605 10 0 CFAEMO CCCNCc1cc(C[N@H+](C)CCC(C)C)on1 ZINC000052545859 519945041 /nfs/dbraw/zinc/94/50/41/519945041.db2.gz ZZWPXVGVPBGMES-UHFFFAOYSA-N 1 1 253.390 2.652 10 0 CFAEMO CCCNCc1cc(C[N@@H+](C)CCC(C)C)on1 ZINC000052545859 519945044 /nfs/dbraw/zinc/94/50/44/519945044.db2.gz ZZWPXVGVPBGMES-UHFFFAOYSA-N 1 1 253.390 2.652 10 0 CFAEMO CCN(C(=O)[C@@H](C)[N@@H+]1CCS[C@H](C)C1)c1ccccc1 ZINC000171697309 520011849 /nfs/dbraw/zinc/01/18/49/520011849.db2.gz BADKSQSTJHFSER-ZIAGYGMSSA-N 1 1 292.448 2.865 10 0 CFAEMO CCN(C(=O)[C@@H](C)[N@H+]1CCS[C@H](C)C1)c1ccccc1 ZINC000171697309 520011863 /nfs/dbraw/zinc/01/18/63/520011863.db2.gz BADKSQSTJHFSER-ZIAGYGMSSA-N 1 1 292.448 2.865 10 0 CFAEMO CCCNc1ccc(C[N@@H+]2C[C@@H](C)OC[C@@H]2CC)cn1 ZINC000050817352 520157414 /nfs/dbraw/zinc/15/74/14/520157414.db2.gz AZYFPCPGOUVJBZ-HIFRSBDPSA-N 1 1 277.412 2.903 10 0 CFAEMO CCCNc1ccc(C[N@H+]2C[C@@H](C)OC[C@@H]2CC)cn1 ZINC000050817352 520157423 /nfs/dbraw/zinc/15/74/23/520157423.db2.gz AZYFPCPGOUVJBZ-HIFRSBDPSA-N 1 1 277.412 2.903 10 0 CFAEMO CCCCCOCC[C@@](C)([NH2+]CCC)C(=O)OC ZINC000045544114 520246349 /nfs/dbraw/zinc/24/63/49/520246349.db2.gz OCPTVNLFQZRNMQ-CQSZACIVSA-N 1 1 259.390 2.515 10 0 CFAEMO CCCC[N@H+](C)[C@H](CN)c1ccc(OC)c(C)c1 ZINC000050596498 520433379 /nfs/dbraw/zinc/43/33/79/520433379.db2.gz NSJWWCBLDNVHIS-CQSZACIVSA-N 1 1 250.386 2.735 10 0 CFAEMO CCCC[N@@H+](C)[C@H](CN)c1ccc(OC)c(C)c1 ZINC000050596498 520433386 /nfs/dbraw/zinc/43/33/86/520433386.db2.gz NSJWWCBLDNVHIS-CQSZACIVSA-N 1 1 250.386 2.735 10 0 CFAEMO CC1(C)C[N@H+](C[C@@H]2CCCO2)[C@@H](c2ccccc2)CN1 ZINC000062667586 520471236 /nfs/dbraw/zinc/47/12/36/520471236.db2.gz WJRAWQTXOUSUED-JKSUJKDBSA-N 1 1 274.408 2.591 10 0 CFAEMO CC1(C)C[N@@H+](C[C@@H]2CCCO2)[C@@H](c2ccccc2)CN1 ZINC000062667586 520471242 /nfs/dbraw/zinc/47/12/42/520471242.db2.gz WJRAWQTXOUSUED-JKSUJKDBSA-N 1 1 274.408 2.591 10 0 CFAEMO CCCC[N@@H+](CC1(CO)CCOCC1)[C@H](C)CC ZINC000052199931 520483069 /nfs/dbraw/zinc/48/30/69/520483069.db2.gz SBWDKHMLGBLEAI-CQSZACIVSA-N 1 1 257.418 2.676 10 0 CFAEMO CCCC[NH+](CCCC)Cc1nnnn1C(C)C ZINC000195059231 520497317 /nfs/dbraw/zinc/49/73/17/520497317.db2.gz VHJWAYQLGZGNAC-UHFFFAOYSA-N 1 1 253.394 2.656 10 0 CFAEMO CCCC[N@H+](CCn1cc(CNCCC)nn1)[C@H](C)CC ZINC000052372712 520541878 /nfs/dbraw/zinc/54/18/78/520541878.db2.gz SBJDUEIFQLPURY-OAHLLOKOSA-N 1 1 295.475 2.678 10 0 CFAEMO CCCC[N@@H+](CCn1cc(CNCCC)nn1)[C@H](C)CC ZINC000052372712 520541883 /nfs/dbraw/zinc/54/18/83/520541883.db2.gz SBJDUEIFQLPURY-OAHLLOKOSA-N 1 1 295.475 2.678 10 0 CFAEMO CCOC(=O)CC[N@@H+](C)Cc1ccc2ccccc2n1 ZINC000050067280 520672602 /nfs/dbraw/zinc/67/26/02/520672602.db2.gz VHOKSXKGMFFUJE-UHFFFAOYSA-N 1 1 272.348 2.620 10 0 CFAEMO CCCCOCCNC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000049262194 520783678 /nfs/dbraw/zinc/78/36/78/520783678.db2.gz VJOHJYUYTLRAAD-HOTGVXAUSA-N 1 1 270.461 2.903 10 0 CFAEMO CCN(CC)c1ncc(CN[C@@H](C)C[NH+]2CCCC2)s1 ZINC000049150789 520933269 /nfs/dbraw/zinc/93/32/69/520933269.db2.gz WKUNVBJHMCRUGA-ZDUSSCGKSA-N 1 1 296.484 2.563 10 0 CFAEMO CC[N@@H+](CC1CC1)[C@@](C)(CN)Cc1ccccc1OC ZINC000069237525 520966724 /nfs/dbraw/zinc/96/67/24/520966724.db2.gz HKLHQPVGBKMLSN-QGZVFWFLSA-N 1 1 276.424 2.687 10 0 CFAEMO CCN(CC1CC1)[C@@](C)(C[NH3+])Cc1ccccc1OC ZINC000069237525 520966732 /nfs/dbraw/zinc/96/67/32/520966732.db2.gz HKLHQPVGBKMLSN-QGZVFWFLSA-N 1 1 276.424 2.687 10 0 CFAEMO CC[N@@H+](CC1CC1)[C@]1(CN)CCCc2ccccc21 ZINC000069237326 520970174 /nfs/dbraw/zinc/97/01/74/520970174.db2.gz JEVDDMXLIIEZRL-KRWDZBQOSA-N 1 1 258.409 2.909 10 0 CFAEMO CCOC(=O)[C@@H](C)[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000049371463 521028059 /nfs/dbraw/zinc/02/80/59/521028059.db2.gz PGKLFGCKQWOGAM-XJFOESAGSA-N 1 1 253.386 2.887 10 0 CFAEMO CCOC(=O)[C@@H](CC)[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000173697637 521049463 /nfs/dbraw/zinc/04/94/63/521049463.db2.gz MEGOBVIMMKDSAK-ZIAGYGMSSA-N 1 1 293.411 2.516 10 0 CFAEMO CCOC(=O)[C@@H](CC)[N@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000173697637 521049476 /nfs/dbraw/zinc/04/94/76/521049476.db2.gz MEGOBVIMMKDSAK-ZIAGYGMSSA-N 1 1 293.411 2.516 10 0 CFAEMO CCOC(=O)[C@H](C)C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000050599813 521185597 /nfs/dbraw/zinc/18/55/97/521185597.db2.gz KHNMOWHNLWMMGN-HIFRSBDPSA-N 1 1 261.365 2.675 10 0 CFAEMO CCCC[C@](CC)(C[NH3+])N1CCC(OCC)CC1 ZINC000069379830 521252665 /nfs/dbraw/zinc/25/26/65/521252665.db2.gz MAJNZBYOVKILKY-OAHLLOKOSA-N 1 1 256.434 2.785 10 0 CFAEMO CC[N@H+](Cc1cc2ccccc2nc1N)C[C@H]1CCCO1 ZINC000050815132 521294594 /nfs/dbraw/zinc/29/45/94/521294594.db2.gz BDNRHPGTNNDVFU-OAHLLOKOSA-N 1 1 285.391 2.818 10 0 CFAEMO CCC(C)(C)[N@@H+](C)CCOc1ccccc1C(N)=S ZINC000069434045 521300698 /nfs/dbraw/zinc/30/06/98/521300698.db2.gz FLDCECUBMFEENT-UHFFFAOYSA-N 1 1 280.437 2.820 10 0 CFAEMO CCC(C)(C)[N@@H+](C)C[C@H](N)c1cc(OC)ccc1OC ZINC000069430605 521305347 /nfs/dbraw/zinc/30/53/47/521305347.db2.gz VYTBPUGXBJHTLF-AWEZNQCLSA-N 1 1 280.412 2.824 10 0 CFAEMO CCCCc1noc([C@H](C)N(C)C[C@H]2CCC[N@H+]2CC)n1 ZINC000245457029 521350312 /nfs/dbraw/zinc/35/03/12/521350312.db2.gz BSUHEQGNDBXAOI-UONOGXRCSA-N 1 1 294.443 2.889 10 0 CFAEMO CCC(CC)(c1noc(C[NH2+]C)n1)c1ccccc1 ZINC000062783241 521480080 /nfs/dbraw/zinc/48/00/80/521480080.db2.gz GGWHIMQVTBQASM-UHFFFAOYSA-N 1 1 259.353 2.895 10 0 CFAEMO CCOc1ccccc1C[N@H+]1CCC[C@H]1CCCO ZINC000052762634 521485550 /nfs/dbraw/zinc/48/55/50/521485550.db2.gz FVMLMAIGTLCJRO-HNNXBMFYSA-N 1 1 263.381 2.822 10 0 CFAEMO CCC(CC)C[N@@H+](CC)CCCC[C@@](C)([NH2+]C)C(=O)[O-] ZINC000045422626 521520304 /nfs/dbraw/zinc/52/03/04/521520304.db2.gz SMTHOPYHOSQHMC-MRXNPFEDSA-N 1 1 286.460 2.978 10 0 CFAEMO CCC(CC)[N@H+](CCOC)Cc1cc(CN)oc1C ZINC000052573354 521559064 /nfs/dbraw/zinc/55/90/64/521559064.db2.gz VWPDEGFRWBBRCG-UHFFFAOYSA-N 1 1 268.401 2.684 10 0 CFAEMO CCC(CC)[N@@H+](CCOC)Cc1cc(CN)oc1C ZINC000052573354 521559071 /nfs/dbraw/zinc/55/90/71/521559071.db2.gz VWPDEGFRWBBRCG-UHFFFAOYSA-N 1 1 268.401 2.684 10 0 CFAEMO CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H](C)c2ccccc2)C1 ZINC000052497185 521621699 /nfs/dbraw/zinc/62/16/99/521621699.db2.gz PHSXUTSFWGEGEX-DZGCQCFKSA-N 1 1 275.396 2.531 10 0 CFAEMO CC[N@H+]1CCC[C@@H](NC(=O)[C@H](SC)c2ccccc2)C1 ZINC000172541725 521623204 /nfs/dbraw/zinc/62/32/04/521623204.db2.gz ZATWTSKZHLVPQT-HUUCEWRRSA-N 1 1 292.448 2.691 10 0 CFAEMO CCCn1c(C)nnc1C[NH2+][C@@H](C)c1cccs1 ZINC000182545025 521625133 /nfs/dbraw/zinc/62/51/33/521625133.db2.gz KTUCWUVYPFDQKB-JTQLQIEISA-N 1 1 264.398 2.909 10 0 CFAEMO CC[N@H+]1CCC[C@@H](Nc2cc(Cl)ccc2C(N)=S)C1 ZINC000062788254 521625078 /nfs/dbraw/zinc/62/50/78/521625078.db2.gz RJKWYMSPXZFGKV-LLVKDONJSA-N 1 1 297.855 2.870 10 0 CFAEMO CC[N@H+]1CCC[C@H](Nc2ccc(N)c3cnccc23)C1 ZINC000049193193 521649749 /nfs/dbraw/zinc/64/97/49/521649749.db2.gz KSINFXJDHDIJOA-LBPRGKRZSA-N 1 1 270.380 2.713 10 0 CFAEMO CCOC1CCN(C[C@@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000052483971 521656087 /nfs/dbraw/zinc/65/60/87/521656087.db2.gz AAXOXWQWQJRGRP-ZDUSSCGKSA-N 1 1 256.434 2.512 10 0 CFAEMO CCC[N@@H+](CCOc1ccc(C(N)=S)cc1)CC1CC1 ZINC000048993629 521669107 /nfs/dbraw/zinc/66/91/07/521669107.db2.gz JODJVMTXABHONO-UHFFFAOYSA-N 1 1 292.448 2.822 10 0 CFAEMO CCC[N@H+](Cc1cnn(C)c1)C1(CN)CCC(C)CC1 ZINC000050539250 521691923 /nfs/dbraw/zinc/69/19/23/521691923.db2.gz GYLNLYJDTONJBP-UHFFFAOYSA-N 1 1 278.444 2.540 10 0 CFAEMO CC[N@@H+]1CC[C@H](N[C@@H](C)c2cc(C)ccc2OC)C1 ZINC000328327848 521721390 /nfs/dbraw/zinc/72/13/90/521721390.db2.gz GRAANRMEQBEIMI-KBPBESRZSA-N 1 1 262.397 2.748 10 0 CFAEMO CC[N@H+]1CC[C@H](N[C@@H](C)c2cc(C)ccc2OC)C1 ZINC000328327848 521721391 /nfs/dbraw/zinc/72/13/91/521721391.db2.gz GRAANRMEQBEIMI-KBPBESRZSA-N 1 1 262.397 2.748 10 0 CFAEMO CCc1ccccc1[C@@H](CN)[N@H+](C)[C@@H]1CCSC1 ZINC000052203491 521929797 /nfs/dbraw/zinc/92/97/97/521929797.db2.gz ILGIWZPZIRWLIH-UKRRQHHQSA-N 1 1 264.438 2.686 10 0 CFAEMO CCc1ccccc1[C@@H](CN)[N@@H+](C)[C@@H]1CCSC1 ZINC000052203491 521929803 /nfs/dbraw/zinc/92/98/03/521929803.db2.gz ILGIWZPZIRWLIH-UKRRQHHQSA-N 1 1 264.438 2.686 10 0 CFAEMO CCc1ccccc1[C@H](CN)[N@H+](CCOC)[C@@H](C)CC ZINC000052203821 521953484 /nfs/dbraw/zinc/95/34/84/521953484.db2.gz IDAYIQLAKZDUDC-YOEHRIQHSA-N 1 1 278.440 2.996 10 0 CFAEMO CCc1ccccc1[C@H](C[NH3+])N(CCOC)[C@@H](C)CC ZINC000052203821 521953492 /nfs/dbraw/zinc/95/34/92/521953492.db2.gz IDAYIQLAKZDUDC-YOEHRIQHSA-N 1 1 278.440 2.996 10 0 CFAEMO CCc1csc([C@@H]2CCC[N@H+](Cc3nnc(C)o3)C2)n1 ZINC000195380560 522113971 /nfs/dbraw/zinc/11/39/71/522113971.db2.gz RRQGLQPIXNPGMV-LLVKDONJSA-N 1 1 292.408 2.777 10 0 CFAEMO CCc1csc([C@@H]2CCC[N@@H+](Cc3nnc(C)o3)C2)n1 ZINC000195380560 522113982 /nfs/dbraw/zinc/11/39/82/522113982.db2.gz RRQGLQPIXNPGMV-LLVKDONJSA-N 1 1 292.408 2.777 10 0 CFAEMO CCc1nc(C2([NH2+]CCCCCOC)CCCC2)no1 ZINC000173696213 522243430 /nfs/dbraw/zinc/24/34/30/522243430.db2.gz NJOSRDIWYDNYOE-UHFFFAOYSA-N 1 1 281.400 2.808 10 0 CFAEMO C[NH2+][C@@H](c1nnc(-c2ccoc2)o1)c1ccccc1 ZINC000050617929 522373837 /nfs/dbraw/zinc/37/38/37/522373837.db2.gz GKBMXLBTGTWWDP-GFCCVEGCSA-N 1 1 255.277 2.638 10 0 CFAEMO C[NH2+][C@H](C)c1nnc(Cc2c(F)cccc2Cl)o1 ZINC000050618532 522455545 /nfs/dbraw/zinc/45/55/45/522455545.db2.gz GRKCLTZKRGOVOW-SSDOTTSWSA-N 1 1 269.707 2.733 10 0 CFAEMO C[NH2+][C@H](C)c1nnc(Cc2ccc(Br)cc2)o1 ZINC000050618502 522456612 /nfs/dbraw/zinc/45/66/12/522456612.db2.gz QLWWDIXMXZZQTG-MRVPVSSYSA-N 1 1 296.168 2.703 10 0 CFAEMO 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CC(C)[N@H+]1C[C@@H](C)[C@H](Nc2cnc3ccccc3n2)C1 ZINC000246732747 393882882 /nfs/dbraw/zinc/88/28/82/393882882.db2.gz AQCWZZWAPRSFBO-IUODEOHRSA-N 1 1 270.380 2.770 10 0 CFAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cccc(C)c1 ZINC000247009005 393891697 /nfs/dbraw/zinc/89/16/97/393891697.db2.gz RBYXMFAXKSABQS-CVEARBPZSA-N 1 1 272.392 2.694 10 0 CFAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCCC(C)(C)C ZINC000247100485 393893337 /nfs/dbraw/zinc/89/33/37/393893337.db2.gz IKAWVFQKHXCBCX-KBPBESRZSA-N 1 1 266.429 2.898 10 0 CFAEMO CCCCOC[C@H](O)C[N@H+]1CCCC[C@H]1c1cccn1C ZINC000248651771 393913004 /nfs/dbraw/zinc/91/30/04/393913004.db2.gz MZRYXNDOODBEIY-WBVHZDCISA-N 1 1 294.439 2.730 10 0 CFAEMO CCCCOC[C@H](O)C[N@H+]1CCC[C@H]1C1CCCC1 ZINC000248653871 393913021 /nfs/dbraw/zinc/91/30/21/393913021.db2.gz OZSNHLXZCQMTJE-CVEARBPZSA-N 1 1 269.429 2.819 10 0 CFAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1cccc(COC)c1 ZINC000245968720 393841264 /nfs/dbraw/zinc/84/12/64/393841264.db2.gz FGQFROKRUMYDQO-MSOLQXFVSA-N 1 1 288.435 2.892 10 0 CFAEMO CCC1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000246173513 393852149 /nfs/dbraw/zinc/85/21/49/393852149.db2.gz GEWAAYSGSWYNRB-PRLABOORSA-N 1 1 295.471 2.937 10 0 CFAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](C)CC(C)C ZINC000246271657 393858414 /nfs/dbraw/zinc/85/84/14/393858414.db2.gz BOIXBQAVCVKQPJ-KGLIPLIRSA-N 1 1 269.433 2.547 10 0 CFAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N(C)c1ccc(F)cc1 ZINC000246355921 393862987 /nfs/dbraw/zinc/86/29/87/393862987.db2.gz GGKCJQBLXWILSA-DOMZBBRYSA-N 1 1 291.370 2.550 10 0 CFAEMO CCCC(O)(CCC)CC(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000119202251 393915936 /nfs/dbraw/zinc/91/59/36/393915936.db2.gz OFAFBXJLXFQSOF-HNNXBMFYSA-N 1 1 298.471 2.651 10 0 CFAEMO CCO[C@H]1C[C@H]([N@@H+](C)CCCC(=O)OC)C12CCCC2 ZINC000121203755 393951475 /nfs/dbraw/zinc/95/14/75/393951475.db2.gz SVOOPVXSVDKDLJ-KBPBESRZSA-N 1 1 283.412 2.609 10 0 CFAEMO CCO[C@H]1C[C@@H]([N@H+](C)Cc2nnc(CC)o2)C12CCCC2 ZINC000121196975 393951659 /nfs/dbraw/zinc/95/16/59/393951659.db2.gz YDYCIRJTPMEVGW-OLZOCXBDSA-N 1 1 293.411 2.802 10 0 CFAEMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2nnc(CC)o2)C12CCCC2 ZINC000121196975 393951661 /nfs/dbraw/zinc/95/16/61/393951661.db2.gz YDYCIRJTPMEVGW-OLZOCXBDSA-N 1 1 293.411 2.802 10 0 CFAEMO CCC[C@H](C(=O)OCC)[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000124668961 393997638 /nfs/dbraw/zinc/99/76/38/393997638.db2.gz ZEFIVYPEDMQVHU-JJXSEGSLSA-N 1 1 297.439 2.734 10 0 CFAEMO CCc1cc(C(=O)N(C)C[C@H]2CCC[N@@H+]2CC)oc1CC ZINC000129925609 394096947 /nfs/dbraw/zinc/09/69/47/394096947.db2.gz SIVGCWORTXRLJT-CQSZACIVSA-N 1 1 292.423 2.961 10 0 CFAEMO CCSCC[C@H](C)[N@@H+](C)C[C@H](O)COC(C)(C)C ZINC000126821372 394036275 /nfs/dbraw/zinc/03/62/75/394036275.db2.gz HFYHRJVUABPRNJ-STQMWFEESA-N 1 1 277.474 2.626 10 0 CFAEMO COc1cccc(OCC[N@H+]2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000132487139 394156699 /nfs/dbraw/zinc/15/66/99/394156699.db2.gz CKBWOGVIXAVJLJ-IRXDYDNUSA-N 1 1 291.391 2.717 10 0 CFAEMO CC(C)CCOCC[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152208781 394272814 /nfs/dbraw/zinc/27/28/14/394272814.db2.gz GUNDGHCTATZQOR-MRXNPFEDSA-N 1 1 278.396 2.597 10 0 CFAEMO CC1CCC([N@H+](C)Cc2nnc(C3CC3)n2C)CC1 ZINC000154731828 394300377 /nfs/dbraw/zinc/30/03/77/394300377.db2.gz NDWASPISWPOPRE-UHFFFAOYSA-N 1 1 262.401 2.703 10 0 CFAEMO CC1CCC([N@@H+](C)Cc2nnc(C3CC3)n2C)CC1 ZINC000154731828 394300379 /nfs/dbraw/zinc/30/03/79/394300379.db2.gz NDWASPISWPOPRE-UHFFFAOYSA-N 1 1 262.401 2.703 10 0 CFAEMO C[C@H](CN1CCN(C)CC1)[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000155046678 394308648 /nfs/dbraw/zinc/30/86/48/394308648.db2.gz VMBYSTKERCHKNX-IXDOHACOSA-N 1 1 295.515 2.817 10 0 CFAEMO CC[C@H]([NH2+][C@@H]1CCCn2ncnc21)c1ccc2c(c1)CCO2 ZINC000164687922 394369439 /nfs/dbraw/zinc/36/94/39/394369439.db2.gz OAHTUXSNXYVAFW-LSDHHAIUSA-N 1 1 298.390 2.789 10 0 CFAEMO c1n[nH]cc1[C@H]1CCCC[N@@H+]1CCc1cccnc1 ZINC000172166618 394372663 /nfs/dbraw/zinc/37/26/63/394372663.db2.gz GMOLZLALPNZIDH-OAHLLOKOSA-N 1 1 256.353 2.574 10 0 CFAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Cl)o1 ZINC000175050324 394380389 /nfs/dbraw/zinc/38/03/89/394380389.db2.gz AVLTYNQLGYYBLZ-GHMZBOCLSA-N 1 1 282.771 2.632 10 0 CFAEMO CC(C)CC1(C(=O)N2CC[N@H+]3CCC[C@H]3C2)CCCC1 ZINC000176298839 394381389 /nfs/dbraw/zinc/38/13/89/394381389.db2.gz XQXGTTFACYMAMP-HNNXBMFYSA-N 1 1 278.440 2.900 10 0 CFAEMO C[C@H](C1CC1)[N@@H+](C)CCN(C)Cc1ccc(F)cc1 ZINC000173203070 542989640 /nfs/dbraw/zinc/98/96/40/542989640.db2.gz UPBGQNSKBDRMQK-CYBMUJFWSA-N 1 1 264.388 2.988 10 0 CFAEMO CC(C)(C[N@H+]1CCO[C@@H](Cn2cccn2)C1)c1ccccc1 ZINC000180128246 543010860 /nfs/dbraw/zinc/01/08/60/543010860.db2.gz SKXIAJRTTKNHHT-QGZVFWFLSA-N 1 1 299.418 2.562 10 0 CFAEMO CCc1nn(C)cc1C[N@H+]1CCC[C@H]1c1ccco1 ZINC000180193480 543011636 /nfs/dbraw/zinc/01/16/36/543011636.db2.gz KFRSVZSZFNVDOG-AWEZNQCLSA-N 1 1 259.353 2.913 10 0 CFAEMO CCCc1nccnc1NC[C@H]1CC[N@H+](CCC)C1 ZINC000663417419 413195118 /nfs/dbraw/zinc/19/51/18/413195118.db2.gz UPBQKJGJXPSQSZ-CYBMUJFWSA-N 1 1 262.401 2.573 10 0 CFAEMO CCc1cc(N[C@@H]2CNc3ccccc3C2)nc(C)[nH+]1 ZINC000404469747 413205965 /nfs/dbraw/zinc/20/59/65/413205965.db2.gz ZYWHSQVCTYCWEO-AWEZNQCLSA-N 1 1 268.364 2.796 10 0 CFAEMO CCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)N[C@H](C)CC)C12CCCC2 ZINC000246967757 286331741 /nfs/dbraw/zinc/33/17/41/286331741.db2.gz KXEKKBJGAPFMCC-QLFBSQMISA-N 1 1 296.455 2.571 10 0 CFAEMO Cc1ccc2nc([C@@H]3CCCN3C3CC[NH2+]CC3)[nH]c2c1 ZINC000038042458 292393593 /nfs/dbraw/zinc/39/35/93/292393593.db2.gz SKJAAKKWJFGHBX-INIZCTEOSA-N 1 1 284.407 2.760 10 0 CFAEMO CC[C@@H]1C[N@@H+](CC2CCC(C)CC2)CCN1C[C@H](C)O ZINC000245769472 287192421 /nfs/dbraw/zinc/19/24/21/287192421.db2.gz RLPGANKCRNPKQO-ODZFXCKXSA-N 1 1 282.472 2.590 10 0 CFAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H](C)OCCC(C)C ZINC000253548077 287227735 /nfs/dbraw/zinc/22/77/35/287227735.db2.gz BOYOHMGZUOKYFC-OAGGEKHMSA-N 1 1 296.455 2.523 10 0 CFAEMO Nc1nc(N)c2c(/C=C/c3ccccc3)cccc2[nH+]1 ZINC000005974460 170164875 /nfs/dbraw/zinc/16/48/75/170164875.db2.gz YPIDSPOROIRHIL-MDZDMXLPSA-N 1 1 262.316 2.965 10 0 in-vivo CFAEMO CC(C)[C@H](C[NH2+]Cc1ccc(F)cc1F)N(C)C ZINC000020145438 171031063 /nfs/dbraw/zinc/03/10/63/171031063.db2.gz AYPLXZOSXWNUHO-AWEZNQCLSA-N 1 1 256.340 2.641 10 0 CFAEMO CC(C)[C@@H](CN[C@H](C)c1ccc(O)cc1)[NH+](C)C ZINC000020145599 171031157 /nfs/dbraw/zinc/03/11/57/171031157.db2.gz GMVWRSICHCCNII-IUODEOHRSA-N 1 1 250.386 2.629 10 0 CFAEMO CC(C)[C@H](C[NH2+]Cc1ccc(F)c(F)c1)N(C)C ZINC000020145490 171031371 /nfs/dbraw/zinc/03/13/71/171031371.db2.gz MMYOREHFJKXWGV-AWEZNQCLSA-N 1 1 256.340 2.641 10 0 CFAEMO COc1cccc([C@H](CN)[N@H+](C)CCc2ccccc2)c1 ZINC000020225837 171090302 /nfs/dbraw/zinc/09/03/02/171090302.db2.gz VVMZRKJMFDIADK-SFHVURJKSA-N 1 1 284.403 2.870 10 0 CFAEMO COc1cccc([C@H](CN)[N@@H+](C)CCc2ccccc2)c1 ZINC000020225837 171090304 /nfs/dbraw/zinc/09/03/04/171090304.db2.gz VVMZRKJMFDIADK-SFHVURJKSA-N 1 1 284.403 2.870 10 0 CFAEMO CC[N@H+]1CCC[C@@H]1CNc1ccc(Cl)cc1N ZINC000020384116 171175437 /nfs/dbraw/zinc/17/54/37/171175437.db2.gz YUJYBGBUUZIPAG-LLVKDONJSA-N 1 1 253.777 2.818 10 0 CFAEMO C[N@@H+]1[C@@H]2CC[C@H]1CC(N[C@@H]1CCCc3occc31)C2 ZINC000020524058 171236543 /nfs/dbraw/zinc/23/65/43/171236543.db2.gz FXWYKRSSDUOYOD-VYHDIPPYSA-N 1 1 260.381 2.872 10 0 CFAEMO CN1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CCCc3occc31)C2 ZINC000020524058 171236548 /nfs/dbraw/zinc/23/65/48/171236548.db2.gz FXWYKRSSDUOYOD-VYHDIPPYSA-N 1 1 260.381 2.872 10 0 CFAEMO NC[C@@H](Cc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000022173697 171369195 /nfs/dbraw/zinc/36/91/95/171369195.db2.gz WLNFUCDGVOGENR-GOSISDBHSA-N 1 1 266.388 2.615 10 0 CFAEMO NC[C@@H](Cc1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000022173697 171369196 /nfs/dbraw/zinc/36/91/96/171369196.db2.gz WLNFUCDGVOGENR-GOSISDBHSA-N 1 1 266.388 2.615 10 0 CFAEMO NC[C@H](Cc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000022173700 171369453 /nfs/dbraw/zinc/36/94/53/171369453.db2.gz WLNFUCDGVOGENR-SFHVURJKSA-N 1 1 266.388 2.615 10 0 CFAEMO NC[C@H](Cc1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000022173700 171369455 /nfs/dbraw/zinc/36/94/55/171369455.db2.gz WLNFUCDGVOGENR-SFHVURJKSA-N 1 1 266.388 2.615 10 0 CFAEMO CC(C)[N@@H+](C)CCC(=O)Nc1ccc(N)cc1Cl ZINC000022217421 171376339 /nfs/dbraw/zinc/37/63/39/171376339.db2.gz LIOLPVUJABOJHC-UHFFFAOYSA-N 1 1 269.776 2.591 10 0 CFAEMO Cc1[nH+]ccn1CCCC(=O)Nc1cc(Cl)ccc1N ZINC000022220343 171377338 /nfs/dbraw/zinc/37/73/38/171377338.db2.gz UEBDURPARBSZAW-UHFFFAOYSA-N 1 1 292.770 2.846 10 0 CFAEMO C[C@@H]1C[C@H](C)C[N@H+](Cc2cc(N)cc3c2OCOC3)C1 ZINC000034964108 171907752 /nfs/dbraw/zinc/90/77/52/171907752.db2.gz MBHRNKQQUIOYDY-TXEJJXNPSA-N 1 1 276.380 2.613 10 0 CFAEMO C[NH2+][C@H](c1cnn(C)c1)c1c(F)cccc1Cl ZINC000035500374 172234282 /nfs/dbraw/zinc/23/42/82/172234282.db2.gz HRIWLUZEYRFRBA-GFCCVEGCSA-N 1 1 253.708 2.521 10 0 CFAEMO O[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@@H](OC3CCC3)C2)C1 ZINC000660923209 413663897 /nfs/dbraw/zinc/66/38/97/413663897.db2.gz CKBDINOPIDDUGE-IIAWOOMASA-N 1 1 267.413 2.571 10 0 CFAEMO COc1cccc([C@@H](N)C[N@@H+](C)[C@@H](C)C(C)C)c1 ZINC000036787190 172705337 /nfs/dbraw/zinc/70/53/37/172705337.db2.gz XZEYTIOUTMOYNW-WFASDCNBSA-N 1 1 250.386 2.671 10 0 CFAEMO C[C@H]([NH2+]Cc1c(Cl)cccc1Cl)C(=O)N(C)C ZINC000036794131 172714250 /nfs/dbraw/zinc/71/42/50/172714250.db2.gz NKCGGXNDOHPDIS-QMMMGPOBSA-N 1 1 275.179 2.560 10 0 CFAEMO CC[C@H](C)C[N@@H+](C)Cc1ccccc1C(N)=S ZINC000037173243 173007712 /nfs/dbraw/zinc/00/77/12/173007712.db2.gz KQUJKXMBQKNBRQ-NSHDSACASA-N 1 1 250.411 2.799 10 0 CFAEMO CC[C@H](C)C[C@](CC)(CN)[N@@H+](C)[C@@H]1CCSC1 ZINC000037174634 173009456 /nfs/dbraw/zinc/00/94/56/173009456.db2.gz VBDLSXVRQMQJHR-BFHYXJOUSA-N 1 1 258.475 2.967 10 0 CFAEMO C[N@H+]1CCCC[C@@H]1CCSc1ccc(N)nc1 ZINC000037191964 173021047 /nfs/dbraw/zinc/02/10/47/173021047.db2.gz BHMNUQMOCXDMLA-LLVKDONJSA-N 1 1 251.399 2.630 10 0 CFAEMO COC(=O)c1ccccc1C[NH2+][C@H](C)c1ccncc1 ZINC000037217724 173036175 /nfs/dbraw/zinc/03/61/75/173036175.db2.gz BOTSIVWAJOGDJH-GFCCVEGCSA-N 1 1 270.332 2.719 10 0 CFAEMO CSCc1ccc(C[NH2+]CC(C)(C)N(C)C)o1 ZINC000037220580 173038823 /nfs/dbraw/zinc/03/88/23/173038823.db2.gz UQTYJQNUUQEAEE-UHFFFAOYSA-N 1 1 256.415 2.572 10 0 CFAEMO CCC[N@@H+]1CCC[C@H]([C@@H](C)NCc2ccncc2)C1 ZINC000037221163 173040348 /nfs/dbraw/zinc/04/03/48/173040348.db2.gz FEFPCKRFBMESDW-ZBFHGGJFSA-N 1 1 261.413 2.682 10 0 CFAEMO CCC[N@H+]1CCC[C@H]([C@@H](C)NCc2ccncc2)C1 ZINC000037221163 173040350 /nfs/dbraw/zinc/04/03/50/173040350.db2.gz FEFPCKRFBMESDW-ZBFHGGJFSA-N 1 1 261.413 2.682 10 0 CFAEMO CC[C@@H]([C@H]([NH3+])c1ccccc1)N1CCC(OC)CC1 ZINC000037266087 173074662 /nfs/dbraw/zinc/07/46/62/173074662.db2.gz RGPMXROKEAPPOL-JKSUJKDBSA-N 1 1 262.397 2.576 10 0 CFAEMO CC(C)[NH+]1CCN(CC(=O)c2cccc(Cl)c2)CC1 ZINC000037339699 173139825 /nfs/dbraw/zinc/13/98/25/173139825.db2.gz WIMLBNPHICBVEI-UHFFFAOYSA-N 1 1 280.799 2.549 10 0 CFAEMO C[C@@H](C(=O)c1ccc(F)cc1)[N@@H+](C)C1CCOCC1 ZINC000037339929 173141130 /nfs/dbraw/zinc/14/11/30/173141130.db2.gz WEIIPRFKVGMDAO-NSHDSACASA-N 1 1 265.328 2.508 10 0 CFAEMO Cc1ccc(C(=O)[C@H](C)[N@@H+](C)C2CCOCC2)cc1 ZINC000037340009 173141148 /nfs/dbraw/zinc/14/11/48/173141148.db2.gz PDPCCQPMKRVLOH-ZDUSSCGKSA-N 1 1 261.365 2.677 10 0 CFAEMO CC[C@H](C(=O)c1ccccc1)[N@@H+](C)C1CCOCC1 ZINC000037339961 173141774 /nfs/dbraw/zinc/14/17/74/173141774.db2.gz XERZXGSTEVOBLK-OAHLLOKOSA-N 1 1 261.365 2.759 10 0 CFAEMO Cc1c(C)n(-c2ccccc2F)c2nc[nH+]c(N)c12 ZINC000037353148 173146386 /nfs/dbraw/zinc/14/63/86/173146386.db2.gz KXKYNSMGTQHWJF-UHFFFAOYSA-N 1 1 256.284 2.759 10 0 CFAEMO C[C@H]1C[C@@H]1c1ccc(CNC[C@@H]2CC[N@H+](C3CC3)C2)o1 ZINC000037408387 173185228 /nfs/dbraw/zinc/18/52/28/173185228.db2.gz NJCWGRQVJMZOHF-XEZPLFJOSA-N 1 1 274.408 2.977 10 0 CFAEMO CCC[N@@H+](C1CC1)[C@@]1(CN)CCc2ccccc2C1 ZINC000037515733 173247616 /nfs/dbraw/zinc/24/76/16/173247616.db2.gz CPXNCHOTIRTHBW-KRWDZBQOSA-N 1 1 258.409 2.747 10 0 CFAEMO CCCN(C1CC1)[C@@]1(C[NH3+])CCc2ccccc2C1 ZINC000037515733 173247618 /nfs/dbraw/zinc/24/76/18/173247618.db2.gz CPXNCHOTIRTHBW-KRWDZBQOSA-N 1 1 258.409 2.747 10 0 CFAEMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)COCc1ccccc1 ZINC000662130212 414420744 /nfs/dbraw/zinc/42/07/44/414420744.db2.gz DAWMLMNZKHGNJU-ONQFOCNCSA-N 1 1 289.419 2.827 10 0 CFAEMO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCc2ccco2)o1 ZINC000037978117 173935252 /nfs/dbraw/zinc/93/52/52/173935252.db2.gz SAOBWTNEDDDWTE-NEPJUHHUSA-N 1 1 276.336 2.537 10 0 CFAEMO C[C@@H](CN[C@H]1CCOc2ccccc21)[NH+]1CCCCC1 ZINC000038028654 174017036 /nfs/dbraw/zinc/01/70/36/174017036.db2.gz HMHDLVJUXIWPFU-HOCLYGCPSA-N 1 1 274.408 2.974 10 0 CFAEMO Cc1nc2sccn2c1CNC[C@H](C)[NH+]1CCCCC1 ZINC000038028983 174018169 /nfs/dbraw/zinc/01/81/69/174018169.db2.gz OBOQFHBNDNWJHW-LBPRGKRZSA-N 1 1 292.452 2.668 10 0 CFAEMO C[N@H+]1CCCC[C@H]1CCN1CCc2c(N)cccc2C1 ZINC000038032881 174029510 /nfs/dbraw/zinc/02/95/10/174029510.db2.gz HDDLXWWKRJAGFT-HNNXBMFYSA-N 1 1 273.424 2.501 10 0 CFAEMO CC[C@@H](C)[NH2+][C@H](C(N)=O)c1cccc(Cl)c1Cl ZINC000038064792 174075448 /nfs/dbraw/zinc/07/54/48/174075448.db2.gz PYCLCAFBWRLGIG-HQJQHLMTSA-N 1 1 275.179 2.908 10 0 CFAEMO CC[C@@H](C)[NH2+][C@H](C(N)=O)c1ccc(Cl)cc1Cl ZINC000038065328 174076057 /nfs/dbraw/zinc/07/60/57/174076057.db2.gz KWOGOEZEHJZXBN-HQJQHLMTSA-N 1 1 275.179 2.908 10 0 CFAEMO CC[C@H](C)[NH2+][C@H](C(N)=O)c1ccc(Cl)cc1Cl ZINC000038065329 174076125 /nfs/dbraw/zinc/07/61/25/174076125.db2.gz KWOGOEZEHJZXBN-CPCISQLKSA-N 1 1 275.179 2.908 10 0 CFAEMO COc1ccc([C@@H](CN)[N@H+]2C[C@H](C)C[C@H](C)C2)c(OC)c1 ZINC000039789174 174173666 /nfs/dbraw/zinc/17/36/66/174173666.db2.gz TWCHKHWLCCKKNI-DVOMOZLQSA-N 1 1 292.423 2.682 10 0 CFAEMO COc1ccc([C@@H](CN)[N@@H+]2C[C@H](C)C[C@H](C)C2)c(OC)c1 ZINC000039789174 174173667 /nfs/dbraw/zinc/17/36/67/174173667.db2.gz TWCHKHWLCCKKNI-DVOMOZLQSA-N 1 1 292.423 2.682 10 0 CFAEMO CC(=O)c1c(F)cccc1OCC[C@@H]1CCC[N@@H+]1C ZINC000040240622 174213415 /nfs/dbraw/zinc/21/34/15/174213415.db2.gz TVEULDLTYMYGBN-LBPRGKRZSA-N 1 1 265.328 2.891 10 0 CFAEMO O[C@@H](Cc1[nH]cc[nH+]1)c1ccc(Br)s1 ZINC000040261590 174217312 /nfs/dbraw/zinc/21/73/12/174217312.db2.gz APQKDCNMNZOCPI-LURJTMIESA-N 1 1 273.155 2.510 10 0 CFAEMO CC[N@@H+]1CCC[C@@H](NCc2ccc(F)cc2F)C1 ZINC000040502018 174297901 /nfs/dbraw/zinc/29/79/01/174297901.db2.gz NCYBXNQILWWSCS-CYBMUJFWSA-N 1 1 254.324 2.539 10 0 CFAEMO CC[N@H+]1CCC[C@@H](NCc2ccc(F)cc2F)C1 ZINC000040502018 174297903 /nfs/dbraw/zinc/29/79/03/174297903.db2.gz NCYBXNQILWWSCS-CYBMUJFWSA-N 1 1 254.324 2.539 10 0 CFAEMO C[NH2+]C[C@@H]1CCCN(Cc2c[nH]c3ccccc23)C1 ZINC000040593380 174347377 /nfs/dbraw/zinc/34/73/77/174347377.db2.gz NPIRFBJJVNRUIQ-ZDUSSCGKSA-N 1 1 257.381 2.599 10 0 CFAEMO c1nc(C[NH2+]Cc2cc3c(s2)CCC3)cs1 ZINC000040626650 174356612 /nfs/dbraw/zinc/35/66/12/174356612.db2.gz DGGBQLVLZVFNPD-UHFFFAOYSA-N 1 1 250.392 2.983 10 0 CFAEMO Cn1cc[nH+]c1CCNc1ncc(Cl)cc1Cl ZINC000040639675 174363759 /nfs/dbraw/zinc/36/37/59/174363759.db2.gz UMKAGVDQWBJZCH-UHFFFAOYSA-N 1 1 271.151 2.777 10 0 CFAEMO CC(C)Oc1cccc([C@H](CN)[N@H+](C)C(C)C)c1 ZINC000040640905 174364339 /nfs/dbraw/zinc/36/43/39/174364339.db2.gz FIIPUZMQQVZLRM-HNNXBMFYSA-N 1 1 250.386 2.814 10 0 CFAEMO CC(C)Oc1cccc([C@H](CN)[N@@H+](C)C(C)C)c1 ZINC000040640905 174364340 /nfs/dbraw/zinc/36/43/40/174364340.db2.gz FIIPUZMQQVZLRM-HNNXBMFYSA-N 1 1 250.386 2.814 10 0 CFAEMO CCCCCC[C@H](CN)[NH+]1CCC(OCC)CC1 ZINC000040689095 174375985 /nfs/dbraw/zinc/37/59/85/174375985.db2.gz PGNDZKHDZIKESV-CQSZACIVSA-N 1 1 256.434 2.785 10 0 CFAEMO Cc1c(N)cccc1NC(=O)CCC[N@@H+]1CC[C@@H](C)C1 ZINC000040716901 174384199 /nfs/dbraw/zinc/38/41/99/174384199.db2.gz USTSBFDCNYXRIG-GFCCVEGCSA-N 1 1 275.396 2.638 10 0 CFAEMO C[C@H]1CC[N@@H+]([C@@H](CN)c2ccc(OC(F)(F)F)cc2)C1 ZINC000040717599 174385029 /nfs/dbraw/zinc/38/50/29/174385029.db2.gz CCFICXWUNMBJIP-GWCFXTLKSA-N 1 1 288.313 2.927 10 0 CFAEMO C[C@H]1CC[N@H+]([C@@H](CN)c2ccc(OC(F)(F)F)cc2)C1 ZINC000040717599 174385030 /nfs/dbraw/zinc/38/50/30/174385030.db2.gz CCFICXWUNMBJIP-GWCFXTLKSA-N 1 1 288.313 2.927 10 0 CFAEMO CCN(CCOc1cccc(C)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748216 174393247 /nfs/dbraw/zinc/39/32/47/174393247.db2.gz RXHYAPPYOWEIRH-SJPCQFCGSA-N 1 1 288.435 2.979 10 0 CFAEMO CC(C)c1cc(NCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ncn1 ZINC000040766440 174398029 /nfs/dbraw/zinc/39/80/29/174398029.db2.gz ZIWZOMAIQZMUQD-AGUYFDCRSA-N 1 1 274.412 2.885 10 0 CFAEMO Cn1cc([C@@H]([NH2+]C2CC2)c2nc3c(s2)CCCC3)cn1 ZINC000041201354 174509839 /nfs/dbraw/zinc/50/98/39/174509839.db2.gz MYPUKSKUDXGAIB-CQSZACIVSA-N 1 1 288.420 2.597 10 0 CFAEMO CCCO[C@H]1CCCN(Cc2ccc(C(N)=[NH2+])cc2F)C1 ZINC000042422681 174722348 /nfs/dbraw/zinc/72/23/48/174722348.db2.gz LQDKYHLZYQVYMY-AWEZNQCLSA-N 1 1 293.386 2.501 10 0 CFAEMO Cc1cc(C)cc(C[N@@H+](CCC(N)=S)C2CC2)c1 ZINC000042531532 174781925 /nfs/dbraw/zinc/78/19/25/174781925.db2.gz MXHUOKUIEQORKH-UHFFFAOYSA-N 1 1 262.422 2.944 10 0 CFAEMO C[C@H](CN1CCCC1)[NH2+]Cc1ccc(Br)o1 ZINC000042597250 174814764 /nfs/dbraw/zinc/81/47/64/174814764.db2.gz ANRVWIVUULSDLF-SNVBAGLBSA-N 1 1 287.201 2.616 10 0 CFAEMO C[C@@H]([N@@H+](C)CC(=O)Nc1ccc(F)cc1N)C(C)(C)C ZINC000042736544 174859086 /nfs/dbraw/zinc/85/90/86/174859086.db2.gz RFWGFPNOUSYHPR-SNVBAGLBSA-N 1 1 281.375 2.713 10 0 CFAEMO CC[N@H+](C[C@H]1CCCO1)[C@@H](CN)c1cccc(C)c1C ZINC000043314858 175004615 /nfs/dbraw/zinc/00/46/15/175004615.db2.gz HTKPLDMCINUVFH-WBVHZDCISA-N 1 1 276.424 2.804 10 0 CFAEMO CC[N@@H+](C[C@H]1CCCO1)[C@@H](CN)c1cccc(C)c1C ZINC000043314858 175004616 /nfs/dbraw/zinc/00/46/16/175004616.db2.gz HTKPLDMCINUVFH-WBVHZDCISA-N 1 1 276.424 2.804 10 0 CFAEMO C[C@H](N)[C@@H](c1ccccn1)[N@H+](C)CC1CCCCC1 ZINC000043340205 175014264 /nfs/dbraw/zinc/01/42/64/175014264.db2.gz CWLXJCZIGWMJKG-BBRMVZONSA-N 1 1 261.413 2.982 10 0 CFAEMO C[C@H](N)[C@@H](c1ccccn1)[N@@H+](C)CC1CCCCC1 ZINC000043340205 175014266 /nfs/dbraw/zinc/01/42/66/175014266.db2.gz CWLXJCZIGWMJKG-BBRMVZONSA-N 1 1 261.413 2.982 10 0 CFAEMO C[C@@H](N)[C@@H](c1ccccn1)[N@H+](C)CC1CCCCC1 ZINC000043340207 175014410 /nfs/dbraw/zinc/01/44/10/175014410.db2.gz CWLXJCZIGWMJKG-CJNGLKHVSA-N 1 1 261.413 2.982 10 0 CFAEMO C[C@@H](N)[C@@H](c1ccccn1)[N@@H+](C)CC1CCCCC1 ZINC000043340207 175014411 /nfs/dbraw/zinc/01/44/11/175014411.db2.gz CWLXJCZIGWMJKG-CJNGLKHVSA-N 1 1 261.413 2.982 10 0 CFAEMO CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)N1CCN(C(C)(C)C)CC1 ZINC000043364757 175025736 /nfs/dbraw/zinc/02/57/36/175025736.db2.gz YATSNJFDUAGKNQ-ZBFHGGJFSA-N 1 1 293.455 2.783 10 0 CFAEMO CC[C@@H](N)[C@@H](c1ccc(C)o1)[N@H+](CCO)C1CCCCC1 ZINC000043365195 175026487 /nfs/dbraw/zinc/02/64/87/175026487.db2.gz WNZGOIUKAVKUSL-WBVHZDCISA-N 1 1 294.439 2.993 10 0 CFAEMO CC[C@@H](N)[C@@H](c1ccc(C)o1)[N@@H+](CCO)C1CCCCC1 ZINC000043365195 175026489 /nfs/dbraw/zinc/02/64/89/175026489.db2.gz WNZGOIUKAVKUSL-WBVHZDCISA-N 1 1 294.439 2.993 10 0 CFAEMO CCC(CC)[N@@H+](CCO)[C@H](c1ccc(C)o1)[C@H](N)CC ZINC000043365187 175026552 /nfs/dbraw/zinc/02/65/52/175026552.db2.gz INDFVPCJTPUFLY-ZBFHGGJFSA-N 1 1 282.428 2.849 10 0 CFAEMO CCC(CC)[N@H+](CCO)[C@H](c1ccc(C)o1)[C@H](N)CC ZINC000043365187 175026554 /nfs/dbraw/zinc/02/65/54/175026554.db2.gz INDFVPCJTPUFLY-ZBFHGGJFSA-N 1 1 282.428 2.849 10 0 CFAEMO CC(C)CCc1noc([C@H]([NH3+])Cc2ccccc2)n1 ZINC000043373924 175029614 /nfs/dbraw/zinc/02/96/14/175029614.db2.gz ABUOKNYWJWDCLP-CYBMUJFWSA-N 1 1 259.353 2.901 10 0 CFAEMO C[N@H+]([C@H](CN)c1ccc(Cl)c(F)c1)C1CCOCC1 ZINC000043390362 175033626 /nfs/dbraw/zinc/03/36/26/175033626.db2.gz RBWIVIBWTJUUIO-CQSZACIVSA-N 1 1 286.778 2.590 10 0 CFAEMO C[N@@H+]([C@H](CN)c1ccc(Cl)c(F)c1)C1CCOCC1 ZINC000043390362 175033627 /nfs/dbraw/zinc/03/36/27/175033627.db2.gz RBWIVIBWTJUUIO-CQSZACIVSA-N 1 1 286.778 2.590 10 0 CFAEMO C[N@H+](CC1CC1)[C@@H](CN)c1ccc(Cl)c(F)c1 ZINC000043390404 175033859 /nfs/dbraw/zinc/03/38/59/175033859.db2.gz RKLHQSJVLZATIT-ZDUSSCGKSA-N 1 1 256.752 2.821 10 0 CFAEMO C[N@@H+](CC1CC1)[C@@H](CN)c1ccc(Cl)c(F)c1 ZINC000043390404 175033860 /nfs/dbraw/zinc/03/38/60/175033860.db2.gz RKLHQSJVLZATIT-ZDUSSCGKSA-N 1 1 256.752 2.821 10 0 CFAEMO CCC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)[O-])C1 ZINC000043433271 175044039 /nfs/dbraw/zinc/04/40/39/175044039.db2.gz PLMJJSYFSARCQG-KFWWJZLASA-N 1 1 284.444 2.586 10 0 CFAEMO O=Cc1ccc(OCC[NH+]2CCCC2)c(Cl)c1 ZINC000043489094 175056363 /nfs/dbraw/zinc/05/63/63/175056363.db2.gz IJNYSBLKUXIAHJ-UHFFFAOYSA-N 1 1 253.729 2.627 10 0 CFAEMO COCC[N@@H+](CC(C)C)C[C@H](O)c1ccc(C)c(C)c1 ZINC000043511702 175060212 /nfs/dbraw/zinc/06/02/12/175060212.db2.gz KNNHHJVLPPKZQX-KRWDZBQOSA-N 1 1 279.424 2.941 10 0 CFAEMO COC1CC[NH+]([C@H](CN)C[C@H](C)c2ccccc2)CC1 ZINC000043534720 175063080 /nfs/dbraw/zinc/06/30/80/175063080.db2.gz PQFPSXVIHXCLEL-HOCLYGCPSA-N 1 1 276.424 2.618 10 0 CFAEMO CCc1[nH+]ccn1-c1ccc(N)cc1Br ZINC000043601021 175077731 /nfs/dbraw/zinc/07/77/31/175077731.db2.gz GJDFHGOTSJPOGO-UHFFFAOYSA-N 1 1 266.142 2.779 10 0 CFAEMO C[N@H+]1CC[C@@H](CNCc2sccc2Br)C1 ZINC000043675040 175088417 /nfs/dbraw/zinc/08/84/17/175088417.db2.gz GGMIIHIUBNQXDN-VIFPVBQESA-N 1 1 289.242 2.552 10 0 CFAEMO C[N@H+]1CC[C@H](CNCc2sccc2Br)C1 ZINC000043675038 175088455 /nfs/dbraw/zinc/08/84/55/175088455.db2.gz GGMIIHIUBNQXDN-SECBINFHSA-N 1 1 289.242 2.552 10 0 CFAEMO CCCc1ccc([C@H](CN2CCN(CC)CC2)[NH2+]C)cc1 ZINC000043805852 175108076 /nfs/dbraw/zinc/10/80/76/175108076.db2.gz SOXKTQCDEDTJHL-SFHVURJKSA-N 1 1 289.467 2.537 10 0 CFAEMO CCN[C@H]1c2ccccc2C[C@H]1[NH+]1CCC(C)CC1 ZINC000043806674 175108260 /nfs/dbraw/zinc/10/82/60/175108260.db2.gz CTDWTNKDIHMTTP-SJORKVTESA-N 1 1 258.409 2.994 10 0 CFAEMO CCC[N@H+](CC)C[C@H](NC)c1cccc(OC)c1 ZINC000043884349 175116632 /nfs/dbraw/zinc/11/66/32/175116632.db2.gz JZLBHONJZMNISZ-HNNXBMFYSA-N 1 1 250.386 2.688 10 0 CFAEMO CCC[N@@H+](CC)C[C@H](NC)c1cccc(OC)c1 ZINC000043884349 175116633 /nfs/dbraw/zinc/11/66/33/175116633.db2.gz JZLBHONJZMNISZ-HNNXBMFYSA-N 1 1 250.386 2.688 10 0 CFAEMO CCC[N@@H+](CC)C[C@H](NC)c1cc(OC)ccc1OC ZINC000043884365 175116794 /nfs/dbraw/zinc/11/67/94/175116794.db2.gz FSJSHPREGDVSNI-HNNXBMFYSA-N 1 1 280.412 2.696 10 0 CFAEMO CCCN(CC)C[C@H]([NH2+]C)c1cc(OC)ccc1OC ZINC000043884365 175116795 /nfs/dbraw/zinc/11/67/95/175116795.db2.gz FSJSHPREGDVSNI-HNNXBMFYSA-N 1 1 280.412 2.696 10 0 CFAEMO CCC[N@H+](C[C@H](NC)c1ccc2c(c1)OCCO2)C1CC1 ZINC000043885404 175116929 /nfs/dbraw/zinc/11/69/29/175116929.db2.gz OJHXCJNYXSCSBK-HNNXBMFYSA-N 1 1 290.407 2.593 10 0 CFAEMO CCC[N@@H+](C[C@H](NC)c1ccc2c(c1)OCCO2)C1CC1 ZINC000043885404 175116930 /nfs/dbraw/zinc/11/69/30/175116930.db2.gz OJHXCJNYXSCSBK-HNNXBMFYSA-N 1 1 290.407 2.593 10 0 CFAEMO CC[C@H](C)C[N@H+](C)[C@@H]1COc2ccccc2[C@@H]1NC ZINC000043889586 175117697 /nfs/dbraw/zinc/11/76/97/175117697.db2.gz IUDFFCBXCPJRPY-BJJXKVORSA-N 1 1 262.397 2.686 10 0 CFAEMO CC[C@H](C)C[N@@H+](C)[C@@H]1COc2ccccc2[C@@H]1NC ZINC000043889586 175117698 /nfs/dbraw/zinc/11/76/98/175117698.db2.gz IUDFFCBXCPJRPY-BJJXKVORSA-N 1 1 262.397 2.686 10 0 CFAEMO CN[C@H]1c2ccccc2CCC[C@H]1[NH+]1CCC(OC)CC1 ZINC000043889874 175117845 /nfs/dbraw/zinc/11/78/45/175117845.db2.gz OVLFOUDLKZJEIB-MSOLQXFVSA-N 1 1 288.435 2.763 10 0 CFAEMO CCCN[C@@H]1c2ccccc2C[C@H]1[N@H+](C)C1CCOCC1 ZINC000043898710 175121533 /nfs/dbraw/zinc/12/15/33/175121533.db2.gz QAIFFGQKJZPRCN-QZTJIDSGSA-N 1 1 288.435 2.763 10 0 CFAEMO CCCN[C@@H]1c2ccccc2C[C@H]1[N@@H+](C)C1CCOCC1 ZINC000043898710 175121534 /nfs/dbraw/zinc/12/15/34/175121534.db2.gz QAIFFGQKJZPRCN-QZTJIDSGSA-N 1 1 288.435 2.763 10 0 CFAEMO CCN[C@@H](C[N@H+](C)CC1CC1)c1ccc(OC)cc1 ZINC000043905867 175122446 /nfs/dbraw/zinc/12/24/46/175122446.db2.gz DHJCTYBCDGQRDX-INIZCTEOSA-N 1 1 262.397 2.688 10 0 CFAEMO CCN[C@@H](C[N@@H+](C)CC1CC1)c1ccc(OC)cc1 ZINC000043905867 175122447 /nfs/dbraw/zinc/12/24/47/175122447.db2.gz DHJCTYBCDGQRDX-INIZCTEOSA-N 1 1 262.397 2.688 10 0 CFAEMO CCN[C@@H]1c2ccccc2OC[C@H]1[N@@H+]1CCC[C@@H]1C ZINC000043903381 175122576 /nfs/dbraw/zinc/12/25/76/175122576.db2.gz GSJGZXMWYVQUEI-JGGQBBKZSA-N 1 1 260.381 2.583 10 0 CFAEMO CCN[C@@H]1c2ccccc2OC[C@H]1[N@H+]1CCC[C@@H]1C ZINC000043903381 175122577 /nfs/dbraw/zinc/12/25/77/175122577.db2.gz GSJGZXMWYVQUEI-JGGQBBKZSA-N 1 1 260.381 2.583 10 0 CFAEMO CCN[C@H](C[N@@H+]1CCC[C@@H]1C)c1ccc(OC)cc1OC ZINC000043902926 175122738 /nfs/dbraw/zinc/12/27/38/175122738.db2.gz WRIPXAILUGXAJW-XJKSGUPXSA-N 1 1 292.423 2.839 10 0 CFAEMO CCN[C@H](C[N@H+]1CCC[C@@H]1C)c1ccc(OC)cc1OC ZINC000043902926 175122740 /nfs/dbraw/zinc/12/27/40/175122740.db2.gz WRIPXAILUGXAJW-XJKSGUPXSA-N 1 1 292.423 2.839 10 0 CFAEMO CCOc1ccccc1[C@@H](C[N@@H+]1CCC[C@@H]1C)NC ZINC000043902659 175122852 /nfs/dbraw/zinc/12/28/52/175122852.db2.gz MMEXPXBJXCULLH-DZGCQCFKSA-N 1 1 262.397 2.830 10 0 CFAEMO CCOc1ccccc1[C@@H](C[N@H+]1CCC[C@@H]1C)NC ZINC000043902659 175122853 /nfs/dbraw/zinc/12/28/53/175122853.db2.gz MMEXPXBJXCULLH-DZGCQCFKSA-N 1 1 262.397 2.830 10 0 CFAEMO CN[C@H](C[N@H+](C)CCC(C)C)c1cccc(OC)c1 ZINC000043914504 175124688 /nfs/dbraw/zinc/12/46/88/175124688.db2.gz MGNAHDWNGMTULK-MRXNPFEDSA-N 1 1 264.413 2.934 10 0 CFAEMO CN[C@H](C[N@@H+](C)CCC(C)C)c1cccc(OC)c1 ZINC000043914504 175124689 /nfs/dbraw/zinc/12/46/89/175124689.db2.gz MGNAHDWNGMTULK-MRXNPFEDSA-N 1 1 264.413 2.934 10 0 CFAEMO CCC[NH2+][C@@H](CCC)[C@@H](CC)N1CCN(C2CC2)CC1 ZINC000043967798 175128963 /nfs/dbraw/zinc/12/89/63/175128963.db2.gz DNEGPZJZSNXPAW-DLBZAZTESA-N 1 1 281.488 2.713 10 0 CFAEMO CC[C@@H]1CCC[N@H+]1[C@@H]1CCc2cc(OC)ccc2[C@@H]1O ZINC000044112658 175141049 /nfs/dbraw/zinc/14/10/49/175141049.db2.gz JTQILGXVBLOGHQ-XYPHTWIQSA-N 1 1 275.392 2.918 10 0 CFAEMO CCC[NH+]1CCN([C@H](C(C)C)[C@@H](O)c2ccccc2)CC1 ZINC000044114134 175141194 /nfs/dbraw/zinc/14/11/94/175141194.db2.gz DMCKWEPZMCWTAZ-MSOLQXFVSA-N 1 1 290.451 2.772 10 0 CFAEMO CCCN1CC[NH+]([C@H](C)[C@H](O)c2ccc(CC)cc2)CC1 ZINC000044114335 175141474 /nfs/dbraw/zinc/14/14/74/175141474.db2.gz LQDUEFOUIHGXDA-QAPCUYQASA-N 1 1 290.451 2.699 10 0 CFAEMO CCC[N@@H+](C[C@H](O)c1ccc2c(c1)OCCO2)C(C)C ZINC000044127169 175144343 /nfs/dbraw/zinc/14/43/43/175144343.db2.gz UPDYMOQFIBKKKE-AWEZNQCLSA-N 1 1 279.380 2.612 10 0 CFAEMO CCOc1ccccc1[C@@H](O)C[N@@H+](C)[C@@H](C)CC ZINC000044126620 175144361 /nfs/dbraw/zinc/14/43/61/175144361.db2.gz QWGSMQQSNYGDIX-JSGCOSHPSA-N 1 1 251.370 2.849 10 0 CFAEMO CCC[N@@H+](C)C[C@H](O)C12CC3CC(CC(C3)C1)C2 ZINC000044127468 175144447 /nfs/dbraw/zinc/14/44/47/175144447.db2.gz AMYNVZOFHGRKPM-DQGBIZLVSA-N 1 1 251.414 2.906 10 0 CFAEMO CCc1ccc([C@@H](O)[C@H](C)[NH+]2CCN(C(C)C)CC2)cc1 ZINC000044132889 175144605 /nfs/dbraw/zinc/14/46/05/175144605.db2.gz XMNVMSBEMABYBK-YJBOKZPZSA-N 1 1 290.451 2.697 10 0 CFAEMO CCC[N@@H+](C[C@@H](O)c1ccc(OCC)cc1)C1CC1 ZINC000044130764 175144940 /nfs/dbraw/zinc/14/49/40/175144940.db2.gz PERHEKVXNYXENV-MRXNPFEDSA-N 1 1 263.381 2.993 10 0 CFAEMO C[C@H]([C@@H](O)c1ccccc1)[N@@H+](C)Cc1cccnc1 ZINC000044133830 175145247 /nfs/dbraw/zinc/14/52/47/175145247.db2.gz KKTUDVKSXGZBCW-CZUORRHYSA-N 1 1 256.349 2.636 10 0 CFAEMO CCC(CC)[N@@H+](C)C[C@@H](O)c1cc(OC)ccc1OC ZINC000044134286 175145593 /nfs/dbraw/zinc/14/55/93/175145593.db2.gz YAOJDUSMABAAIE-OAHLLOKOSA-N 1 1 281.396 2.858 10 0 CFAEMO C[C@H]1CCC[C@H]([N@@H+](C)[C@@H]2COc3ccccc3[C@@H]2O)C1 ZINC000044168471 175148306 /nfs/dbraw/zinc/14/83/06/175148306.db2.gz JJLYVCSTHQQDQG-LBEHMCEESA-N 1 1 275.392 2.992 10 0 CFAEMO COCC[N@@H+]([C@@H](C(C)C)[C@@H](O)c1ccccc1)C1CC1 ZINC000044171899 175149018 /nfs/dbraw/zinc/14/90/18/175149018.db2.gz LRQXRADXPVROET-IRXDYDNUSA-N 1 1 277.408 2.855 10 0 CFAEMO CC[N@@H+](CCOC)[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1O ZINC000044173032 175149052 /nfs/dbraw/zinc/14/90/52/175149052.db2.gz VLPOTBMGVRVMOY-ZNMIVQPWSA-N 1 1 271.445 2.921 10 0 CFAEMO CC[C@H]([C@H](O)c1ccccc1)[N@@H+](CCOC)C1CC1 ZINC000044172010 175149519 /nfs/dbraw/zinc/14/95/19/175149519.db2.gz SDNREUAXNDWALL-HZPDHXFCSA-N 1 1 263.381 2.609 10 0 CFAEMO COc1ccc(C[N@@H+](C)[C@H]2CCCCC[C@@H]2O)cc1 ZINC000044171329 175149543 /nfs/dbraw/zinc/14/95/43/175149543.db2.gz OOBNTCXIMSNYCZ-HOTGVXAUSA-N 1 1 263.381 2.821 10 0 CFAEMO CCc1ccc([C@H](O)[C@@H](C)[N@@H+](CC)CCOC)cc1 ZINC000044173334 175149579 /nfs/dbraw/zinc/14/95/79/175149579.db2.gz VLXUOSGDLSMLCM-CZUORRHYSA-N 1 1 265.397 2.639 10 0 CFAEMO CC[C@@H]1CO[C@H](C)C[N@H+]1[C@@H]1CCc2ccccc2[C@@H]1O ZINC000044175741 175149952 /nfs/dbraw/zinc/14/99/52/175149952.db2.gz KBELCHIPTNPTTJ-WNOSKKOXSA-N 1 1 275.392 2.534 10 0 CFAEMO CC(C)C[N@@H+](C(C)C)[C@H]1COc2ccccc2[C@@H]1O ZINC000044177244 175150182 /nfs/dbraw/zinc/15/01/82/175150182.db2.gz CUGRIGOMCIWYKP-HOCLYGCPSA-N 1 1 263.381 2.847 10 0 CFAEMO CC(C)c1ccc([C@H](O)CN2CC[NH+](C3CC3)CC2)cc1 ZINC000044179419 175150477 /nfs/dbraw/zinc/15/04/77/175150477.db2.gz WGLAMQQTCNUQAT-GOSISDBHSA-N 1 1 288.435 2.623 10 0 CFAEMO CCO[C@@H]1CCC[N@H+]([C@@H]2CCCCCC[C@@H]2O)C1 ZINC000044179708 175150863 /nfs/dbraw/zinc/15/08/63/175150863.db2.gz GERKMQQDLDSXOC-KFWWJZLASA-N 1 1 255.402 2.571 10 0 CFAEMO COc1cccc(C[N@@H+](C)[C@@H]2CCCCC[C@@H]2O)c1 ZINC000044180154 175151493 /nfs/dbraw/zinc/15/14/93/175151493.db2.gz KVGKHOWEIVYAPT-CVEARBPZSA-N 1 1 263.381 2.821 10 0 CFAEMO C[C@@H]1CC[C@@H](O)[C@H]([N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000044180242 175151588 /nfs/dbraw/zinc/15/15/88/175151588.db2.gz HEDFKVYWMDMBQZ-KCPJHIHWSA-N 1 1 251.345 2.807 10 0 CFAEMO COc1ccccc1[C@H](O)Cn1cc[nH+]c1C(C)C ZINC000044185331 175151949 /nfs/dbraw/zinc/15/19/49/175151949.db2.gz IVAPCKQRXVLNQM-CYBMUJFWSA-N 1 1 260.337 2.749 10 0 CFAEMO CCC[NH2+][C@@H](c1nccn1C)c1cc(OC)ccc1OC ZINC000044482433 175180102 /nfs/dbraw/zinc/18/01/02/175180102.db2.gz BWHXJHWIIGIXNF-OAHLLOKOSA-N 1 1 289.379 2.526 10 0 CFAEMO CCn1cc([C@@H](C)[NH2+][C@@H](CN(C)C)c2ccccc2)cn1 ZINC000044495157 175182567 /nfs/dbraw/zinc/18/25/67/175182567.db2.gz MVMAHJIFQLOGKT-PBHICJAKSA-N 1 1 286.423 2.857 10 0 CFAEMO CCn1cc([C@H](C)[N@H+]2CCc3c(N)cccc3C2)cn1 ZINC000044500899 175185333 /nfs/dbraw/zinc/18/53/33/175185333.db2.gz MTMKOVMXNQGQJM-LBPRGKRZSA-N 1 1 270.380 2.605 10 0 CFAEMO C[N@H+]1CCC[C@H](CNCc2cc3c(c(Cl)c2)OCO3)C1 ZINC000044533920 175197775 /nfs/dbraw/zinc/19/77/75/175197775.db2.gz QSWDLODFYLWFJR-LLVKDONJSA-N 1 1 296.798 2.500 10 0 CFAEMO CN1CCC[C@H](C[NH2+]Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000044533920 175197779 /nfs/dbraw/zinc/19/77/79/175197779.db2.gz QSWDLODFYLWFJR-LLVKDONJSA-N 1 1 296.798 2.500 10 0 CFAEMO CCOc1cccc(CNC[C@@H]2CCC[N@@H+](C)C2)c1OC ZINC000044533187 175197967 /nfs/dbraw/zinc/19/79/67/175197967.db2.gz ZWWLOLCCNQTHBH-AWEZNQCLSA-N 1 1 292.423 2.525 10 0 CFAEMO C[C@@H](NC[C@@H]1CCCC[N@@H+]1C)c1nc2ccccc2n1C ZINC000044561796 175204801 /nfs/dbraw/zinc/20/48/01/175204801.db2.gz ZQRNSANOXCOUPL-KGLIPLIRSA-N 1 1 286.423 2.708 10 0 CFAEMO C[C@@H](NC[C@@H]1CCCC[N@H+]1C)c1nc2ccccc2n1C ZINC000044561796 175204803 /nfs/dbraw/zinc/20/48/03/175204803.db2.gz ZQRNSANOXCOUPL-KGLIPLIRSA-N 1 1 286.423 2.708 10 0 CFAEMO C[N@H+]1CCCC[C@H]1CNc1ccc(N)c(OC(C)(C)C)n1 ZINC000044563593 175206283 /nfs/dbraw/zinc/20/62/83/175206283.db2.gz HILIVLXSMSIZSO-LBPRGKRZSA-N 1 1 292.427 2.737 10 0 CFAEMO C[N@H+]1CCCC[C@@H]1CNc1ncnc2sccc21 ZINC000044563151 175206360 /nfs/dbraw/zinc/20/63/60/175206360.db2.gz VNNYLDZMKAOSKE-SNVBAGLBSA-N 1 1 262.382 2.588 10 0 CFAEMO C[N@@H+]1CCCC[C@H]1Cn1c(N)nc2cccc(Cl)c21 ZINC000044563655 175206675 /nfs/dbraw/zinc/20/66/75/175206675.db2.gz OFQLYUKXMLNCFX-JTQLQIEISA-N 1 1 278.787 2.756 10 0 CFAEMO C[N@H+]1CCCC[C@H]1Cn1c(N)nc2cccc(Cl)c21 ZINC000044563655 175206676 /nfs/dbraw/zinc/20/66/76/175206676.db2.gz OFQLYUKXMLNCFX-JTQLQIEISA-N 1 1 278.787 2.756 10 0 CFAEMO CC(C)C[C@H]1CSC(NC[C@@H]2CCCCN2C)=[NH+]1 ZINC000044563824 175207232 /nfs/dbraw/zinc/20/72/32/175207232.db2.gz FBTFJIXHLHOKDE-STQMWFEESA-N 1 1 269.458 2.578 10 0 CFAEMO CC(C)C[C@@H]1CSC(NC[C@@H]2CCCCN2C)=[NH+]1 ZINC000044563822 175207286 /nfs/dbraw/zinc/20/72/86/175207286.db2.gz FBTFJIXHLHOKDE-OLZOCXBDSA-N 1 1 269.458 2.578 10 0 CFAEMO C[N@H+]1CCCC[C@@H]1CNc1ccc2ncccc2c1N ZINC000044563701 175207817 /nfs/dbraw/zinc/20/78/17/175207817.db2.gz BSYRVMWWJJPYCY-GFCCVEGCSA-N 1 1 270.380 2.713 10 0 CFAEMO Nc1ccc(N[C@H]2CC[N@H+](C3CC3)C2)c(C(F)(F)F)c1 ZINC000044689571 175232504 /nfs/dbraw/zinc/23/25/04/175232504.db2.gz HRZBMCGAMFOLRY-JTQLQIEISA-N 1 1 285.313 2.936 10 0 CFAEMO Nc1ccc(N[C@@H]2CC[N@H+](C3CC3)C2)c(Cl)c1 ZINC000044689157 175232934 /nfs/dbraw/zinc/23/29/34/175232934.db2.gz ADMQKCFQAAFACI-SNVBAGLBSA-N 1 1 251.761 2.571 10 0 CFAEMO Cc1[nH+]ccn1CCOc1ccc2c(c1)CCC[C@@H]2O ZINC000044746082 175242247 /nfs/dbraw/zinc/24/22/47/175242247.db2.gz CDRUKGKXQOBJIQ-INIZCTEOSA-N 1 1 272.348 2.640 10 0 CFAEMO C[N@@H+](CCCC(=O)Nc1cccc(N)c1)CC(C)(C)C ZINC000045064694 175299493 /nfs/dbraw/zinc/29/94/93/175299493.db2.gz BSAAMTLXBDFBLY-UHFFFAOYSA-N 1 1 277.412 2.965 10 0 CFAEMO COc1ccc(OC)c([C@@H](N)C[N@@H+](C)CC(C)(C)C)c1 ZINC000045072661 175302056 /nfs/dbraw/zinc/30/20/56/175302056.db2.gz HZFVEDRTXRRYJT-AWEZNQCLSA-N 1 1 280.412 2.682 10 0 CFAEMO COc1ccc(OC)c([C@@H]([NH3+])CN(C)CC(C)(C)C)c1 ZINC000045072661 175302058 /nfs/dbraw/zinc/30/20/58/175302058.db2.gz HZFVEDRTXRRYJT-AWEZNQCLSA-N 1 1 280.412 2.682 10 0 CFAEMO O=C(C[N@H+]1CCC[C@@H]1C1CCCC1)c1ccc(O)cc1O ZINC000045085204 175303518 /nfs/dbraw/zinc/30/35/18/175303518.db2.gz SIAONJIXWQXQCK-OAHLLOKOSA-N 1 1 289.375 2.935 10 0 CFAEMO Cc1nn(C)c(C)c1[C@H](C)[NH2+]C1CCN(C(C)C)CC1 ZINC000045168743 175319724 /nfs/dbraw/zinc/31/97/24/175319724.db2.gz NAAMGHYABMOBPG-LBPRGKRZSA-N 1 1 278.444 2.560 10 0 CFAEMO Cc1nn(C)c(C)c1[C@H](C)NC[C@H](CC(C)C)[NH+](C)C ZINC000045168911 175320087 /nfs/dbraw/zinc/32/00/87/175320087.db2.gz BPFLMEJCXZSTTA-WFASDCNBSA-N 1 1 280.460 2.664 10 0 CFAEMO Cc1nn(C)c(C)c1[C@@H](C)NC[C@H](CC(C)C)[NH+](C)C ZINC000045168910 175320214 /nfs/dbraw/zinc/32/02/14/175320214.db2.gz BPFLMEJCXZSTTA-DOMZBBRYSA-N 1 1 280.460 2.664 10 0 CFAEMO CCn1nc(C)c([C@H](C)NC[C@@H]2CC[N@H+](CC)C2)c1C ZINC000045171400 175321217 /nfs/dbraw/zinc/32/12/17/175321217.db2.gz ZOXGKNXTKBCFBQ-WFASDCNBSA-N 1 1 278.444 2.512 10 0 CFAEMO CCn1nc(C)c([C@H](C)NC[C@@H]2CC[N@@H+](CC)C2)c1C ZINC000045171400 175321218 /nfs/dbraw/zinc/32/12/18/175321218.db2.gz ZOXGKNXTKBCFBQ-WFASDCNBSA-N 1 1 278.444 2.512 10 0 CFAEMO CCCN[C@](C)(C[N@@H+](CC)C1CCCCC1)C(=O)OCC ZINC000045224065 175331833 /nfs/dbraw/zinc/33/18/33/175331833.db2.gz VCLUOQLKIDZMRH-QGZVFWFLSA-N 1 1 298.471 2.962 10 0 CFAEMO CC[N@@H+](CC[C@@](C)(NC1CC1)C(=O)OC)C1CCCCC1 ZINC000045224174 175332397 /nfs/dbraw/zinc/33/23/97/175332397.db2.gz LKNVCUOIMTXQNQ-QGZVFWFLSA-N 1 1 296.455 2.715 10 0 CFAEMO CCOC(=O)[C@@](C)(C[N@@H+](CC)C1CCCCC1)NC(C)C ZINC000045224076 175332402 /nfs/dbraw/zinc/33/24/02/175332402.db2.gz NYZOXVULSJDDNN-QGZVFWFLSA-N 1 1 298.471 2.961 10 0 CFAEMO CCCN[C@@](C)(C[N@@H+](C)C1CCCCC1)C(=O)OCC ZINC000045231165 175334868 /nfs/dbraw/zinc/33/48/68/175334868.db2.gz FLMZVQLZGHQGLX-INIZCTEOSA-N 1 1 284.444 2.572 10 0 CFAEMO CCOC(=O)[C@](C)(CC[N@@H+]1[C@H](C)CCC[C@@H]1C)NC(C)C ZINC000045231975 175335359 /nfs/dbraw/zinc/33/53/59/175335359.db2.gz OTYOOIJKBGZGSF-UXLLHSPISA-N 1 1 298.471 2.959 10 0 CFAEMO CC[N@@H+](CC[C@@](C)(NC(C)C)C(=O)OC)C1CCCC1 ZINC000045269323 175341221 /nfs/dbraw/zinc/34/12/21/175341221.db2.gz QGFLLDRSVWONBM-MRXNPFEDSA-N 1 1 284.444 2.571 10 0 CFAEMO CCOC(=O)[C@@](C)(CC[N@@H+](C)[C@@H](C)C(C)C)NC(C)C ZINC000045269966 175341447 /nfs/dbraw/zinc/34/14/47/175341447.db2.gz PFFYDALGNRRLTK-GOEBONIOSA-N 1 1 286.460 2.673 10 0 CFAEMO CCCN[C@](C)(CC[N@@H+](CC)C1CCCC1)C(=O)OC ZINC000045269311 175341843 /nfs/dbraw/zinc/34/18/43/175341843.db2.gz MKNKPOCEPXSLSG-MRXNPFEDSA-N 1 1 284.444 2.572 10 0 CFAEMO CCCN[C@](C)(CC[N@@H+](C)[C@@H](C)C(C)(C)C)C(=O)OC ZINC000045274833 175345129 /nfs/dbraw/zinc/34/51/29/175345129.db2.gz ZKQZCRMOAVWNJJ-XJKSGUPXSA-N 1 1 286.460 2.674 10 0 CFAEMO CCN[C@@](C)(C[N@@H+](CC)CC(CC)CC)C(=O)OCC ZINC000045277783 175347326 /nfs/dbraw/zinc/34/73/26/175347326.db2.gz FPMZQEPTVYXEOU-INIZCTEOSA-N 1 1 286.460 2.676 10 0 CFAEMO CCCCC[N@@H+](CC[C@](C)(N)C(=O)OCC)C(C)C ZINC000045278617 175348288 /nfs/dbraw/zinc/34/82/88/175348288.db2.gz TVQZSNSDHDNGMF-HNNXBMFYSA-N 1 1 272.433 2.558 10 0 CFAEMO CCOC(=O)[C@@](C)(CC[N@@H+](C)CC(C)(C)C)NC(C)C ZINC000045279393 175349314 /nfs/dbraw/zinc/34/93/14/175349314.db2.gz XFZRZKWVFXRESY-MRXNPFEDSA-N 1 1 286.460 2.674 10 0 CFAEMO CCOC(=O)[C@](C)(C[N@@H+](C)CC1CCCCC1)NC(C)C ZINC000045281588 175352919 /nfs/dbraw/zinc/35/29/19/175352919.db2.gz AWQYCXNPQUHUDU-KRWDZBQOSA-N 1 1 298.471 2.818 10 0 CFAEMO CCN[C@](C)(CCCC[N@H+]1CCC[C@@H]1C)C(=O)OCC ZINC000045367794 175362940 /nfs/dbraw/zinc/36/29/40/175362940.db2.gz CFKNGJNJCKWMCD-GOEBONIOSA-N 1 1 284.444 2.572 10 0 CFAEMO CCCC[N@@H+](C)CCCC[C@@](C)(NC(C)C)C(=O)OC ZINC000045368267 175363300 /nfs/dbraw/zinc/36/33/00/175363300.db2.gz ZWRIQBUJSLXTRS-MRXNPFEDSA-N 1 1 286.460 2.818 10 0 CFAEMO CCCC[NH+](CCCC)CCC[C@@](C)(N)C(=O)OCC ZINC000045380606 175368967 /nfs/dbraw/zinc/36/89/67/175368967.db2.gz OUWBZYXDHPTBES-MRXNPFEDSA-N 1 1 286.460 2.949 10 0 CFAEMO CCC[NH2+][C@@](C)(CCCC[N@@H+](C)CC(C)C)C(=O)[O-] ZINC000045380807 175369621 /nfs/dbraw/zinc/36/96/21/175369621.db2.gz ARXDNPXXRQSQHV-HNNXBMFYSA-N 1 1 272.433 2.587 10 0 CFAEMO COC(=O)[C@@](C)(CCCC[N@@H+](C)C1CCCC1)NC(C)C ZINC000045384734 175371828 /nfs/dbraw/zinc/37/18/28/175371828.db2.gz JZLRKWPSSHAYDH-QGZVFWFLSA-N 1 1 298.471 2.961 10 0 CFAEMO CCOC(=O)[C@@](C)(N)CCCC[N@H+](CC)[C@@H](C)CC ZINC000045385256 175372016 /nfs/dbraw/zinc/37/20/16/175372016.db2.gz PEPNCEMOBPYUMF-ZFWWWQNUSA-N 1 1 272.433 2.558 10 0 CFAEMO CCOC(=O)[C@@](C)(N)CCCC[N@@H+](CC)[C@@H](C)CC ZINC000045385256 175372017 /nfs/dbraw/zinc/37/20/17/175372017.db2.gz PEPNCEMOBPYUMF-ZFWWWQNUSA-N 1 1 272.433 2.558 10 0 CFAEMO CCN[C@@](C)(CCCC[N@@H+](C)C1CCCC1)C(=O)OC ZINC000045384686 175372323 /nfs/dbraw/zinc/37/23/23/175372323.db2.gz ADCYDYRBCZOQCW-INIZCTEOSA-N 1 1 284.444 2.572 10 0 CFAEMO CCN[C@@](C)(CCCC[N@@H+](C)C[C@@H](C)CC)C(=O)OC ZINC000045388509 175373991 /nfs/dbraw/zinc/37/39/91/175373991.db2.gz HUTRMPBXRXGWQR-HOCLYGCPSA-N 1 1 286.460 2.676 10 0 CFAEMO CCCCC[N@@H+](C)CCC[C@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045388069 175374263 /nfs/dbraw/zinc/37/42/63/175374263.db2.gz NQZQASGKMADYOS-HNNXBMFYSA-N 1 1 272.433 2.730 10 0 CFAEMO CC[N@@H+](CCC[C@](C)([NH2+]C1CC1)C(=O)[O-])C1CCCC1 ZINC000045390563 175374346 /nfs/dbraw/zinc/37/43/46/175374346.db2.gz PMAWYPXBLYTUNA-INIZCTEOSA-N 1 1 282.428 2.626 10 0 CFAEMO CC[NH2+][C@](C)(CCCC[N@@H+](C)C(CC)CC)C(=O)[O-] ZINC000045391361 175375018 /nfs/dbraw/zinc/37/50/18/175375018.db2.gz DDYQQCMQNUVAEM-OAHLLOKOSA-N 1 1 272.433 2.730 10 0 CFAEMO CCOC(=O)[C@@](C)(CCCC[N@@H+](C)[C@@H](C)C(C)C)NC ZINC000045391963 175375342 /nfs/dbraw/zinc/37/53/42/175375342.db2.gz HGNHIRFMZRAFJP-GOEBONIOSA-N 1 1 286.460 2.674 10 0 CFAEMO CCN[C@@](C)(CCC[N@H+]1CCC[C@@H](CC)C1)C(=O)OCC ZINC000045393514 175376293 /nfs/dbraw/zinc/37/62/93/175376293.db2.gz TUZQFHLUIWSARJ-WBVHZDCISA-N 1 1 298.471 2.820 10 0 CFAEMO COC(=O)[C@](C)(N)CCCC[N@H+](C)C1CCCCCC1 ZINC000045419127 175377372 /nfs/dbraw/zinc/37/73/72/175377372.db2.gz LPIGTNWVZGKROD-MRXNPFEDSA-N 1 1 284.444 2.702 10 0 CFAEMO COC(=O)[C@](C)(N)CCCC[N@@H+](C)C1CCCCCC1 ZINC000045419127 175377374 /nfs/dbraw/zinc/37/73/74/175377374.db2.gz LPIGTNWVZGKROD-MRXNPFEDSA-N 1 1 284.444 2.702 10 0 CFAEMO CC[NH2+][C@](C)(CCCC[N@@H+](C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000045420974 175380253 /nfs/dbraw/zinc/38/02/53/175380253.db2.gz UXPCFKJVOUJACD-XJKSGUPXSA-N 1 1 286.460 2.976 10 0 CFAEMO CC[N@H+]1CCC[C@@H](Nc2nnc(Cl)c(C)c2C)C1 ZINC000071171592 176051916 /nfs/dbraw/zinc/05/19/16/176051916.db2.gz VRJLFHLOIDNAMJ-LLVKDONJSA-N 1 1 268.792 2.643 10 0 CFAEMO Cn1cc[nH+]c1Cn1c(=S)[nH]c2ccc(F)c(F)c21 ZINC000071274543 176106289 /nfs/dbraw/zinc/10/62/89/176106289.db2.gz LITMBHKUBDICNS-UHFFFAOYSA-N 1 1 280.303 2.759 10 0 CFAEMO CCc1csc(NCC[N@@H+](C)C2CCCC2)n1 ZINC000071377532 176143078 /nfs/dbraw/zinc/14/30/78/176143078.db2.gz ANOJPADIOYAEIQ-UHFFFAOYSA-N 1 1 253.415 2.992 10 0 CFAEMO CC(C)COc1ccc([C@@H](CN)[NH+]2CCCC2)cc1 ZINC000071594619 176217683 /nfs/dbraw/zinc/21/76/83/176217683.db2.gz ACPJQCLAMUKITN-MRXNPFEDSA-N 1 1 262.397 2.817 10 0 CFAEMO C[C@@H]1CCC[N@H+]1CCCCCCC[NH+]1CCC[C@H]1C(=O)[O-] ZINC000096032059 287368169 /nfs/dbraw/zinc/36/81/69/287368169.db2.gz PDHKULRSJGTURA-CVEARBPZSA-N 1 1 296.455 2.970 10 0 CFAEMO C[C@@H]1CCC[NH+]1CCCCCCC[N@@H+]1CCC[C@H]1C(=O)[O-] ZINC000096032059 287368170 /nfs/dbraw/zinc/36/81/70/287368170.db2.gz PDHKULRSJGTURA-CVEARBPZSA-N 1 1 296.455 2.970 10 0 CFAEMO C[C@@H]1CCC[NH+]1CCCCCCC[N@H+]1CCC[C@H]1C(=O)[O-] ZINC000096032059 287368172 /nfs/dbraw/zinc/36/81/72/287368172.db2.gz PDHKULRSJGTURA-CVEARBPZSA-N 1 1 296.455 2.970 10 0 CFAEMO CCC[C@H](C(=O)N[C@H]1CCC[N@@H+](CC)C1)C(C)C ZINC000179591969 260056842 /nfs/dbraw/zinc/05/68/42/260056842.db2.gz PNXQWZIMMGVLKE-KBPBESRZSA-N 1 1 254.418 2.659 10 0 CFAEMO CC[NH+](CC)CCNCc1cc(Br)cs1 ZINC000020305861 260118089 /nfs/dbraw/zinc/11/80/89/260118089.db2.gz POEJFAYOSIDUSL-UHFFFAOYSA-N 1 1 291.258 2.942 10 0 CFAEMO O[C@@H]1CCCC[C@H]1[C@@H]1CCC[N@H+]1CCn1cc(Cl)cn1 ZINC000312879952 260216527 /nfs/dbraw/zinc/21/65/27/260216527.db2.gz HIILUNASHVCFDJ-SOUVJXGZSA-N 1 1 297.830 2.552 10 0 CFAEMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+]1C[C@@H]1CCC=CO1 ZINC000194024532 270242259 /nfs/dbraw/zinc/24/22/59/270242259.db2.gz UCTWZSFCOVOHLU-KGLIPLIRSA-N 1 1 296.411 2.668 10 0 CFAEMO CCCCS[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000194665513 270246210 /nfs/dbraw/zinc/24/62/10/270246210.db2.gz OKBGSJDWBAIFNX-STQMWFEESA-N 1 1 272.458 2.509 10 0 CFAEMO CCCCc1noc([C@@H](C)N2CC[N@H+]3CCCC[C@H]3C2)n1 ZINC000248337770 270271418 /nfs/dbraw/zinc/27/14/18/270271418.db2.gz HPFGMPBJXADZHC-KGLIPLIRSA-N 1 1 292.427 2.643 10 0 CFAEMO C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1cccc(F)c1Cl ZINC000395093673 270310652 /nfs/dbraw/zinc/31/06/52/270310652.db2.gz IYPNTBDOYAXZQT-CABZTGNLSA-N 1 1 257.736 2.824 10 0 CFAEMO C[C@H]1[C@@H](O)CCC[N@H+]1Cc1cccc(F)c1Cl ZINC000395093673 270310654 /nfs/dbraw/zinc/31/06/54/270310654.db2.gz IYPNTBDOYAXZQT-CABZTGNLSA-N 1 1 257.736 2.824 10 0 CFAEMO Cc1cc(C)cc(OCCC[N@@H+]2CCC[C@H](O)[C@@H]2C)c1 ZINC000395105351 270311181 /nfs/dbraw/zinc/31/11/81/270311181.db2.gz OWANICIIPKOXJK-RDJZCZTQSA-N 1 1 277.408 2.918 10 0 CFAEMO O[C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3CCCCC3(F)F)C[C@@H]2C1 ZINC000398822031 270324158 /nfs/dbraw/zinc/32/41/58/270324158.db2.gz ZDYLTWJTRWHUSI-ZOBORPQBSA-N 1 1 273.367 2.905 10 0 CFAEMO C[C@H]1CC[C@@H](O)C[N@H+]1Cc1ccc2ncccc2c1 ZINC000399164439 270326753 /nfs/dbraw/zinc/32/67/53/270326753.db2.gz DOQFWNBQBKVFJE-SWLSCSKDSA-N 1 1 256.349 2.580 10 0 CFAEMO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1coc(-c2cccs2)n1 ZINC000399263328 270328003 /nfs/dbraw/zinc/32/80/03/270328003.db2.gz UUCJATIPWUDAHN-CMPLNLGQSA-N 1 1 278.377 2.748 10 0 CFAEMO C[C@H]1CC[C@@H](O)C[N@H+]1Cc1coc(-c2cccs2)n1 ZINC000399263328 270328005 /nfs/dbraw/zinc/32/80/05/270328005.db2.gz UUCJATIPWUDAHN-CMPLNLGQSA-N 1 1 278.377 2.748 10 0 CFAEMO Cc1ccc(C)c(OCCC[N@@H+]2C[C@@H](O)CC[C@H]2C)c1 ZINC000399401714 270328567 /nfs/dbraw/zinc/32/85/67/270328567.db2.gz GZDULAXPEHYOOL-CVEARBPZSA-N 1 1 277.408 2.918 10 0 CFAEMO C[C@H]1CC[C@H](O)C[N@H+]1CCSc1ccccc1 ZINC000399506494 270328952 /nfs/dbraw/zinc/32/89/52/270328952.db2.gz YBPXRBFEZNYRQX-STQMWFEESA-N 1 1 251.395 2.624 10 0 CFAEMO COc1ccc(C[N@H+]2CCc3c(N)cccc3C2)cc1 ZINC000038032570 274109214 /nfs/dbraw/zinc/10/92/14/274109214.db2.gz VIMALYLYGSCAMC-UHFFFAOYSA-N 1 1 268.360 2.836 10 0 CFAEMO c1cn2c([nH+]1)[C@@H](CNc1cnc3c(n1)CCCC3)CCC2 ZINC000333920381 275073110 /nfs/dbraw/zinc/07/31/10/275073110.db2.gz PVVOINLSAMSRMV-GFCCVEGCSA-N 1 1 283.379 2.541 10 0 CFAEMO C/C(=C/c1ccccc1)C[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000122254328 275398595 /nfs/dbraw/zinc/39/85/95/275398595.db2.gz SOVGNKNFTNEIIB-XOQYZJNISA-N 1 1 297.402 2.687 10 0 CFAEMO C/C(=C/c1ccccc1)C[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000122254328 275398596 /nfs/dbraw/zinc/39/85/96/275398596.db2.gz SOVGNKNFTNEIIB-XOQYZJNISA-N 1 1 297.402 2.687 10 0 CFAEMO CC[N@H+](C)CCNCc1ccccc1C(F)(F)F ZINC000049938202 276071302 /nfs/dbraw/zinc/07/13/02/276071302.db2.gz XBJRJKGFEPWLFV-UHFFFAOYSA-N 1 1 260.303 2.747 10 0 CFAEMO CC[N@@H+](C)CCNCc1ccccc1C(F)(F)F ZINC000049938202 276071303 /nfs/dbraw/zinc/07/13/03/276071303.db2.gz XBJRJKGFEPWLFV-UHFFFAOYSA-N 1 1 260.303 2.747 10 0 CFAEMO CC[N@@H+](C)[C@@H]1CCN(c2nc(-c3ccccc3)ns2)C1 ZINC000302801546 276077345 /nfs/dbraw/zinc/07/73/45/276077345.db2.gz CPHRFEKVMMAIBZ-CYBMUJFWSA-N 1 1 288.420 2.736 10 0 CFAEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1cnn(-c2ccccc2)c1 ZINC000106378382 276183456 /nfs/dbraw/zinc/18/34/56/276183456.db2.gz DDDSFEMMROSGEW-SFHVURJKSA-N 1 1 298.434 2.788 10 0 CFAEMO CC[N@@H+](CC(=O)[O-])C1CC([NH2+][C@H](C)[C@H]2CCCC[C@H]2C)C1 ZINC000263536941 276315177 /nfs/dbraw/zinc/31/51/77/276315177.db2.gz ZVMNQLJKNBDUNQ-KBJXHQRYSA-N 1 1 296.455 2.728 10 0 CFAEMO CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1c1cccs1 ZINC000095752348 277189045 /nfs/dbraw/zinc/18/90/45/277189045.db2.gz LNBLYEPFGUKMRT-SNVBAGLBSA-N 1 1 268.382 2.630 10 0 CFAEMO CNC(=O)CC[N@@H+](C)CC[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000246195325 277225732 /nfs/dbraw/zinc/22/57/32/277225732.db2.gz IJBZWRNIBBBNIR-WDNDVIMCSA-N 1 1 254.418 2.517 10 0 CFAEMO CC(C)C[N@@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000106160574 277374416 /nfs/dbraw/zinc/37/44/16/277374416.db2.gz UOMAJBFSCNCFAL-CQSZACIVSA-N 1 1 282.453 2.709 10 0 CFAEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H](C)[C@@H]1C ZINC000124407344 277393279 /nfs/dbraw/zinc/39/32/79/277393279.db2.gz WYOAXPMBACJTPO-QLFBSQMISA-N 1 1 281.444 2.547 10 0 CFAEMO CC(C)c1nnc(C[N@H+]2C[C@H](C)[C@@H]3CCCC[C@H]32)n1C ZINC000248413274 278100157 /nfs/dbraw/zinc/10/01/57/278100157.db2.gz FYGLUGFLMJNWAN-MELADBBJSA-N 1 1 276.428 2.949 10 0 CFAEMO CC1(C)C[C@H](O)CC[N@@H+](C[C@@H]2CCCC2(F)F)C1 ZINC000336236137 278390840 /nfs/dbraw/zinc/39/08/40/278390840.db2.gz RMMWOMGCPLKIIG-NWDGAFQWSA-N 1 1 261.356 2.905 10 0 CFAEMO CC(C)(C)OC(=O)N1CC[NH2+]C[C@H]1c1ccc(F)cc1F ZINC000095752168 278400884 /nfs/dbraw/zinc/40/08/84/278400884.db2.gz PBGULVHOIDOEJY-ZDUSSCGKSA-N 1 1 298.333 2.846 10 0 CFAEMO CC[C@H](N[C@H]1CC[NH2+]C[C@H]1C)c1ccccc1OC ZINC000261586818 288090425 /nfs/dbraw/zinc/09/04/25/288090425.db2.gz JDOJWCLYLUCFHS-SNPRPXQTSA-N 1 1 262.397 2.734 10 0 CFAEMO C[C@@H]1NC(=O)CC[C@@H]1Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000281657031 279027214 /nfs/dbraw/zinc/02/72/14/279027214.db2.gz OENXBTKXNWKCIX-CABZTGNLSA-N 1 1 289.766 2.967 10 0 CFAEMO C[C@H](CC[N@H+]1CCO[C@H](Cn2cccn2)C1)c1ccccc1 ZINC000193913397 279264383 /nfs/dbraw/zinc/26/43/83/279264383.db2.gz IRZZYRWMDIHWCN-AEFFLSMTSA-N 1 1 299.418 2.778 10 0 CFAEMO CC[N@H+]1CCC[C@H]1CN(C)c1ncnc2ccccc21 ZINC000267052823 279328908 /nfs/dbraw/zinc/32/89/08/279328908.db2.gz OHECNLIDHJSEAY-ZDUSSCGKSA-N 1 1 270.380 2.550 10 0 CFAEMO O=C([C@@H]1CC[C@@H]2CCCC[C@H]2C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000178886617 280098393 /nfs/dbraw/zinc/09/83/93/280098393.db2.gz CMDOSCRJPLNKHW-MWDXBVQZSA-N 1 1 290.451 2.900 10 0 CFAEMO CC[C@@H](NC[C@H]1CCC[N@H+]1CC(C)C)c1cnn(C)c1 ZINC000090773362 280190415 /nfs/dbraw/zinc/19/04/15/280190415.db2.gz DJGHDVJMSQUTEE-HZPDHXFCSA-N 1 1 278.444 2.581 10 0 CFAEMO CC[C@@H]([NH2+]C[C@H]1CCCN1CC(C)C)c1cnn(C)c1 ZINC000090773362 280190416 /nfs/dbraw/zinc/19/04/16/280190416.db2.gz DJGHDVJMSQUTEE-HZPDHXFCSA-N 1 1 278.444 2.581 10 0 CFAEMO O=C(c1cccc(F)c1)N1CC[NH2+]Cc2ccccc21 ZINC000062818527 280208356 /nfs/dbraw/zinc/20/83/56/280208356.db2.gz LETXAAOWESFHOI-UHFFFAOYSA-N 1 1 270.307 2.576 10 0 CFAEMO O=C1C[C@]2(CC[N@H+](C3CCC3)C2)Oc2ccccc21 ZINC000334636232 280274903 /nfs/dbraw/zinc/27/49/03/280274903.db2.gz CKFYQCNOWPAVLU-INIZCTEOSA-N 1 1 257.333 2.649 10 0 CFAEMO Cc1cc(-n2cnnc2)ccc1[NH+]1CCC(C)CC1 ZINC000226276051 280291560 /nfs/dbraw/zinc/29/15/60/280291560.db2.gz YXPJDBXSPZXDCQ-UHFFFAOYSA-N 1 1 256.353 2.812 10 0 CFAEMO CSc1ccc(OCC[NH+]2[C@H](C)COC[C@H]2C)cc1 ZINC000075766318 280514883 /nfs/dbraw/zinc/51/48/83/280514883.db2.gz QULPASZQMDMZCU-CHWSQXEVSA-N 1 1 281.421 2.897 10 0 CFAEMO CCCC(O)(CCC)CC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246997816 281002719 /nfs/dbraw/zinc/00/27/19/281002719.db2.gz WSGRKMLBJSKGGD-HUUCEWRRSA-N 1 1 298.471 2.553 10 0 CFAEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N[C@H]2CCCC[C@H]2C)C1 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185139974 /nfs/dbraw/zinc/13/99/74/185139974.db2.gz RVKLADLAEWNDNI-SJORKVTESA-N 1 1 258.409 2.898 10 0 CFAEMO CC(C)[C@H]1C[NH2+]C[C@]12CCN(Cc1ccccc1)C2 ZINC000096950612 185140132 /nfs/dbraw/zinc/14/01/32/185140132.db2.gz QWGFDMSULJILOD-SJORKVTESA-N 1 1 258.409 2.754 10 0 CFAEMO CCC[N@@H+](C[C@@H](O)COCc1ccccc1)C(C)C ZINC000070380060 346909764 /nfs/dbraw/zinc/90/97/64/346909764.db2.gz ZOPPHNCFJSNGNY-MRXNPFEDSA-N 1 1 265.397 2.685 10 0 CFAEMO Cn1c(C[NH2+][C@H](c2ccccc2)C2CC2)nnc1C1CC1 ZINC000128011898 187345934 /nfs/dbraw/zinc/34/59/34/187345934.db2.gz OVUXEOPHMYUHRL-MRXNPFEDSA-N 1 1 282.391 2.933 10 0 CFAEMO Cc1cccc(-c2n[nH]cc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000126960128 187273359 /nfs/dbraw/zinc/27/33/59/187273359.db2.gz JCLPVSPRKMDYLS-ZIAGYGMSSA-N 1 1 285.391 2.994 10 0 CFAEMO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1cc(Cl)ccc1F ZINC000295084447 199337126 /nfs/dbraw/zinc/33/71/26/199337126.db2.gz SLKSVASJNAVUTR-TVQRCGJNSA-N 1 1 257.736 2.824 10 0 CFAEMO C[C@H]1[C@H](O)CCC[N@H+]1Cc1cc(Cl)ccc1F ZINC000295084447 199337128 /nfs/dbraw/zinc/33/71/28/199337128.db2.gz SLKSVASJNAVUTR-TVQRCGJNSA-N 1 1 257.736 2.824 10 0 CFAEMO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1csc(-c2ccco2)n1 ZINC000295100852 199345190 /nfs/dbraw/zinc/34/51/90/199345190.db2.gz UXHPRPVDHOZGEY-CMPLNLGQSA-N 1 1 278.377 2.748 10 0 CFAEMO C[C@H]1[C@H](O)CCC[N@H+]1Cc1csc(-c2ccco2)n1 ZINC000295100852 199345192 /nfs/dbraw/zinc/34/51/92/199345192.db2.gz UXHPRPVDHOZGEY-CMPLNLGQSA-N 1 1 278.377 2.748 10 0 CFAEMO Cc1cc(NC(=O)CC[N@H+]2CCC[C@@H]2c2ccco2)no1 ZINC000116290107 232194392 /nfs/dbraw/zinc/19/43/92/232194392.db2.gz QDTQZEWQBGPPNJ-GFCCVEGCSA-N 1 1 289.335 2.742 10 0 CFAEMO C[C@@H]([NH2+]C[C@H](O)CN1CCCCC1)c1cccc(Cl)c1 ZINC000151299281 232214704 /nfs/dbraw/zinc/21/47/04/232214704.db2.gz PDMJZZUBSAAYEP-CJNGLKHVSA-N 1 1 296.842 2.837 10 0 CFAEMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cncnc2)C12CCCC2 ZINC000130119016 539496244 /nfs/dbraw/zinc/49/62/44/539496244.db2.gz KKOGDJMDIMTCGV-LSDHHAIUSA-N 1 1 275.396 2.646 10 0 CFAEMO 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CFAEMO CCc1[nH+]ccn1[C@H]1CCCN(c2nc(C)cc(C)n2)C1 ZINC000122953812 136538025 /nfs/dbraw/zinc/53/80/25/136538025.db2.gz GYKWMLNJKPSYSD-AWEZNQCLSA-N 1 1 285.395 2.694 10 0 CFAEMO c1cc2c(cc1C[N@@H+]1CCO[C@@H]3CCCC[C@H]31)OCCO2 ZINC000063995041 346714229 /nfs/dbraw/zinc/71/42/29/346714229.db2.gz QQNFMUGDWVJBRK-HUUCEWRRSA-N 1 1 289.375 2.601 10 0 CFAEMO c1cc2c(cc1C[N@H+]1CCO[C@@H]3CCCC[C@H]31)OCCO2 ZINC000063995041 346714232 /nfs/dbraw/zinc/71/42/32/346714232.db2.gz QQNFMUGDWVJBRK-HUUCEWRRSA-N 1 1 289.375 2.601 10 0 CFAEMO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+](C)CC1CC1 ZINC000077194381 347172519 /nfs/dbraw/zinc/17/25/19/347172519.db2.gz UTBMOTPGEXONBB-QWHCGFSZSA-N 1 1 260.381 2.594 10 0 CFAEMO Cn1cc([C@H]2CC[N@@H+](CC3=Cc4ccccc4OC3)C2)cn1 ZINC000128457842 187372221 /nfs/dbraw/zinc/37/22/21/187372221.db2.gz DYTCDOPBYBHWDY-INIZCTEOSA-N 1 1 295.386 2.685 10 0 CFAEMO Cc1ccc([C@H](C)N[C@@H](C)[C@@H]2CC[NH2+]C2)cc1F ZINC000400354896 232676411 /nfs/dbraw/zinc/67/64/11/232676411.db2.gz 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/nfs/dbraw/zinc/99/74/37/347997437.db2.gz VRDQIGSCDUDXCP-AWEZNQCLSA-N 1 1 286.423 2.749 10 0 CFAEMO COc1ccccc1C[C@H](C)[NH2+][C@@H]1CCCN(C)CC1 ZINC000086818723 179347563 /nfs/dbraw/zinc/34/75/63/179347563.db2.gz NVKGHPNIJMKZNI-GOEBONIOSA-N 1 1 276.424 2.700 10 0 CFAEMO C[C@@H](Cc1c(F)cccc1F)[NH2+][C@H]1CCCN(C)CC1 ZINC000086818697 179347672 /nfs/dbraw/zinc/34/76/72/179347672.db2.gz ZERAVGKIJQXAQZ-STQMWFEESA-N 1 1 282.378 2.970 10 0 CFAEMO Cc1nc(C)c([C@@H](C)[NH2+][C@H]2CCCN(C)CC2)s1 ZINC000086818861 179348107 /nfs/dbraw/zinc/34/81/07/179348107.db2.gz ZPWQWTUYAFVUBQ-YPMHNXCESA-N 1 1 267.442 2.895 10 0 CFAEMO Cc1nc(C)c([C@@H](C)N[C@H]2CCC[N@H+](C)CC2)s1 ZINC000086818861 179348108 /nfs/dbraw/zinc/34/81/08/179348108.db2.gz ZPWQWTUYAFVUBQ-YPMHNXCESA-N 1 1 267.442 2.895 10 0 CFAEMO Cc1nc(C)c([C@@H](C)N[C@H]2CCC[N@@H+](C)CC2)s1 ZINC000086818861 179348110 /nfs/dbraw/zinc/34/81/10/179348110.db2.gz ZPWQWTUYAFVUBQ-YPMHNXCESA-N 1 1 267.442 2.895 10 0 CFAEMO Cc1ccc(OC[C@H](C)[NH2+][C@H]2CCCN(C)CC2)cc1 ZINC000086818856 179348728 /nfs/dbraw/zinc/34/87/28/179348728.db2.gz PVHSENGPMZWTFL-HOTGVXAUSA-N 1 1 276.424 2.836 10 0 CFAEMO Cc1[nH+]ccn1-c1cc(C)c(Br)cn1 ZINC000164047158 348036331 /nfs/dbraw/zinc/03/63/31/348036331.db2.gz BIMGWLWEHQANPU-UHFFFAOYSA-N 1 1 252.115 2.647 10 0 CFAEMO C[N@H+]1CCC[C@@](O)(Cc2c(F)cccc2Cl)CC1 ZINC000086833936 179349518 /nfs/dbraw/zinc/34/95/18/179349518.db2.gz PQTHJCIACJTTKX-AWEZNQCLSA-N 1 1 271.763 2.868 10 0 CFAEMO O=C(NCCC1=CCCCC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000171573865 348077929 /nfs/dbraw/zinc/07/79/29/348077929.db2.gz VUIDIUHSKYADTQ-INIZCTEOSA-N 1 1 291.439 2.757 10 0 CFAEMO CN1CCC[C@@H]([NH2+]CCCN2CCc3ccccc32)CC1 ZINC000086817438 179345039 /nfs/dbraw/zinc/34/50/39/179345039.db2.gz BCJRZHHZWJHMFI-QGZVFWFLSA-N 1 1 287.451 2.513 10 0 CFAEMO CC[C@@H](C)[N@H+](Cc1ccc(C)o1)C[C@@H](O)COC(C)C ZINC000169677065 348051710 /nfs/dbraw/zinc/05/17/10/348051710.db2.gz FWGKTTSGNQSJPQ-UKRRQHHQSA-N 1 1 283.412 2.974 10 0 CFAEMO C[N@H+]1CCC[C@@H](NCc2nc3ccccc3s2)CC1 ZINC000086817322 179345443 /nfs/dbraw/zinc/34/54/43/179345443.db2.gz QATCMDNNMJAJOB-GFCCVEGCSA-N 1 1 275.421 2.870 10 0 CFAEMO CC(C)NC(=O)c1cccc(N[C@@H]2CCC[N@@H+](C)CC2)c1 ZINC000086817921 179345883 /nfs/dbraw/zinc/34/58/83/179345883.db2.gz WUFGBGCCDHLXHL-OAHLLOKOSA-N 1 1 289.423 2.721 10 0 CFAEMO CCC[N@H+]1CCC[C@H](N[C@@H]2COc3ccccc32)CC1 ZINC000086845363 179354292 /nfs/dbraw/zinc/35/42/92/179354292.db2.gz AZJRRPJRPVDISC-GOEBONIOSA-N 1 1 274.408 2.974 10 0 CFAEMO CC[N@H+]1CCC[C@@](O)(Cc2ccc3c(c2)CCC3)CC1 ZINC000086852229 179359799 /nfs/dbraw/zinc/35/97/99/179359799.db2.gz RPIWSMDLFCBPRH-SFHVURJKSA-N 1 1 273.420 2.955 10 0 CFAEMO CC[N@H+]1CCC[C@@](CO)(Nc2cccc(Cl)c2)CC1 ZINC000086868011 179360329 /nfs/dbraw/zinc/36/03/29/179360329.db2.gz DVNMOFISHLHBBK-OAHLLOKOSA-N 1 1 282.815 2.989 10 0 CFAEMO CCOC(=O)C[C@@]1([NH+](CC)CC)CCCN(C(C)C)CC1 ZINC000086868542 179360764 /nfs/dbraw/zinc/36/07/64/179360764.db2.gz VIXUTIJMTLAAFX-QGZVFWFLSA-N 1 1 298.471 2.915 10 0 CFAEMO Brc1csc(N[C@@H]2CC[N@H+]3CCC[C@@H]23)n1 ZINC000221724066 348171977 /nfs/dbraw/zinc/17/19/77/348171977.db2.gz XQOJNLGDRNOECR-SFYZADRCSA-N 1 1 288.214 2.554 10 0 CFAEMO CCC[N@H+]1CCC[C@@](N)(c2nc(C)c(C)s2)CC1 ZINC000086851314 179359107 /nfs/dbraw/zinc/35/91/07/179359107.db2.gz FAYQVTSBWJOMAO-AWEZNQCLSA-N 1 1 267.442 2.810 10 0 CFAEMO CCC[N@H+]1CCC[C@](O)(c2ccc3c(c2)OCCO3)CC1 ZINC000086852659 179359186 /nfs/dbraw/zinc/35/91/86/179359186.db2.gz ZBNCDBXXQKWLLE-QGZVFWFLSA-N 1 1 291.391 2.541 10 0 CFAEMO CCC[N@H+]1CCC[C@](O)(c2ccc(OC)c(OC)c2)CC1 ZINC000086852664 179359382 /nfs/dbraw/zinc/35/93/82/179359382.db2.gz HVXZQCANIJKDCV-QGZVFWFLSA-N 1 1 293.407 2.787 10 0 CFAEMO C[C@@H]1OCC[C@H]1CNc1cc[nH+]cc1Br ZINC000235442173 348227244 /nfs/dbraw/zinc/22/72/44/348227244.db2.gz XFDGRVYVGMDPLT-IUCAKERBSA-N 1 1 271.158 2.681 10 0 CFAEMO COc1ccc(C[N@H+]2CCC[C@@H]2CCCO)c(F)c1 ZINC000228634269 348196711 /nfs/dbraw/zinc/19/67/11/348196711.db2.gz LXOAWGICABFCRH-CYBMUJFWSA-N 1 1 267.344 2.571 10 0 CFAEMO CC[C@H]1C[N@H+]2CCCC[C@H]2CN1CCCSC ZINC000251588136 348292713 /nfs/dbraw/zinc/29/27/13/348292713.db2.gz COPRCLNEVIDPSL-KBPBESRZSA-N 1 1 256.459 2.688 10 0 CFAEMO CC[C@H]1CN2CCCC[C@H]2C[N@@H+]1CCCSC ZINC000251588136 348292714 /nfs/dbraw/zinc/29/27/14/348292714.db2.gz COPRCLNEVIDPSL-KBPBESRZSA-N 1 1 256.459 2.688 10 0 CFAEMO CC[C@H]1CN2CCCC[C@H]2C[N@H+]1CCCSC ZINC000251588136 348292715 /nfs/dbraw/zinc/29/27/15/348292715.db2.gz COPRCLNEVIDPSL-KBPBESRZSA-N 1 1 256.459 2.688 10 0 CFAEMO C[C@H](c1c(F)cccc1F)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000178629349 290214225 /nfs/dbraw/zinc/21/42/25/290214225.db2.gz RSNSNGVTMJZZCD-VXGBXAGGSA-N 1 1 266.335 2.806 10 0 CFAEMO C[C@@H]1CS[C@H](c2cnn(Cc3ccccc3)c2)[NH2+]1 ZINC000306771632 348392352 /nfs/dbraw/zinc/39/23/52/348392352.db2.gz RNBAEWDPOBJYEO-BXUZGUMPSA-N 1 1 259.378 2.655 10 0 CFAEMO C[C@@H]1CSC(N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)=N1 ZINC000307163937 348396739 /nfs/dbraw/zinc/39/67/39/348396739.db2.gz JCXDEZZGZOGIMD-VNHYZAJKSA-N 1 1 289.448 2.730 10 0 CFAEMO C[C@@H]1CSC(N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)=N1 ZINC000307163937 348396743 /nfs/dbraw/zinc/39/67/43/348396743.db2.gz JCXDEZZGZOGIMD-VNHYZAJKSA-N 1 1 289.448 2.730 10 0 CFAEMO Cc1cc(C)cc(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000313888554 348423997 /nfs/dbraw/zinc/42/39/97/348423997.db2.gz PJPOTNXKTVGNFM-HUUCEWRRSA-N 1 1 263.381 2.791 10 0 CFAEMO CC/C=C(/C)c1nc([C@@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1 ZINC000350333088 348475565 /nfs/dbraw/zinc/47/55/65/348475565.db2.gz BKAZMCVDLCXYKH-QLWBUIJQSA-N 1 1 277.368 2.809 10 0 CFAEMO CC/C=C(/C)c1nc([C@@H]2C[N@H+]3CCC[C@@]3(C)CO2)no1 ZINC000350333088 348475570 /nfs/dbraw/zinc/47/55/70/348475570.db2.gz BKAZMCVDLCXYKH-QLWBUIJQSA-N 1 1 277.368 2.809 10 0 CFAEMO CN(C(=O)[C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390812975 348542371 /nfs/dbraw/zinc/54/23/71/348542371.db2.gz YRGWTTIDONJGKL-MHORFTMASA-N 1 1 298.430 2.765 10 0 CFAEMO [NH3+][C@@H](c1ccoc1)c1nscc1Br ZINC000404800104 348594963 /nfs/dbraw/zinc/59/49/63/348594963.db2.gz VBBAIBFUNWJFFM-ZETCQYMHSA-N 1 1 259.128 2.547 10 0 CFAEMO C[C@@H]1C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CC[N@H+]3C)CC1=O ZINC000584606998 348687979 /nfs/dbraw/zinc/68/79/79/348687979.db2.gz GJEVWFOGJRBNKF-YJXLDUANSA-N 1 1 285.387 2.505 10 0 CFAEMO CC[NH2+]CC1=N[C@H]([C@@H](CC)c2ccccc2)N(CC)O1 ZINC000584614114 348690002 /nfs/dbraw/zinc/69/00/02/348690002.db2.gz QHVKMGJLPUQJDJ-HOCLYGCPSA-N 1 1 275.396 2.781 10 0 CFAEMO c1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@@]3(COCN3)C2)cc1 ZINC000584631892 348696072 /nfs/dbraw/zinc/69/60/72/348696072.db2.gz ZNQPIOOYYSOXJK-MOPGFXCFSA-N 1 1 294.398 2.602 10 0 CFAEMO Cc1cccc(C[NH2+]Cc2[nH]nc3ccccc32)n1 ZINC000589642489 348846875 /nfs/dbraw/zinc/84/68/75/348846875.db2.gz JNXSJFOJGWYHBR-UHFFFAOYSA-N 1 1 252.321 2.556 10 0 CFAEMO CC(C)[N@@H+](C)CCNc1ccc(N)cc1C(F)F ZINC000104229287 185936567 /nfs/dbraw/zinc/93/65/67/185936567.db2.gz MGWKJPJVVYEHMH-UHFFFAOYSA-N 1 1 257.328 2.959 10 0 CFAEMO Oc1cccc2ccc(C[NH2+]Cc3ccccn3)nc12 ZINC000090715136 180029415 /nfs/dbraw/zinc/02/94/15/180029415.db2.gz PRFIKOHOFZXZFC-UHFFFAOYSA-N 1 1 265.316 2.625 10 0 CFAEMO Cc1nc2c([nH]1)CC[C@H](C(=O)NCCCc1ccccc1)C2 ZINC000220587283 539752981 /nfs/dbraw/zinc/75/29/81/539752981.db2.gz SBHZJLWQLDGSIY-HNNXBMFYSA-N 1 1 297.402 2.572 10 0 CFAEMO CCn1cccc1CNCCC[N@H+]1CCCC[C@H]1C ZINC000091022400 180088874 /nfs/dbraw/zinc/08/88/74/180088874.db2.gz FYTPZNJRUVBRMV-OAHLLOKOSA-N 1 1 263.429 2.862 10 0 CFAEMO C[N@H+]1CCC[C@H](CCc2ncnn2CCc2ccccc2)C1 ZINC000091915263 180285973 /nfs/dbraw/zinc/28/59/73/180285973.db2.gz UEXODQYNTQXTFY-QGZVFWFLSA-N 1 1 298.434 2.795 10 0 CFAEMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000105884784 186083347 /nfs/dbraw/zinc/08/33/47/186083347.db2.gz YLTVWETYWBUPPA-QGZVFWFLSA-N 1 1 284.407 2.807 10 0 CFAEMO Cc1cnn([C@@H]2CCC[N@H+](Cc3cnc(C)s3)C2)c1 ZINC000105901581 186086993 /nfs/dbraw/zinc/08/69/93/186086993.db2.gz DOZYHQKCAFADMD-CYBMUJFWSA-N 1 1 276.409 2.794 10 0 CFAEMO Cc1cnn([C@H]2CCC[N@H+](Cc3cnc(C)s3)C2)c1 ZINC000105901583 186087831 /nfs/dbraw/zinc/08/78/31/186087831.db2.gz DOZYHQKCAFADMD-ZDUSSCGKSA-N 1 1 276.409 2.794 10 0 CFAEMO Cc1cnn([C@H]2CCC[N@@H+](CCC(=O)OC(C)(C)C)C2)c1 ZINC000105923271 186090599 /nfs/dbraw/zinc/09/05/99/186090599.db2.gz ZXGLIIACXDRAEQ-AWEZNQCLSA-N 1 1 293.411 2.560 10 0 CFAEMO Cc1cc(C)cc(C[N@H+]2CCC[C@@H](n3cncn3)C2)c1 ZINC000105899349 186086401 /nfs/dbraw/zinc/08/64/01/186086401.db2.gz OBBFONHZLFUTOG-MRXNPFEDSA-N 1 1 270.380 2.732 10 0 CFAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H](C)CSC)C1 ZINC000108995220 186240371 /nfs/dbraw/zinc/24/03/71/186240371.db2.gz FEKLKQYEGBUERR-QWHCGFSZSA-N 1 1 295.452 2.608 10 0 CFAEMO CC(C)[N@@H+](C)CCNC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109097135 186243524 /nfs/dbraw/zinc/24/35/24/186243524.db2.gz AIRPIXDCMRNLDW-CHWSQXEVSA-N 1 1 296.361 2.525 10 0 CFAEMO CC(C)[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000110046671 186283436 /nfs/dbraw/zinc/28/34/36/186283436.db2.gz CXGJRCIEJDKXLD-UONOGXRCSA-N 1 1 274.408 2.594 10 0 CFAEMO CC(C)[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000110046671 186283438 /nfs/dbraw/zinc/28/34/38/186283438.db2.gz CXGJRCIEJDKXLD-UONOGXRCSA-N 1 1 274.408 2.594 10 0 CFAEMO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000111462694 186420198 /nfs/dbraw/zinc/42/01/98/186420198.db2.gz MOCYBODXWSGDFM-UONOGXRCSA-N 1 1 293.411 2.823 10 0 CFAEMO COC(=O)c1csc(C[N@H+]2C[C@H]3CCC[C@@H]32)c1 ZINC000602473738 350896250 /nfs/dbraw/zinc/89/62/50/350896250.db2.gz WPHSGXNRKIXKCH-SKDRFNHKSA-N 1 1 251.351 2.519 10 0 CFAEMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](C[C@H]3CC=CCC3)C2)n1 ZINC000121923994 187005418 /nfs/dbraw/zinc/00/54/18/187005418.db2.gz SLDFQNUAVFAQGL-IRXDYDNUSA-N 1 1 288.439 2.963 10 0 CFAEMO CC[C@](C)(O)C[N@@H+](C)Cc1cc(OC)c(OC)cc1C ZINC000123052040 187068542 /nfs/dbraw/zinc/06/85/42/187068542.db2.gz WYWHPVXOPKVSQM-INIZCTEOSA-N 1 1 281.396 2.605 10 0 CFAEMO CC(=O)Oc1ccc(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000123072158 187069540 /nfs/dbraw/zinc/06/95/40/187069540.db2.gz PBGOBYLVXVTZMB-QGZVFWFLSA-N 1 1 299.374 2.683 10 0 CFAEMO Cc1cnn(C[C@@H]2C[N@H+](Cc3cccc(C)c3C)CCO2)c1 ZINC000122411559 187031255 /nfs/dbraw/zinc/03/12/55/187031255.db2.gz GGRPLOSCOSYZSB-SFHVURJKSA-N 1 1 299.418 2.709 10 0 CFAEMO Cc1cnn(C[C@@H]2C[N@@H+](Cc3cccc(C)c3C)CCO2)c1 ZINC000122411559 187031256 /nfs/dbraw/zinc/03/12/56/187031256.db2.gz GGRPLOSCOSYZSB-SFHVURJKSA-N 1 1 299.418 2.709 10 0 CFAEMO Cc1cc(C)n(C[C@@H]2C[N@@H+](C[C@H]3CC=CCC3)CCO2)n1 ZINC000122540630 187037289 /nfs/dbraw/zinc/03/72/89/187037289.db2.gz JJQFDUSFDPHVKK-IRXDYDNUSA-N 1 1 289.423 2.557 10 0 CFAEMO C[C@H]1C[NH+](CCc2ccccc2Cl)C[C@H](C)O1 ZINC000122703064 187046522 /nfs/dbraw/zinc/04/65/22/187046522.db2.gz XTWAMQHRLOYZAM-RYUDHWBXSA-N 1 1 253.773 2.992 10 0 CFAEMO CCc1nccn1[C@@H]1CCC[N@@H+](Cc2cccnc2C)C1 ZINC000122942552 187061110 /nfs/dbraw/zinc/06/11/10/187061110.db2.gz CNHKDNGXJZFEKK-MRXNPFEDSA-N 1 1 284.407 2.986 10 0 CFAEMO CCc1nccn1[C@H]1CCC[N@@H+](Cc2cccn2C)C1 ZINC000122951072 187061595 /nfs/dbraw/zinc/06/15/95/187061595.db2.gz WDGQSRSPWAGUNI-HNNXBMFYSA-N 1 1 272.396 2.621 10 0 CFAEMO CC(=O)Oc1ccc(C[NH+]2CCC(c3ccn[nH]3)CC2)cc1 ZINC000123026920 187067054 /nfs/dbraw/zinc/06/70/54/187067054.db2.gz JIVLQKQQXAELFZ-UHFFFAOYSA-N 1 1 299.374 2.715 10 0 CFAEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1cc(F)cc(F)c1 ZINC000123365745 187087048 /nfs/dbraw/zinc/08/70/48/187087048.db2.gz AZMPTLUNWDEBLK-OAHLLOKOSA-N 1 1 268.351 2.881 10 0 CFAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cccn1C(C)C ZINC000123466467 187093863 /nfs/dbraw/zinc/09/38/63/187093863.db2.gz ABTDHKLGFDKJEE-AWEZNQCLSA-N 1 1 277.412 2.625 10 0 CFAEMO CC[C@](C)(O)C[N@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000123472965 187094003 /nfs/dbraw/zinc/09/40/03/187094003.db2.gz XKGBALPNBPSCRN-JSGCOSHPSA-N 1 1 268.426 2.792 10 0 CFAEMO CCOC(=O)c1ccc([C@H]2CCOCC[N@H+]2CC)cc1 ZINC000616598208 352378562 /nfs/dbraw/zinc/37/85/62/352378562.db2.gz IGSXBAUFSSORPO-OAHLLOKOSA-N 1 1 277.364 2.647 10 0 CFAEMO CC(C)(C)[N@H+]1CCCOC[C@H]1c1ccccc1CO ZINC000616597785 352378713 /nfs/dbraw/zinc/37/87/13/352378713.db2.gz SJQGPHVBUITFCU-HNNXBMFYSA-N 1 1 263.381 2.741 10 0 CFAEMO CC(=O)Nc1ccccc1[C@@H]1CCOCC[N@@H+]1C(C)C ZINC000616597306 352378915 /nfs/dbraw/zinc/37/89/15/352378915.db2.gz CQFPKFFNPCYDLI-INIZCTEOSA-N 1 1 276.380 2.817 10 0 CFAEMO CC(=O)Nc1ccccc1[C@H]1C[N@@H+](C(C)C)CCCO1 ZINC000616599339 352379383 /nfs/dbraw/zinc/37/93/83/352379383.db2.gz TVTYOOQHYZFQST-MRXNPFEDSA-N 1 1 276.380 2.817 10 0 CFAEMO OCC[N@H+]1CCCC[C@@H](c2ccc3ncccc3c2)C1 ZINC000616654868 352400295 /nfs/dbraw/zinc/40/02/95/352400295.db2.gz QNQBIDVKAMLWKA-MRXNPFEDSA-N 1 1 270.376 2.797 10 0 CFAEMO OCC[N@H+]1CCC[C@H](c2cccc3ccncc32)CC1 ZINC000616601740 352380746 /nfs/dbraw/zinc/38/07/46/352380746.db2.gz SZWRCPAPHALXAD-HNNXBMFYSA-N 1 1 270.376 2.797 10 0 CFAEMO CC(=O)Nc1ccccc1[C@@H]1C[N@@H+](C(C)(C)C)CCO1 ZINC000616601554 352380790 /nfs/dbraw/zinc/38/07/90/352380790.db2.gz DCBFFCLUJQYKGZ-HNNXBMFYSA-N 1 1 276.380 2.817 10 0 CFAEMO CC(=O)Nc1ccccc1[C@@H]1C[N@H+](C(C)(C)C)CCO1 ZINC000616601554 352380793 /nfs/dbraw/zinc/38/07/93/352380793.db2.gz DCBFFCLUJQYKGZ-HNNXBMFYSA-N 1 1 276.380 2.817 10 0 CFAEMO CC(C)(C)[N@@H+]1CCNC[C@H]1c1cncc2ccccc21 ZINC000616605506 352382273 /nfs/dbraw/zinc/38/22/73/352382273.db2.gz ZFPOATYBFKXRFW-INIZCTEOSA-N 1 1 269.392 2.980 10 0 CFAEMO CC(C)(C)[N@H+]1CCNC[C@H]1c1cncc2ccccc21 ZINC000616605506 352382276 /nfs/dbraw/zinc/38/22/76/352382276.db2.gz ZFPOATYBFKXRFW-INIZCTEOSA-N 1 1 269.392 2.980 10 0 CFAEMO c1nnoc1[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC000616611405 352383950 /nfs/dbraw/zinc/38/39/50/352383950.db2.gz PSNPYFSJNRHTQH-CQSZACIVSA-N 1 1 257.337 2.839 10 0 CFAEMO OCC[N@H+]1CCCC[C@@H]1c1cccc2ccncc21 ZINC000616614224 352384477 /nfs/dbraw/zinc/38/44/77/352384477.db2.gz LHLJMSXRHBLRRC-MRXNPFEDSA-N 1 1 256.349 2.754 10 0 CFAEMO OCC[N@H+]1CCCC[C@@H]1c1cc2ccccc2cn1 ZINC000616614197 352384591 /nfs/dbraw/zinc/38/45/91/352384591.db2.gz KPIZHMHWGLNZHC-MRXNPFEDSA-N 1 1 256.349 2.754 10 0 CFAEMO OCC[N@H+]1CCCCC[C@H]1c1cnnc2ccccc21 ZINC000616629399 352391904 /nfs/dbraw/zinc/39/19/04/352391904.db2.gz IHCDHVSKOOSBSN-INIZCTEOSA-N 1 1 271.364 2.539 10 0 CFAEMO Nc1ccccc1[C@@H]1COCC[N@@H+]1Cc1ccccc1 ZINC000616639034 352394868 /nfs/dbraw/zinc/39/48/68/352394868.db2.gz LLBDUGIPBOQGTI-KRWDZBQOSA-N 1 1 268.360 2.842 10 0 CFAEMO Nc1ccccc1[C@@H]1COCC[N@H+]1Cc1ccccc1 ZINC000616639034 352394872 /nfs/dbraw/zinc/39/48/72/352394872.db2.gz LLBDUGIPBOQGTI-KRWDZBQOSA-N 1 1 268.360 2.842 10 0 CFAEMO Nc1cccc([C@@H]2COCC[N@@H+]2Cc2ccccc2)c1 ZINC000616639030 352395096 /nfs/dbraw/zinc/39/50/96/352395096.db2.gz LJGIKSXZBXEITI-KRWDZBQOSA-N 1 1 268.360 2.842 10 0 CFAEMO Nc1cccc([C@@H]2COCC[N@H+]2Cc2ccccc2)c1 ZINC000616639030 352395099 /nfs/dbraw/zinc/39/50/99/352395099.db2.gz LJGIKSXZBXEITI-KRWDZBQOSA-N 1 1 268.360 2.842 10 0 CFAEMO CC(=O)Nc1ccc([C@H]2C[N@H+](C(C)(C)C)CCO2)cc1 ZINC000616644224 352396075 /nfs/dbraw/zinc/39/60/75/352396075.db2.gz ABEHBCBJYFVYNP-OAHLLOKOSA-N 1 1 276.380 2.817 10 0 CFAEMO CC(C)(C)OC(=O)Nc1ccccc1[C@@H]1COCC[NH2+]1 ZINC000616641434 352396521 /nfs/dbraw/zinc/39/65/21/352396521.db2.gz ILYNTDZQTCWYRR-ZDUSSCGKSA-N 1 1 278.352 2.695 10 0 CFAEMO Nc1cccc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000616644008 352396578 /nfs/dbraw/zinc/39/65/78/352396578.db2.gz AMGRFXOPEHUNQU-QGZVFWFLSA-N 1 1 268.360 2.842 10 0 CFAEMO CCOC(=O)c1cccc([C@@H]2COCCC[N@H+]2CC)c1 ZINC000616649662 352398532 /nfs/dbraw/zinc/39/85/32/352398532.db2.gz PZOVBFQRJRUVAO-HNNXBMFYSA-N 1 1 277.364 2.647 10 0 CFAEMO CNc1cccc([C@@H]2c3ccccc3CC[N@@H+]2CCO)c1 ZINC000616679496 352410239 /nfs/dbraw/zinc/41/02/39/352410239.db2.gz VBDGTBFNCJSVEH-GOSISDBHSA-N 1 1 282.387 2.668 10 0 CFAEMO Nc1cccc([C@H]2CCOCC[N@H+]2Cc2ccccc2)n1 ZINC000616657515 352401566 /nfs/dbraw/zinc/40/15/66/352401566.db2.gz BHPLISGCIURMNP-MRXNPFEDSA-N 1 1 283.375 2.627 10 0 CFAEMO c1coc([C@@H]2CC[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000616662948 352403459 /nfs/dbraw/zinc/40/34/59/352403459.db2.gz FNCUTJQYJXMTBJ-AWEZNQCLSA-N 1 1 258.321 2.638 10 0 CFAEMO CCc1ccccc1C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000154133662 188125662 /nfs/dbraw/zinc/12/56/62/188125662.db2.gz GFQQNRDNYLZJPH-HNNXBMFYSA-N 1 1 274.408 2.805 10 0 CFAEMO CCc1ccccc1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000154268186 188132293 /nfs/dbraw/zinc/13/22/93/188132293.db2.gz YUGGTJRPMFVGDY-BBRMVZONSA-N 1 1 274.408 2.708 10 0 CFAEMO CSC[C@H]1CCC[N@@H+](C[C@@](C)(O)c2ccccc2)C1 ZINC000292449174 198292647 /nfs/dbraw/zinc/29/26/47/198292647.db2.gz PFCULSAOCNPSIU-GOEBONIOSA-N 1 1 279.449 2.969 10 0 CFAEMO CC(C)[N@@H+]1C[C@H](NC(=O)[C@@H](C)c2cccs2)[C@@H](C)C1 ZINC000155637363 188218232 /nfs/dbraw/zinc/21/82/32/188218232.db2.gz FMLUEBPUGJDOMG-AVGNSLFASA-N 1 1 280.437 2.697 10 0 CFAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)Cc2ccccc2Cl)C1 ZINC000155672334 188220637 /nfs/dbraw/zinc/22/06/37/188220637.db2.gz MKECLUZUKQKCRJ-DOMZBBRYSA-N 1 1 294.826 2.727 10 0 CFAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc3ncccc32)C1 ZINC000155455219 188207614 /nfs/dbraw/zinc/20/76/14/188207614.db2.gz AEPCNHOHRABCKN-DYVFJYSZSA-N 1 1 297.402 2.693 10 0 CFAEMO Cc1ccsc1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000155491305 188209877 /nfs/dbraw/zinc/20/98/77/188209877.db2.gz NKQZAOGOTWKGMK-RYUDHWBXSA-N 1 1 266.410 2.515 10 0 CFAEMO C[N@@H+](CCc1nccs1)C[C@@](C)(O)c1ccccc1 ZINC000157884123 188345086 /nfs/dbraw/zinc/34/50/86/188345086.db2.gz REZDFRPTWLIJBH-OAHLLOKOSA-N 1 1 276.405 2.525 10 0 CFAEMO OCCC[C@@H]1CCC[N@H+]1Cc1ccncc1Br ZINC000625133231 353981654 /nfs/dbraw/zinc/98/16/54/353981654.db2.gz LDHCIBBLUCLPEE-LBPRGKRZSA-N 1 1 299.212 2.581 10 0 CFAEMO Fc1ccc2c(c1)[C@@H](N1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000177713685 283002198 /nfs/dbraw/zinc/00/21/98/283002198.db2.gz UJOTZGTYISDTNI-ZBFHGGJFSA-N 1 1 260.356 2.593 10 0 CFAEMO CCCCc1noc([C@H](C)[NH2+][C@@H](C)[C@H]2CCCO2)n1 ZINC000248588124 540271744 /nfs/dbraw/zinc/27/17/44/540271744.db2.gz KHKIEJDINBDURJ-SDDRHHMPSA-N 1 1 267.373 2.630 10 0 CFAEMO CC[N@H+]1CCC[C@H](N[C@H](C)c2nc(C)sc2C)C1 ZINC000250346914 540339045 /nfs/dbraw/zinc/33/90/45/540339045.db2.gz QPEZATRGWRTYKN-MFKMUULPSA-N 1 1 267.442 2.895 10 0 CFAEMO CCN1CCC[C@H]([NH2+][C@H](C)c2nc(C)sc2C)C1 ZINC000250346914 540339048 /nfs/dbraw/zinc/33/90/48/540339048.db2.gz QPEZATRGWRTYKN-MFKMUULPSA-N 1 1 267.442 2.895 10 0 CFAEMO CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1Cc1nccs1 ZINC000251653716 540387935 /nfs/dbraw/zinc/38/79/35/540387935.db2.gz GPOKWSWDPYBWSD-OLZOCXBDSA-N 1 1 265.426 2.592 10 0 CFAEMO CSc1ccc(C[N@H+]2CCC[C@@H](O)[C@@H]2C)cc1 ZINC000294711980 199146705 /nfs/dbraw/zinc/14/67/05/199146705.db2.gz BYCLYEZAPVYZTE-SMDDNHRTSA-N 1 1 251.395 2.754 10 0 CFAEMO C[C@@H]1[C@@H](O)CCC[N@H+]1Cc1cnc2ccccc2c1 ZINC000294714066 199148187 /nfs/dbraw/zinc/14/81/87/199148187.db2.gz BZVWAPNHJHEDMA-WBMJQRKESA-N 1 1 256.349 2.580 10 0 CFAEMO C[C@H]1[C@H](O)CCC[N@H+]1Cc1ccccc1Br ZINC000294734233 199157761 /nfs/dbraw/zinc/15/77/61/199157761.db2.gz DNNKJILNAKYBQJ-GXFFZTMASA-N 1 1 284.197 2.794 10 0 CFAEMO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1cc(Br)cs1 ZINC000294934977 199258023 /nfs/dbraw/zinc/25/80/23/199258023.db2.gz GOJDAEXNMUVZSN-KCJUWKMLSA-N 1 1 290.226 2.856 10 0 CFAEMO C[C@@H]1[C@@H](O)CCC[N@H+]1Cc1cc(Br)cs1 ZINC000294934977 199258024 /nfs/dbraw/zinc/25/80/24/199258024.db2.gz GOJDAEXNMUVZSN-KCJUWKMLSA-N 1 1 290.226 2.856 10 0 CFAEMO Cc1[nH+]ccn1-c1cncc(NC(C2CCC2)C2CCC2)n1 ZINC000329300993 202273134 /nfs/dbraw/zinc/27/31/34/202273134.db2.gz VOUPVTPBINKWCI-UHFFFAOYSA-N 1 1 297.406 2.773 10 0 CFAEMO CCn1c(C)cc(C(=O)N(C)C[C@@H]2CCC[N@H+]2CC)c1C ZINC000176976587 189017985 /nfs/dbraw/zinc/01/79/85/189017985.db2.gz PCQHFHRDWCRHKC-HNNXBMFYSA-N 1 1 291.439 2.681 10 0 CFAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)c1cccc(F)c1 ZINC000176983911 189018766 /nfs/dbraw/zinc/01/87/66/189018766.db2.gz ZAIADSDJMFMIEX-XJKSGUPXSA-N 1 1 292.398 2.872 10 0 CFAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccc2c(c1)CCC2 ZINC000176988061 189019389 /nfs/dbraw/zinc/01/93/89/189019389.db2.gz HNYQZAWOAWZUTQ-KRWDZBQOSA-N 1 1 286.419 2.732 10 0 CFAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)CCc1ccsc1 ZINC000177028309 189021542 /nfs/dbraw/zinc/02/15/42/189021542.db2.gz QXINJNUQHDSSJM-CQSZACIVSA-N 1 1 280.437 2.623 10 0 CFAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(C)cc1 ZINC000177035454 189022264 /nfs/dbraw/zinc/02/22/64/189022264.db2.gz QNAITJSOXYXUOK-OAHLLOKOSA-N 1 1 260.381 2.551 10 0 CFAEMO CCc1csc([C@@H]2CCC[N@@H+](Cc3cncn3C)C2)n1 ZINC000177032846 189022867 /nfs/dbraw/zinc/02/28/67/189022867.db2.gz PTUGKBHFZKOZHD-GFCCVEGCSA-N 1 1 290.436 2.819 10 0 CFAEMO C[C@@H]1CC[N@H+](C[C@@H]2CCCCC2(F)F)[C@H](CN)C1 ZINC000381762991 540699999 /nfs/dbraw/zinc/69/99/99/540699999.db2.gz XIQGTQDYTILHSO-AGIUHOORSA-N 1 1 260.372 2.871 10 0 CFAEMO C[C@@H]1CC[N@@H+](C[C@@H]2CCCCC2(F)F)[C@H](CN)C1 ZINC000381762991 540700002 /nfs/dbraw/zinc/70/00/02/540700002.db2.gz XIQGTQDYTILHSO-AGIUHOORSA-N 1 1 260.372 2.871 10 0 CFAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc2[nH]ccc21 ZINC000177157565 189032584 /nfs/dbraw/zinc/03/25/84/189032584.db2.gz MGAWIOHRABZNKR-QWHCGFSZSA-N 1 1 298.390 2.868 10 0 CFAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](C)c1cccs1 ZINC000177335746 189044259 /nfs/dbraw/zinc/04/42/59/189044259.db2.gz WBCNWZUMNLZGFN-STQMWFEESA-N 1 1 295.452 2.935 10 0 CFAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1ccc(Cl)o1 ZINC000177203688 189035939 /nfs/dbraw/zinc/03/59/39/189035939.db2.gz IEJZPPVFFLXSMU-NSHDSACASA-N 1 1 293.754 2.743 10 0 CFAEMO Cc1ncsc1CC[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178331706 189107599 /nfs/dbraw/zinc/10/75/99/189107599.db2.gz OGJQBZZPZIXYCM-CQSZACIVSA-N 1 1 290.436 2.664 10 0 CFAEMO CC[N@@H+](CCC(=O)OC)C[C@H](C)c1ccc(OC)cc1 ZINC000179825753 189222324 /nfs/dbraw/zinc/22/23/24/189222324.db2.gz IHRYVIXZKJNQIJ-ZDUSSCGKSA-N 1 1 279.380 2.684 10 0 CFAEMO C[C@@H]1Cc2[nH+]cn(C[C@@H]3CCC[C@H](O)C3)c2C[C@H]1C ZINC000311938550 541030137 /nfs/dbraw/zinc/03/01/37/541030137.db2.gz VVMFNUNXJFHJPF-SYQHCUMBSA-N 1 1 262.397 2.805 10 0 CFAEMO C[C@@H]([NH2+][C@@H](C)c1nc(-c2ccccc2)no1)[C@@H]1CCCO1 ZINC000183104453 189346642 /nfs/dbraw/zinc/34/66/42/189346642.db2.gz YLMRNQGNRWGIDF-DYEKYZERSA-N 1 1 287.363 2.955 10 0 CFAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1cc(C)ccn1 ZINC000184061212 189375130 /nfs/dbraw/zinc/37/51/30/189375130.db2.gz SOIONHIFGIZAHI-AWEZNQCLSA-N 1 1 299.378 2.591 10 0 CFAEMO CC/C=C/CC[N@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000184516759 189388215 /nfs/dbraw/zinc/38/82/15/189388215.db2.gz ORPDIKDEELHZFT-SNAWJCMRSA-N 1 1 274.412 2.653 10 0 CFAEMO CCS[C@@H]1CC[C@]1(O)CNc1[nH]c2ccccc2[nH+]1 ZINC000301891428 201250237 /nfs/dbraw/zinc/25/02/37/201250237.db2.gz RKXZAQSKUJRRSW-OCCSQVGLSA-N 1 1 277.393 2.621 10 0 CFAEMO CCC[NH2+]CC(F)(F)CN(C)Cc1ccccc1 ZINC000685955195 541465779 /nfs/dbraw/zinc/46/57/79/541465779.db2.gz AJXMIFWXQZBRTK-UHFFFAOYSA-N 1 1 256.340 2.753 10 0 CFAEMO CC(C)[C@H]1CCC[N@@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000444752246 241183595 /nfs/dbraw/zinc/18/35/95/241183595.db2.gz FADUIBNOLUEQKB-ZWKOTPCHSA-N 1 1 291.435 2.932 10 0 CFAEMO c1cn(CCC[N@H+]2CCC[C@H]2c2nc3c([nH]2)CCCC3)cn1 ZINC000275903962 193159093 /nfs/dbraw/zinc/15/90/93/193159093.db2.gz IQUQDWIBGKQGGX-INIZCTEOSA-N 1 1 299.422 2.712 10 0 CFAEMO Brc1cc(C[NH+]2C[C@H]3CCC[C@@H]3C2)on1 ZINC000276599488 193395565 /nfs/dbraw/zinc/39/55/65/193395565.db2.gz QZLMXDVXEZEGLB-RKDXNWHRSA-N 1 1 271.158 2.669 10 0 CFAEMO CCN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000242687500 284193354 /nfs/dbraw/zinc/19/33/54/284193354.db2.gz UJYWKPOISCOPCC-VXGBXAGGSA-N 1 1 256.390 2.584 10 0 CFAEMO C[N@H+]1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(N)cc13 ZINC000013532319 372031522 /nfs/dbraw/zinc/03/15/22/372031522.db2.gz CYPHSPITDGFDMD-USXIJHARSA-N 1 1 256.393 2.957 10 0 CFAEMO COc1ccc(C[N@@H+]2CCc3cc(OC)c(O)cc3C2)cc1 ZINC000014695653 372071847 /nfs/dbraw/zinc/07/18/47/372071847.db2.gz GYHXUCQTTQOORU-UHFFFAOYSA-N 1 1 299.370 2.968 10 0 CFAEMO COc1ccc(C[N@H+]2CCc3cc(OC)c(O)cc3C2)cc1 ZINC000014695653 372071851 /nfs/dbraw/zinc/07/18/51/372071851.db2.gz GYHXUCQTTQOORU-UHFFFAOYSA-N 1 1 299.370 2.968 10 0 CFAEMO CCCC[C@](O)(CC[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000027346081 372339102 /nfs/dbraw/zinc/33/91/02/372339102.db2.gz YBPOWEYTTFEURQ-KRWDZBQOSA-N 1 1 295.398 2.926 10 0 CFAEMO CC[N@H+](Cc1ccccc1)C[C@H](O)c1cccnc1 ZINC000032109138 372427671 /nfs/dbraw/zinc/42/76/71/372427671.db2.gz OVPJYNZBWHTUFC-INIZCTEOSA-N 1 1 256.349 2.637 10 0 CFAEMO O[C@@H](C[NH+]1CCOCC1)c1ccc(C2CCCC2)cc1 ZINC000033889674 372502633 /nfs/dbraw/zinc/50/26/33/372502633.db2.gz ONWYLAZEWPCYAR-KRWDZBQOSA-N 1 1 275.392 2.710 10 0 CFAEMO C[C@@H](O)CN1CC[N@@H+](CC2CCC(C)(C)CC2)C[C@@H]1C ZINC000120622369 296185664 /nfs/dbraw/zinc/18/56/64/296185664.db2.gz NOUZNMFLJKOOED-LSDHHAIUSA-N 1 1 282.472 2.590 10 0 CFAEMO CCC[N@H+](Cc1ccco1)C[C@H](O)COC(C)(C)C ZINC000036031291 372554154 /nfs/dbraw/zinc/55/41/54/372554154.db2.gz NLHDXEBAYWNVKF-ZDUSSCGKSA-N 1 1 269.385 2.668 10 0 CFAEMO CC(C)C[N@H+](Cc1ccsc1)C[C@@H](O)COC(C)C ZINC000036099201 372559208 /nfs/dbraw/zinc/55/92/08/372559208.db2.gz OQZRADJNAWCGNZ-OAHLLOKOSA-N 1 1 285.453 2.992 10 0 CFAEMO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)o1 ZINC000037980986 372747433 /nfs/dbraw/zinc/74/74/33/372747433.db2.gz FNAYIHPOQOFTQN-DRZSPHRISA-N 1 1 266.385 2.932 10 0 CFAEMO CC1CC[NH+](CCN[C@@H]2CCc3c2cccc3O)CC1 ZINC000040771883 372786866 /nfs/dbraw/zinc/78/68/66/372786866.db2.gz LTOPLOGQCVBZQM-MRXNPFEDSA-N 1 1 274.408 2.701 10 0 CFAEMO CC[N@H+]1CCC[C@@H](Nc2ccc(Br)cn2)C1 ZINC000048505767 373193601 /nfs/dbraw/zinc/19/36/01/373193601.db2.gz OVOXERRXVDAGRC-LLVKDONJSA-N 1 1 284.201 2.740 10 0 CFAEMO CC(C)C[C@H]1CCCC[N@H+]1Cc1nnnn1C(C)C ZINC000123538121 220212688 /nfs/dbraw/zinc/21/26/88/220212688.db2.gz QABGNMJOCKIMHZ-CYBMUJFWSA-N 1 1 265.405 2.655 10 0 CFAEMO CC[N@H+]1CCC[C@H](NC(=O)N(CC(C)C)CC(C)C)C1 ZINC000057869676 373617164 /nfs/dbraw/zinc/61/71/64/373617164.db2.gz UVAXBRUWEOWRPA-HNNXBMFYSA-N 1 1 283.460 2.794 10 0 CFAEMO CCn1cnnc1[C@H]1CCC[N@@H+](Cc2ccc(C)o2)C1 ZINC000065287731 373852493 /nfs/dbraw/zinc/85/24/93/373852493.db2.gz ISSIARTXSYHNMG-ZDUSSCGKSA-N 1 1 274.368 2.579 10 0 CFAEMO CC1(C)CO[C@H](c2ccccc2)C[N@H+]1CCn1cccn1 ZINC000066896619 373962846 /nfs/dbraw/zinc/96/28/46/373962846.db2.gz KRNXGPPNLSKZSD-INIZCTEOSA-N 1 1 285.391 2.735 10 0 CFAEMO CCC(C)(C)[N@@H+](C)C[C@H](O)COCc1ccccc1 ZINC000070380152 374170184 /nfs/dbraw/zinc/17/01/84/374170184.db2.gz LMGFFGGIOURJNC-HNNXBMFYSA-N 1 1 265.397 2.685 10 0 CFAEMO CCC[N@H+]1CC(CO)=C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000080431709 374654417 /nfs/dbraw/zinc/65/44/17/374654417.db2.gz ZIXOGYRTGBSSMJ-NVXWUHKLSA-N 1 1 282.387 2.821 10 0 CFAEMO CC1CCC(C[NH2+]C[C@@H]2CCN(C3CC3)C2)CC1 ZINC000089576357 374924776 /nfs/dbraw/zinc/92/47/76/374924776.db2.gz VGKOJESADWIYNR-NRXISQOPSA-N 1 1 250.430 2.887 10 0 CFAEMO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1cccs1 ZINC000090226975 375006180 /nfs/dbraw/zinc/00/61/80/375006180.db2.gz DBBKZYATYXBEET-MWLCHTKSSA-N 1 1 262.382 2.834 10 0 CFAEMO CCc1nn(C)c(CC)c1C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000091979500 375073963 /nfs/dbraw/zinc/07/39/63/375073963.db2.gz ANJHSUGTPRHYLY-DLBZAZTESA-N 1 1 291.439 2.688 10 0 CFAEMO CCc1nn(C)c(CC)c1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000091979500 375073972 /nfs/dbraw/zinc/07/39/72/375073972.db2.gz ANJHSUGTPRHYLY-DLBZAZTESA-N 1 1 291.439 2.688 10 0 CFAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cc2ccccc2[nH]1 ZINC000092667339 375137159 /nfs/dbraw/zinc/13/71/59/375137159.db2.gz RHJAWTAANUBRPZ-AWEZNQCLSA-N 1 1 285.391 2.724 10 0 CFAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cccc2cc[nH]c21 ZINC000092667388 375137444 /nfs/dbraw/zinc/13/74/44/375137444.db2.gz JLYKYUABUFXSAJ-AWEZNQCLSA-N 1 1 285.391 2.724 10 0 CFAEMO COc1c(C[N@H+]2CCC[C@@H]2C2CCC2)c(C)nn1C ZINC000092781053 375152137 /nfs/dbraw/zinc/15/21/37/375152137.db2.gz LHENNTLXLDITGE-CQSZACIVSA-N 1 1 263.385 2.502 10 0 CFAEMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cn(C)nc2C)C12CCCC2 ZINC000093610962 375273724 /nfs/dbraw/zinc/27/37/24/375273724.db2.gz QWRXESNOLLCVLR-JKSUJKDBSA-N 1 1 291.439 2.898 10 0 CFAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(C)cc1F ZINC000094239588 375348014 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Cc1ccc(C)c(C[NH+]2CCN(C(=O)CC(C)C)CC2)c1 ZINC000043615790 175079665 /nfs/dbraw/zinc/07/96/65/175079665.db2.gz STWDIIBRHBGQCQ-UHFFFAOYSA-N 1 1 288.435 2.994 10 0 CFAEMO C[C@@H](O)c1nc2cc([C@@H]([NH3+])c3ccccc3)ccc2[nH]1 ZINC000043647193 175085154 /nfs/dbraw/zinc/08/51/54/175085154.db2.gz RIGKYCBSGGAGKP-BMIGLBTASA-N 1 1 267.332 2.664 10 0 CFAEMO CN[C@@H](C[NH+]1CCC(C)CC1)c1ccc(OC)cc1OC ZINC000043806293 175108052 /nfs/dbraw/zinc/10/80/52/175108052.db2.gz ZDTJVAYWNDZODF-INIZCTEOSA-N 1 1 292.423 2.696 10 0 CFAEMO CC[NH2+][C@@H](CN1CCN(CC)CC1)c1cc(C)ccc1C ZINC000043806057 175108166 /nfs/dbraw/zinc/10/81/66/175108166.db2.gz MPBYRJHUHWTODV-SFHVURJKSA-N 1 1 289.467 2.592 10 0 CFAEMO CC[NH2+][C@H]1CC[C@@H](C(C)(C)C)C[C@@H]1N1CCN(CC)CC1 ZINC000043806030 175108679 /nfs/dbraw/zinc/10/86/79/175108679.db2.gz OFEPYTKDKVLDHZ-IKGGRYGDSA-N 1 1 295.515 2.817 10 0 CFAEMO CCC[NH2+][C@H](CN1CCN(C)CC1)c1ccc(C)cc1C ZINC000043811017 175110021 /nfs/dbraw/zinc/11/00/21/175110021.db2.gz KGMKJEPXXDJGGR-GOSISDBHSA-N 1 1 289.467 2.592 10 0 CFAEMO CCC[NH2+][C@H](CN1CCN(C)CC1)c1ccc(C)c(C)c1 ZINC000043811053 175110281 /nfs/dbraw/zinc/11/02/81/175110281.db2.gz ITRISBVSYVQCQC-GOSISDBHSA-N 1 1 289.467 2.592 10 0 CFAEMO CN[C@H]1c2ccccc2OC[C@H]1[NH+]1CCCCCC1 ZINC000043812108 175110709 /nfs/dbraw/zinc/11/07/09/175110709.db2.gz AVXYJIAGVUYITG-ZBFHGGJFSA-N 1 1 260.381 2.584 10 0 CFAEMO CCN[C@H](C[N@H+](C)C(C)C)c1ccc(OC)cc1OC ZINC000043813308 175110801 /nfs/dbraw/zinc/11/08/01/175110801.db2.gz CLHZZUPGKFEBMO-OAHLLOKOSA-N 1 1 280.412 2.695 10 0 CFAEMO CCN[C@H](C[N@@H+](C)C(C)C)c1ccc(OC)cc1OC ZINC000043813308 175110803 /nfs/dbraw/zinc/11/08/03/175110803.db2.gz CLHZZUPGKFEBMO-OAHLLOKOSA-N 1 1 280.412 2.695 10 0 CFAEMO CN[C@@H](C[NH+]1CCCCCC1)c1ccc2c(c1)OCCO2 ZINC000043812053 175111321 /nfs/dbraw/zinc/11/13/21/175111321.db2.gz GSZAILLVFYEBJE-HNNXBMFYSA-N 1 1 290.407 2.594 10 0 CFAEMO CN[C@@H](C[N@@H+](C)C1CCCCC1)c1ccc2c(c1)OCO2 ZINC000043814989 175111475 /nfs/dbraw/zinc/11/14/75/175111475.db2.gz DIABPERMBDSZKT-HNNXBMFYSA-N 1 1 290.407 2.940 10 0 CFAEMO C[NH2+][C@@H](CN(C)C1CCCCC1)c1ccc2c(c1)OCO2 ZINC000043814989 175111477 /nfs/dbraw/zinc/11/14/77/175111477.db2.gz DIABPERMBDSZKT-HNNXBMFYSA-N 1 1 290.407 2.940 10 0 CFAEMO CCN[C@@H](C[N@H+](C)C(C)C)c1cc(C)ccc1OC ZINC000043813511 175111819 /nfs/dbraw/zinc/11/18/19/175111819.db2.gz QJIBEFASYCHGAZ-HNNXBMFYSA-N 1 1 264.413 2.994 10 0 CFAEMO CCN[C@@H](C[N@@H+](C)C(C)C)c1cc(C)ccc1OC ZINC000043813511 175111820 /nfs/dbraw/zinc/11/18/20/175111820.db2.gz QJIBEFASYCHGAZ-HNNXBMFYSA-N 1 1 264.413 2.994 10 0 CFAEMO CCC[NH2+][C@H]1CCC2(C[C@H]1N(CCC)CCC)OCCO2 ZINC000043814868 175111879 /nfs/dbraw/zinc/11/18/79/175111879.db2.gz JDTDPGVZOGNKFJ-JKSUJKDBSA-N 1 1 298.471 2.772 10 0 CFAEMO CCC[NH2+][C@H]1CCC2(C[C@@H]1N(CCC)CCC)OCCO2 ZINC000043814866 175111984 /nfs/dbraw/zinc/11/19/84/175111984.db2.gz JDTDPGVZOGNKFJ-HOTGVXAUSA-N 1 1 298.471 2.772 10 0 CFAEMO CCCC[N@H+](C)C[C@H](NC)c1cccc(OC)c1 ZINC000043816725 175112433 /nfs/dbraw/zinc/11/24/33/175112433.db2.gz LCVZZOUKIJJTQN-HNNXBMFYSA-N 1 1 250.386 2.688 10 0 CFAEMO CCCC[N@@H+](C)C[C@H](NC)c1cccc(OC)c1 ZINC000043816725 175112435 /nfs/dbraw/zinc/11/24/35/175112435.db2.gz LCVZZOUKIJJTQN-HNNXBMFYSA-N 1 1 250.386 2.688 10 0 CFAEMO CCCC[N@H+](CC)[C@@H]1COc2ccccc2[C@@H]1NC ZINC000043817526 175112438 /nfs/dbraw/zinc/11/24/38/175112438.db2.gz YHFPQJGCDOVXMS-ZBFHGGJFSA-N 1 1 262.397 2.830 10 0 CFAEMO CCCC[N@@H+](CC)[C@@H]1COc2ccccc2[C@@H]1NC ZINC000043817526 175112440 /nfs/dbraw/zinc/11/24/40/175112440.db2.gz YHFPQJGCDOVXMS-ZBFHGGJFSA-N 1 1 262.397 2.830 10 0 CFAEMO CCC[NH2+][C@H](C)c1ccc(OC)c(CN(C)C)c1 ZINC000043816329 175112652 /nfs/dbraw/zinc/11/26/52/175112652.db2.gz DITXPUQCOATCCV-GFCCVEGCSA-N 1 1 250.386 2.817 10 0 CFAEMO CC[N@H+](C[C@H](NC)c1cc(C)ccc1OC)C(C)C ZINC000043824207 175114341 /nfs/dbraw/zinc/11/43/41/175114341.db2.gz JCLWRBUHRGRZRL-HNNXBMFYSA-N 1 1 264.413 2.994 10 0 CFAEMO CC[N@@H+](C[C@H](NC)c1cc(C)ccc1OC)C(C)C ZINC000043824207 175114343 /nfs/dbraw/zinc/11/43/43/175114343.db2.gz JCLWRBUHRGRZRL-HNNXBMFYSA-N 1 1 264.413 2.994 10 0 CFAEMO CCC[N@H+](CC)C[C@@H](NCC)c1ccc2c(c1)OCCO2 ZINC000043884595 175116395 /nfs/dbraw/zinc/11/63/95/175116395.db2.gz SNSKQAJZOJJZCG-OAHLLOKOSA-N 1 1 292.423 2.840 10 0 CFAEMO CCC[N@@H+](CC)C[C@@H](NCC)c1ccc2c(c1)OCCO2 ZINC000043884595 175116396 /nfs/dbraw/zinc/11/63/96/175116396.db2.gz SNSKQAJZOJJZCG-OAHLLOKOSA-N 1 1 292.423 2.840 10 0 CFAEMO CC[N@H+](CC(C)C)C[C@@H](NC)c1ccc(OC)cc1 ZINC000043887908 175117717 /nfs/dbraw/zinc/11/77/17/175117717.db2.gz VJIPETXZVYWCQR-MRXNPFEDSA-N 1 1 264.413 2.934 10 0 CFAEMO CC[N@@H+](CC(C)C)C[C@@H](NC)c1ccc(OC)cc1 ZINC000043887908 175117720 /nfs/dbraw/zinc/11/77/20/175117720.db2.gz VJIPETXZVYWCQR-MRXNPFEDSA-N 1 1 264.413 2.934 10 0 CFAEMO CCN[C@H](C[N@H+](C)CC(C)C)c1ccc2c(c1)OCO2 ZINC000043886827 175117864 /nfs/dbraw/zinc/11/78/64/175117864.db2.gz GCOJGWLXGRITJH-CQSZACIVSA-N 1 1 278.396 2.654 10 0 CFAEMO CCN[C@H](C[N@@H+](C)CC(C)C)c1ccc2c(c1)OCO2 ZINC000043886827 175117865 /nfs/dbraw/zinc/11/78/65/175117865.db2.gz GCOJGWLXGRITJH-CQSZACIVSA-N 1 1 278.396 2.654 10 0 CFAEMO CC[NH2+][C@@H]1CCCCCC[C@@H]1N1CCC(OC)CC1 ZINC000043890179 175118360 /nfs/dbraw/zinc/11/83/60/175118360.db2.gz IICBOGBISMEWTA-CVEARBPZSA-N 1 1 268.445 2.798 10 0 CFAEMO CN[C@@H](c1ccc(C)cc1)[C@H](C)[N@H+](C)C1CCOCC1 ZINC000043898222 175121164 /nfs/dbraw/zinc/12/11/64/175121164.db2.gz MQFOMJIBEKNOPR-WMLDXEAASA-N 1 1 276.424 2.755 10 0 CFAEMO CN[C@@H](c1ccc(C)cc1)[C@H](C)[N@@H+](C)C1CCOCC1 ZINC000043898222 175121166 /nfs/dbraw/zinc/12/11/66/175121166.db2.gz MQFOMJIBEKNOPR-WMLDXEAASA-N 1 1 276.424 2.755 10 0 CFAEMO CN[C@@H]1c2ccccc2CCC[C@@H]1[N@H+](C)C1CCOCC1 ZINC000043898095 175121318 /nfs/dbraw/zinc/12/13/18/175121318.db2.gz DUWOXQMUTVLHDS-ZWKOTPCHSA-N 1 1 288.435 2.763 10 0 CFAEMO CN[C@@H]1c2ccccc2CCC[C@@H]1[N@@H+](C)C1CCOCC1 ZINC000043898095 175121319 /nfs/dbraw/zinc/12/13/19/175121319.db2.gz DUWOXQMUTVLHDS-ZWKOTPCHSA-N 1 1 288.435 2.763 10 0 CFAEMO CCN[C@@H](C[N@H+](C)C1CCOCC1)c1ccc(C)cc1 ZINC000043898340 175121381 /nfs/dbraw/zinc/12/13/81/175121381.db2.gz KJULQBQJSBSRAO-KRWDZBQOSA-N 1 1 276.424 2.756 10 0 CFAEMO CCN[C@@H](C[N@@H+](C)C1CCOCC1)c1ccc(C)cc1 ZINC000043898340 175121382 /nfs/dbraw/zinc/12/13/82/175121382.db2.gz KJULQBQJSBSRAO-KRWDZBQOSA-N 1 1 276.424 2.756 10 0 CFAEMO CN[C@H](C[N@H+](C)C1CCOCC1)c1ccc(C)cc1C ZINC000043898207 175121463 /nfs/dbraw/zinc/12/14/63/175121463.db2.gz VGRYDABNDUQAEG-QGZVFWFLSA-N 1 1 276.424 2.675 10 0 CFAEMO CN[C@H](C[N@@H+](C)C1CCOCC1)c1ccc(C)cc1C ZINC000043898207 175121464 /nfs/dbraw/zinc/12/14/64/175121464.db2.gz VGRYDABNDUQAEG-QGZVFWFLSA-N 1 1 276.424 2.675 10 0 CFAEMO CCN[C@H](C[N@H+](C)CC1CC1)c1cc(OC)ccc1OC ZINC000043905934 175122379 /nfs/dbraw/zinc/12/23/79/175122379.db2.gz YDSYXCVTEAEMHI-MRXNPFEDSA-N 1 1 292.423 2.696 10 0 CFAEMO CCN[C@H](C[N@@H+](C)CC1CC1)c1cc(OC)ccc1OC ZINC000043905934 175122380 /nfs/dbraw/zinc/12/23/80/175122380.db2.gz YDSYXCVTEAEMHI-MRXNPFEDSA-N 1 1 292.423 2.696 10 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KKGJSIRLGLNNKL-INIZCTEOSA-N 1 1 286.460 2.820 10 0 CFAEMO CCC[NH2+][C@@](C)(CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(=O)[O-] ZINC000045373231 175364898 /nfs/dbraw/zinc/36/48/98/175364898.db2.gz IMZTVLRISFANOR-UXLLHSPISA-N 1 1 298.471 2.978 10 0 CFAEMO CC[N@H+](CCCC[C@@](C)(N)C(=O)OC)C1CCCCC1 ZINC000045372294 175364946 /nfs/dbraw/zinc/36/49/46/175364946.db2.gz QUTOZCZJZVUMNS-MRXNPFEDSA-N 1 1 284.444 2.702 10 0 CFAEMO CC[N@@H+](CCCC[C@@](C)(N)C(=O)OC)C1CCCCC1 ZINC000045372294 175364948 /nfs/dbraw/zinc/36/49/48/175364948.db2.gz QUTOZCZJZVUMNS-MRXNPFEDSA-N 1 1 284.444 2.702 10 0 CFAEMO COC(=O)[C@](C)(CCCC[N@H+]1CCCC[C@@H]1C)NC(C)C ZINC000045376094 175366646 /nfs/dbraw/zinc/36/66/46/175366646.db2.gz LIVKNKPLRROBFV-RDJZCZTQSA-N 1 1 298.471 2.961 10 0 CFAEMO CCCN[C@](C)(CCCC[N@@H+](C)C(C)C)C(=O)OCC ZINC000045377991 175367809 /nfs/dbraw/zinc/36/78/09/175367809.db2.gz BQHHIHCVJDIVFC-MRXNPFEDSA-N 1 1 286.460 2.818 10 0 CFAEMO CCC[NH2+][C@](C)(CCC[N@@H+]1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000045379656 175368894 /nfs/dbraw/zinc/36/88/94/175368894.db2.gz TXLPAKPYLSYRBO-IJEWVQPXSA-N 1 1 284.444 2.872 10 0 CFAEMO CCN(CCCC[C@@](C)([NH2+]C)C(=O)OC)c1ccccc1 ZINC000045379886 175369011 /nfs/dbraw/zinc/36/90/11/175369011.db2.gz PSRCMZPRDPJVDA-QGZVFWFLSA-N 1 1 292.423 2.834 10 0 CFAEMO CC[N@@H+](CCCC[C@](C)([NH2+]C(C)C)C(=O)[O-])CC(C)C ZINC000045381650 175369600 /nfs/dbraw/zinc/36/96/00/175369600.db2.gz SIFMTEVTFAQOCQ-INIZCTEOSA-N 1 1 286.460 2.976 10 0 CFAEMO CCC[NH2+][C@](C)(CCCC[N@@H+](CC)CC(C)C)C(=O)[O-] ZINC000045381647 175370377 /nfs/dbraw/zinc/37/03/77/175370377.db2.gz GSNMFNUAYHFHMG-MRXNPFEDSA-N 1 1 286.460 2.978 10 0 CFAEMO CCOC(=O)[C@](C)(CCC[N@@H+](CC)C(C)C)NC1CC1 ZINC000045383902 175371003 /nfs/dbraw/zinc/37/10/03/175371003.db2.gz HYEVVMYHPHSPJY-INIZCTEOSA-N 1 1 284.444 2.571 10 0 CFAEMO CCC[N@@H+](CCC[C@](C)(NC(C)C)C(=O)OC)C(C)C ZINC000045386055 175371849 /nfs/dbraw/zinc/37/18/49/175371849.db2.gz YCZZEFUHJHEBQT-INIZCTEOSA-N 1 1 286.460 2.817 10 0 CFAEMO CCCN[C@](C)(CCC[N@@H+](C)C1CCCC1)C(=O)OCC ZINC000045384898 175372120 /nfs/dbraw/zinc/37/21/20/175372120.db2.gz QYTOYLSALYCHKJ-QGZVFWFLSA-N 1 1 298.471 2.962 10 0 CFAEMO CCC[N@@H+](CCC[C@@](C)(NC(C)C)C(=O)OC)C(C)C ZINC000045386059 175372377 /nfs/dbraw/zinc/37/23/77/175372377.db2.gz YCZZEFUHJHEBQT-MRXNPFEDSA-N 1 1 286.460 2.817 10 0 CFAEMO CCC[N@@H+](CCC[C@](C)(NCC)C(=O)OCC)C1CC1 ZINC000045387603 175372868 /nfs/dbraw/zinc/37/28/68/175372868.db2.gz KSMDXIHTLXLKLB-INIZCTEOSA-N 1 1 284.444 2.572 10 0 CFAEMO CCC[N@@H+](CCCC[C@](C)([NH2+]C1CC1)C(=O)[O-])C1CC1 ZINC000045387387 175373138 /nfs/dbraw/zinc/37/31/38/175373138.db2.gz FEPFRSXJRQQMDT-INIZCTEOSA-N 1 1 282.428 2.626 10 0 CFAEMO CCOC(=O)[C@@](C)(CCC[N@@H+](CC)C1CC1)NC(C)C ZINC000045386599 175373250 /nfs/dbraw/zinc/37/32/50/175373250.db2.gz PDSXAMJDCRJXGK-MRXNPFEDSA-N 1 1 284.444 2.571 10 0 CFAEMO CCCN[C@](C)(CCC[N@@H+](CCC)C1CC1)C(=O)OCC ZINC000045387629 175373667 /nfs/dbraw/zinc/37/36/67/175373667.db2.gz GOEOCXJWQPAJDM-QGZVFWFLSA-N 1 1 298.471 2.962 10 0 CFAEMO CCN[C@](C)(CCC[N@@H+](CC)C1CCCC1)C(=O)OCC ZINC000045390625 175374651 /nfs/dbraw/zinc/37/46/51/175374651.db2.gz JOYRRQGTBXBSPC-QGZVFWFLSA-N 1 1 298.471 2.962 10 0 CFAEMO CCC(CC)[N@@H+](C)CCCC[C@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000045391382 175374865 /nfs/dbraw/zinc/37/48/65/175374865.db2.gz JTTVEYOLQNSMDR-INIZCTEOSA-N 1 1 284.444 2.872 10 0 CFAEMO CCOC(=O)[C@@](C)(N)CCCC[N@H+]1CCC[C@@H](CC)C1 ZINC000045393345 175376285 /nfs/dbraw/zinc/37/62/85/175376285.db2.gz CRCXBOVRPWRIQF-ZBFHGGJFSA-N 1 1 284.444 2.559 10 0 CFAEMO CC[NH2+][C@@](C)(CCCC[N@@H+](C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000045420973 175380338 /nfs/dbraw/zinc/38/03/38/175380338.db2.gz UXPCFKJVOUJACD-BBRMVZONSA-N 1 1 286.460 2.976 10 0 CFAEMO CCCC[N@@H+](CCC[C@@](C)([NH2+]CCC)C(=O)[O-])C1CC1 ZINC000045421756 175380614 /nfs/dbraw/zinc/38/06/14/175380614.db2.gz BDISPADQCIHEBR-MRXNPFEDSA-N 1 1 284.444 2.874 10 0 CFAEMO CCCOc1ccc([C@@H]([C@H](C)N)[NH+]2CCCC2)cc1 ZINC000071594603 176217539 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ZINC000312756290 260197969 /nfs/dbraw/zinc/19/79/69/260197969.db2.gz PKUXYGYROQBQIY-LLVKDONJSA-N 1 1 256.802 2.682 10 0 CFAEMO COC(=O)[C@@]1(C)CCC[N@H+]1CCc1ccc(C)cc1 ZINC000186398071 262315036 /nfs/dbraw/zinc/31/50/36/262315036.db2.gz ZEAPAEODGRTJSW-MRXNPFEDSA-N 1 1 261.365 2.565 10 0 CFAEMO FC1(F)CCCC[C@@H]1CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000390999906 262375913 /nfs/dbraw/zinc/37/59/13/262375913.db2.gz DBKNCXWUVKTSDA-KGLIPLIRSA-N 1 1 272.383 2.982 10 0 CFAEMO FC1(F)CCCC[C@@H]1C[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000390999906 262375914 /nfs/dbraw/zinc/37/59/14/262375914.db2.gz DBKNCXWUVKTSDA-KGLIPLIRSA-N 1 1 272.383 2.982 10 0 CFAEMO FC1(F)CCCC[C@@H]1C[N@H+]1CCN2CCCC[C@H]2C1 ZINC000390999906 262375915 /nfs/dbraw/zinc/37/59/15/262375915.db2.gz DBKNCXWUVKTSDA-KGLIPLIRSA-N 1 1 272.383 2.982 10 0 CFAEMO C[C@@H](NCc1ccccc1C(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000400442723 274252865 /nfs/dbraw/zinc/25/28/65/274252865.db2.gz MVGQHQINYYFAGC-GHMZBOCLSA-N 1 1 272.314 2.793 10 0 CFAEMO CC[N@H+]1CCC[C@H](NC(=O)Nc2cccc3cccnc32)C1 ZINC000194324577 270244294 /nfs/dbraw/zinc/24/42/94/270244294.db2.gz QQHBEGWIACTISO-AWEZNQCLSA-N 1 1 298.390 2.841 10 0 CFAEMO Cc1ccc([C@H](C)[NH2+]CC(=O)N[C@H]2CCCC[C@@H]2C)o1 ZINC000194708739 270246598 /nfs/dbraw/zinc/24/65/98/270246598.db2.gz PCYCQGRHMYRAEM-UBHSHLNASA-N 1 1 278.396 2.934 10 0 CFAEMO CC(C)C[C@H](C)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000185504424 279089013 /nfs/dbraw/zinc/08/90/13/279089013.db2.gz NQHPSIGEZGQRII-MJBXVCDLSA-N 1 1 254.418 2.514 10 0 CFAEMO COC(=O)[C@H](C)C[N@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000227442588 270257415 /nfs/dbraw/zinc/25/74/15/270257415.db2.gz YPKYOXNNORHBGQ-CHWSQXEVSA-N 1 1 255.402 2.944 10 0 CFAEMO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1cccc(F)c1Cl ZINC000395093678 270310669 /nfs/dbraw/zinc/31/06/69/270310669.db2.gz IYPNTBDOYAXZQT-JOYOIKCWSA-N 1 1 257.736 2.824 10 0 CFAEMO C[C@H]1[C@H](O)CCC[N@H+]1Cc1cccc(F)c1Cl ZINC000395093678 270310672 /nfs/dbraw/zinc/31/06/72/270310672.db2.gz IYPNTBDOYAXZQT-JOYOIKCWSA-N 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/nfs/dbraw/zinc/72/21/58/519722158.db2.gz FNBHOGRVFHVGHC-QGZVFWFLSA-N 1 1 289.467 2.581 10 0 CFAEMO CC(C)[NH2+]C[C@H]1CC[C@H](CN2Cc3ccccc3C2)O1 ZINC000052374518 519725650 /nfs/dbraw/zinc/72/56/50/519725650.db2.gz FXKYJTQOZPEGKJ-IAGOWNOFSA-N 1 1 274.408 2.548 10 0 CFAEMO CC(C)[NH2+]Cc1ccc(CN2CCOC(C)(C)C2)cc1 ZINC000052481876 519726775 /nfs/dbraw/zinc/72/67/75/519726775.db2.gz IASQDQDIRQDSMZ-UHFFFAOYSA-N 1 1 276.424 2.795 10 0 CFAEMO CC(C)C[NH2+]C[C@@H]1CC[C@H](CN(C)Cc2ccco2)O1 ZINC000052456893 519745147 /nfs/dbraw/zinc/74/51/47/519745147.db2.gz VVINHEDLNDVIKU-GOEBONIOSA-N 1 1 280.412 2.505 10 0 CFAEMO CC(C)OCC[N@@H+]1CC(C)(C)NC[C@@H]1Cc1ccccc1 ZINC000062706820 519765339 /nfs/dbraw/zinc/76/53/39/519765339.db2.gz UWUHRFUARBLUHZ-KRWDZBQOSA-N 1 1 290.451 2.707 10 0 CFAEMO CC(C)OCC[N@H+]1CC(C)(C)NC[C@@H]1Cc1ccccc1 ZINC000062706820 519765340 /nfs/dbraw/zinc/76/53/40/519765340.db2.gz UWUHRFUARBLUHZ-KRWDZBQOSA-N 1 1 290.451 2.707 10 0 CFAEMO CC(C)[C@H](C[NH+](C)C)NCc1cnn(-c2ccccc2)c1 ZINC000049195388 519814683 /nfs/dbraw/zinc/81/46/83/519814683.db2.gz ZYPHWFYOXGOJOJ-KRWDZBQOSA-N 1 1 286.423 2.548 10 0 CFAEMO CC(C)[C@H](CN(C)C)[NH2+]Cc1nc2ccccc2s1 ZINC000049204106 519814688 /nfs/dbraw/zinc/81/46/88/519814688.db2.gz XQHBHOSBWIYEAB-ZDUSSCGKSA-N 1 1 277.437 2.972 10 0 CFAEMO CC(C)c1ccc([C@H](O)C[NH2+][C@@H](C)CCN(C)C)cc1 ZINC000049557343 519840095 /nfs/dbraw/zinc/84/00/95/519840095.db2.gz XUNOLCPFHCTPEB-WMLDXEAASA-N 1 1 278.440 2.773 10 0 CFAEMO CC(C)c1ccc([C@H](O)CN[C@@H](C)CC[NH+](C)C)cc1 ZINC000049557343 519840096 /nfs/dbraw/zinc/84/00/96/519840096.db2.gz XUNOLCPFHCTPEB-WMLDXEAASA-N 1 1 278.440 2.773 10 0 CFAEMO CCCNC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000195328577 519891348 /nfs/dbraw/zinc/89/13/48/519891348.db2.gz DBTHTWFWYUFICP-STQMWFEESA-N 1 1 295.452 2.546 10 0 CFAEMO CCCC1CCN(C2(C[NH3+])Cc3ccccc3C2)CC1 ZINC000050893205 519901047 /nfs/dbraw/zinc/90/10/47/519901047.db2.gz UJLNEEMWQANCOO-UHFFFAOYSA-N 1 1 272.436 2.995 10 0 CFAEMO CCC[NH2+]C[C@@H](C(C)C)N(CCOC)[C@@H](C)C1CC1 ZINC000052545255 519920059 /nfs/dbraw/zinc/92/00/59/519920059.db2.gz JMXSQDOUIPWXRT-HOCLYGCPSA-N 1 1 270.461 2.758 10 0 CFAEMO CCC[NH2+]C[C@@H](C)CN(C)Cc1ccc(F)cc1 ZINC000052346136 519920067 /nfs/dbraw/zinc/92/00/67/519920067.db2.gz MQUOVPQZQOFVCV-CYBMUJFWSA-N 1 1 252.377 2.893 10 0 CFAEMO CCCNCc1cc(C[N@H+](C)C[C@H](C)CC)on1 ZINC000052454090 519943932 /nfs/dbraw/zinc/94/39/32/519943932.db2.gz BXCQRKUIWKAUEN-GFCCVEGCSA-N 1 1 253.390 2.652 10 0 CFAEMO CCCNCc1cc(C[N@@H+](C)C[C@H](C)CC)on1 ZINC000052454090 519943935 /nfs/dbraw/zinc/94/39/35/519943935.db2.gz BXCQRKUIWKAUEN-GFCCVEGCSA-N 1 1 253.390 2.652 10 0 CFAEMO CCC[NH2+]Cc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000052380773 519950834 /nfs/dbraw/zinc/95/08/34/519950834.db2.gz CZTNKDFJDWORFM-GJZGRUSLSA-N 1 1 276.424 2.795 10 0 CFAEMO CCC[NH2+][C@](C)(CCCOC1CCC1)C(=O)OCC ZINC000050521664 520104956 /nfs/dbraw/zinc/10/49/56/520104956.db2.gz JHKWVGUCHUTMJY-OAHLLOKOSA-N 1 1 271.401 2.657 10 0 CFAEMO CC[NH2+][C@@H](c1nnc(-c2ccncc2)o1)c1ccccc1 ZINC000050618161 520113976 /nfs/dbraw/zinc/11/39/76/520113976.db2.gz KNYIXFJJYNPIIY-CQSZACIVSA-N 1 1 280.331 2.831 10 0 CFAEMO CCCNc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC)C2)cc1 ZINC000050777721 520150274 /nfs/dbraw/zinc/15/02/74/520150274.db2.gz FTJMTVGGSLNUFS-INIZCTEOSA-N 1 1 289.423 2.723 10 0 CFAEMO CCCCC[N@@H+](CC1(CO)CCOCC1)C(C)C ZINC000052199724 520159651 /nfs/dbraw/zinc/15/96/51/520159651.db2.gz PYHOGYPDCUHPOP-UHFFFAOYSA-N 1 1 257.418 2.676 10 0 CFAEMO CCCNc1nc(N2CCCCC2)[nH+]c2c1CCC2 ZINC000050848145 520188628 /nfs/dbraw/zinc/18/86/28/520188628.db2.gz QLCFGQLJSNRVNJ-UHFFFAOYSA-N 1 1 260.385 2.778 10 0 CFAEMO CC[NH2+][C@H](c1nnc(-c2cnoc2C)o1)c1ccccc1 ZINC000050618074 520212022 /nfs/dbraw/zinc/21/20/22/520212022.db2.gz RLBBOIUPEUDGHO-ZDUSSCGKSA-N 1 1 284.319 2.732 10 0 CFAEMO CCN(C)c1ccc(C[NH2+][C@@H]2COc3ccccc32)cn1 ZINC000190959984 520282399 /nfs/dbraw/zinc/28/23/99/520282399.db2.gz XQFGAGPABRHKPC-OAHLLOKOSA-N 1 1 283.375 2.761 10 0 CFAEMO CCNc1nc2ccccc2cc1C[N@@H+](CCO)C1CC1 ZINC000050817997 520359634 /nfs/dbraw/zinc/35/96/34/520359634.db2.gz GLBCWNBCAFEYOX-UHFFFAOYSA-N 1 1 285.391 2.623 10 0 CFAEMO CCNc1ncccc1C[N@@H+](CC)C[C@@H]1CCCO1 ZINC000052724642 520375674 /nfs/dbraw/zinc/37/56/74/520375674.db2.gz AVPUXOBSMYULCB-AWEZNQCLSA-N 1 1 263.385 2.514 10 0 CFAEMO CC1(C)CC[NH+](C[C@H](N)c2ccc3c(c2)OCO3)CC1 ZINC000061819655 520380713 /nfs/dbraw/zinc/38/07/13/520380713.db2.gz SLCILTACTJCEQS-ZDUSSCGKSA-N 1 1 276.380 2.537 10 0 CFAEMO CCO[C@H]1CCC[N@@H+]([C@@H](CN)c2ccccc2CC)C1 ZINC000052203811 520527165 /nfs/dbraw/zinc/52/71/65/520527165.db2.gz UNNOVLWWBBQRCV-RDJZCZTQSA-N 1 1 276.424 2.750 10 0 CFAEMO CCO[C@H]1CCC[N@H+]([C@@H](CN)c2ccccc2CC)C1 ZINC000052203811 520527175 /nfs/dbraw/zinc/52/71/75/520527175.db2.gz UNNOVLWWBBQRCV-RDJZCZTQSA-N 1 1 276.424 2.750 10 0 CFAEMO CCCC[N@H+](CCn1cc(CNCCC)nn1)[C@@H](C)CC ZINC000052372711 520541751 /nfs/dbraw/zinc/54/17/51/520541751.db2.gz SBJDUEIFQLPURY-HNNXBMFYSA-N 1 1 295.475 2.678 10 0 CFAEMO CCCC[N@@H+](CCn1cc(CNCCC)nn1)[C@@H](C)CC ZINC000052372711 520541757 /nfs/dbraw/zinc/54/17/57/520541757.db2.gz SBJDUEIFQLPURY-HNNXBMFYSA-N 1 1 295.475 2.678 10 0 CFAEMO CCCC[N@H+](Cc1nnsc1NC)[C@@H](C)CC ZINC000050818146 520550521 /nfs/dbraw/zinc/55/05/21/520550521.db2.gz QSAAMFRVGWGFGW-JTQLQIEISA-N 1 1 256.419 2.980 10 0 CFAEMO CCCC[N@@H+](Cc1nnsc1NC)[C@@H](C)CC ZINC000050818146 520550524 /nfs/dbraw/zinc/55/05/24/520550524.db2.gz QSAAMFRVGWGFGW-JTQLQIEISA-N 1 1 256.419 2.980 10 0 CFAEMO CCn1ccnc1N[C@H](C)CCC[NH+](CC)CC ZINC000050608301 520631535 /nfs/dbraw/zinc/63/15/35/520631535.db2.gz RLRTVQCQPARDOI-CYBMUJFWSA-N 1 1 252.406 2.825 10 0 CFAEMO CC[N@H+](CC1CC1)[C@@H](c1ccccc1OC)[C@@H](C)N ZINC000069237002 520966586 /nfs/dbraw/zinc/96/65/86/520966586.db2.gz VEKHANRCKTXOAQ-MLGOLLRUSA-N 1 1 262.397 2.815 10 0 CFAEMO CCC[C@H](C)CC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195368782 521012060 /nfs/dbraw/zinc/01/20/60/521012060.db2.gz YHFXPHAPFIABIG-UONOGXRCSA-N 1 1 252.402 2.509 10 0 CFAEMO CCCC[C@@](CC)(CN)[N@@H+](C)CC1CCOCC1 ZINC000069381249 521120583 /nfs/dbraw/zinc/12/05/83/521120583.db2.gz OKQDYCYXBRXFBV-HNNXBMFYSA-N 1 1 256.434 2.643 10 0 CFAEMO CC[N@@H+](C[C@@H](N)c1ccc2c(c1)OCCCO2)CC1CC1 ZINC000069238024 521215582 /nfs/dbraw/zinc/21/55/82/521215582.db2.gz YLWPJESDJGLQHA-OAHLLOKOSA-N 1 1 290.407 2.580 10 0 CFAEMO CCN(C[C@@H]([NH3+])c1ccc2c(c1)OCCCO2)CC1CC1 ZINC000069238024 521215593 /nfs/dbraw/zinc/21/55/93/521215593.db2.gz YLWPJESDJGLQHA-OAHLLOKOSA-N 1 1 290.407 2.580 10 0 CFAEMO CCC[C@](C)(C[NH2+]C(C)C)CN(CCOC)C1CC1 ZINC000051253311 521267297 /nfs/dbraw/zinc/26/72/97/521267297.db2.gz UMSLQKFEHLCLKV-MRXNPFEDSA-N 1 1 270.461 2.902 10 0 CFAEMO CCC(C)(C)[N@@H+](C)[C@H](CN)c1ccc2c(c1)OCO2 ZINC000069429931 521308496 /nfs/dbraw/zinc/30/84/96/521308496.db2.gz SBCXSEPFFNFUSW-GFCCVEGCSA-N 1 1 264.369 2.536 10 0 CFAEMO CCC(C)(C)N(C)[C@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000069429931 521308506 /nfs/dbraw/zinc/30/85/06/521308506.db2.gz SBCXSEPFFNFUSW-GFCCVEGCSA-N 1 1 264.369 2.536 10 0 CFAEMO CCC(C)(C)[N@@H+](C)[C@H](C)C(=O)Nc1ccc(OC)cc1N ZINC000069428706 521308605 /nfs/dbraw/zinc/30/86/05/521308605.db2.gz SYBNOICYXHBKFX-LLVKDONJSA-N 1 1 293.411 2.725 10 0 CFAEMO CC[N@@H+](Cc1cccnc1C(N)=S)C1CCCCC1 ZINC000061659655 521398639 /nfs/dbraw/zinc/39/86/39/521398639.db2.gz ZKEBTXACMQEMBT-UHFFFAOYSA-N 1 1 277.437 2.870 10 0 CFAEMO CCC(CC)(CO)C[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000051291927 521445719 /nfs/dbraw/zinc/44/57/19/521445719.db2.gz KTUBRPPQQNGAPK-QGZVFWFLSA-N 1 1 290.451 2.774 10 0 CFAEMO CC[N@@H+]([C@@H](C)COC)C1(CN)CCC(C(C)C)CC1 ZINC000054557155 521472596 /nfs/dbraw/zinc/47/25/96/521472596.db2.gz CJGAWUPJTYOMDE-FHERZECASA-N 1 1 270.461 2.887 10 0 CFAEMO CCN([C@@H](C)COC)C1(C[NH3+])CCC(C(C)C)CC1 ZINC000054557155 521472600 /nfs/dbraw/zinc/47/26/00/521472600.db2.gz CJGAWUPJTYOMDE-FHERZECASA-N 1 1 270.461 2.887 10 0 CFAEMO CCCc1nc(C[N@H+]2CCC[C@@H]2CCCO)cs1 ZINC000052762927 521509196 /nfs/dbraw/zinc/50/91/96/521509196.db2.gz RYWYTFDUMAPANI-CYBMUJFWSA-N 1 1 268.426 2.833 10 0 CFAEMO CC[N@H+]1CCC[C@@H](Nc2ncnc3c(C)csc32)C1 ZINC000191136481 521626488 /nfs/dbraw/zinc/62/64/88/521626488.db2.gz DEZJKXLOGCIIDF-LLVKDONJSA-N 1 1 276.409 2.896 10 0 CFAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)c1cccc(F)c1 ZINC000245439016 521631896 /nfs/dbraw/zinc/63/18/96/521631896.db2.gz ZAIADSDJMFMIEX-CZUORRHYSA-N 1 1 292.398 2.872 10 0 CFAEMO CC[N@H+]1CCC[C@H](NC(=O)[C@@H](SC)c2ccccc2)C1 ZINC000246262811 521647456 /nfs/dbraw/zinc/64/74/56/521647456.db2.gz ZATWTSKZHLVPQT-GJZGRUSLSA-N 1 1 292.448 2.691 10 0 CFAEMO CCC[NH+](CCC)Cc1cc(CNC(C)C)no1 ZINC000052416769 521648809 /nfs/dbraw/zinc/64/88/09/521648809.db2.gz WIBDNSYONXONTI-UHFFFAOYSA-N 1 1 253.390 2.795 10 0 CFAEMO CC[N@H+]1CCC[C@H](Nc2ccc3cc(N)ccc3n2)C1 ZINC000049193227 521649918 /nfs/dbraw/zinc/64/99/18/521649918.db2.gz RVZAWMHQPWOATO-AWEZNQCLSA-N 1 1 270.380 2.713 10 0 CFAEMO CC[N@H+]1CCC[C@H](Nc2ncnc3c(C)csc32)C1 ZINC000191136456 521651129 /nfs/dbraw/zinc/65/11/29/521651129.db2.gz DEZJKXLOGCIIDF-NSHDSACASA-N 1 1 276.409 2.896 10 0 CFAEMO CCC[N@H+](Cc1cnn(C)c1)C1(CN)CCCCCC1 ZINC000050539269 521692283 /nfs/dbraw/zinc/69/22/83/521692283.db2.gz FIUINSWJEWHBLY-UHFFFAOYSA-N 1 1 278.444 2.684 10 0 CFAEMO CCC[N@@H+](Cc1cnn(C)c1)C1(CN)CCCCCC1 ZINC000050539269 521692284 /nfs/dbraw/zinc/69/22/84/521692284.db2.gz FIUINSWJEWHBLY-UHFFFAOYSA-N 1 1 278.444 2.684 10 0 CFAEMO CCSCC[C@H](C)[N@H+](C)Cc1nnc(C)n1CC ZINC000174032890 521715141 /nfs/dbraw/zinc/71/51/41/521715141.db2.gz BLNXBHTZZZYOHT-NSHDSACASA-N 1 1 270.446 2.570 10 0 CFAEMO CCSCC[C@H](C)[N@@H+](C)Cc1nnc(C)n1CC ZINC000174032890 521715143 /nfs/dbraw/zinc/71/51/43/521715143.db2.gz BLNXBHTZZZYOHT-NSHDSACASA-N 1 1 270.446 2.570 10 0 CFAEMO CC[N@@H+]1C[C@H](CC(C)C)NC[C@@H]1Cc1ccccc1 ZINC000062657540 521729879 /nfs/dbraw/zinc/72/98/79/521729879.db2.gz FHVUEYDMZOBPPK-IRXDYDNUSA-N 1 1 260.425 2.938 10 0 CFAEMO CC[N@H+]1C[C@H](CC(C)C)NC[C@@H]1Cc1ccccc1 ZINC000062657540 521729880 /nfs/dbraw/zinc/72/98/80/521729880.db2.gz FHVUEYDMZOBPPK-IRXDYDNUSA-N 1 1 260.425 2.938 10 0 CFAEMO CCc1ccccc1NC(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000051112172 521906958 /nfs/dbraw/zinc/90/69/58/521906958.db2.gz PYOKNNPWNSROAI-UHFFFAOYSA-N 1 1 290.754 2.835 10 0 CFAEMO CCc1ccccc1[C@H](CN)[N@H+](C)CCc1ccccn1 ZINC000052203405 521951959 /nfs/dbraw/zinc/95/19/59/521951959.db2.gz DKRYTHSZRYOUDH-SFHVURJKSA-N 1 1 283.419 2.818 10 0 CFAEMO CCc1ccccc1[C@H](CN)[N@@H+](C)CCc1ccccn1 ZINC000052203405 521951967 /nfs/dbraw/zinc/95/19/67/521951967.db2.gz DKRYTHSZRYOUDH-SFHVURJKSA-N 1 1 283.419 2.818 10 0 CFAEMO CCc1ccccc1[C@H](CN)[N@@H+](CCOC)CC(C)C ZINC000052203793 521952813 /nfs/dbraw/zinc/95/28/13/521952813.db2.gz XHEREUHOEIGZIG-KRWDZBQOSA-N 1 1 278.440 2.853 10 0 CFAEMO CCc1ccccc1[C@H](C[NH3+])N(CCOC)CC(C)C ZINC000052203793 521952824 /nfs/dbraw/zinc/95/28/24/521952824.db2.gz XHEREUHOEIGZIG-KRWDZBQOSA-N 1 1 278.440 2.853 10 0 CFAEMO CC[C@@H](C)C[N@@H+](C)Cc1nc2sccc2c(N)n1 ZINC000050813218 521972237 /nfs/dbraw/zinc/97/22/37/521972237.db2.gz XXZYSOZMVCPWSP-SECBINFHSA-N 1 1 264.398 2.751 10 0 CFAEMO COc1cc(C)c(C[N@H+]2CCC[C@@H]2CCCO)cc1OC ZINC000070144440 522191273 /nfs/dbraw/zinc/19/12/73/522191273.db2.gz WMRIKTCRDZIMKO-OAHLLOKOSA-N 1 1 293.407 2.749 10 0 CFAEMO CCc1[nH+]ccn1Cc1cc2ccccc2nc1N ZINC000050830060 522586180 /nfs/dbraw/zinc/58/61/80/522586180.db2.gz QQJFJHUEEJSYFX-UHFFFAOYSA-N 1 1 252.321 2.624 10 0 CFAEMO CNc1nc(C[N@@H+](C)C(C)C)nc2sccc21 ZINC000050792608 522681460 /nfs/dbraw/zinc/68/14/60/522681460.db2.gz XBFIKMRPAIOHSU-UHFFFAOYSA-N 1 1 250.371 2.573 10 0 CFAEMO CCc1nnc(C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)n1C ZINC000172281938 522729079 /nfs/dbraw/zinc/72/90/79/522729079.db2.gz ZCCYGEPLMISXCT-INIZCTEOSA-N 1 1 274.412 2.700 10 0 CFAEMO CCc1nnc(C[N@H+]2CCC[C@@]3(CC=CCC3)C2)n1C ZINC000172281938 522729093 /nfs/dbraw/zinc/72/90/93/522729093.db2.gz ZCCYGEPLMISXCT-INIZCTEOSA-N 1 1 274.412 2.700 10 0 CFAEMO COc1cc(NCC[C@@H]2CCCC[N@H+]2C)cc(OC)c1 ZINC000052205256 522742217 /nfs/dbraw/zinc/74/22/17/522742217.db2.gz FUZHAWYXDDSSIJ-AWEZNQCLSA-N 1 1 278.396 2.990 10 0 CFAEMO 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ZINC000173822654 529404922 /nfs/dbraw/zinc/40/49/22/529404922.db2.gz WTFWGJRFYJSPEM-HUUCEWRRSA-N 1 1 281.444 2.691 10 0 CFAEMO C[N@H+](Cc1cc(F)ccc1Cl)CC1CC(O)C1 ZINC000125570160 187191130 /nfs/dbraw/zinc/19/11/30/187191130.db2.gz UTNLIVKPTUECGB-UHFFFAOYSA-N 1 1 257.736 2.682 10 0 CFAEMO Cc1ncsc1C[NH2+][C@H]1CC(=O)N(C)c2ccccc21 ZINC000071212954 282234847 /nfs/dbraw/zinc/23/48/47/282234847.db2.gz UNEIVLYNZBYSOU-LBPRGKRZSA-N 1 1 287.388 2.649 10 0 CFAEMO C[C@@H]1COC[C@@H](C)[NH+]1CCCC(=O)c1ccccc1 ZINC000295029093 199309200 /nfs/dbraw/zinc/30/92/00/199309200.db2.gz MUKSTMNJJRKEIC-ZIAGYGMSSA-N 1 1 261.365 2.759 10 0 CFAEMO CC(C)[C@H]1C[N@H+](C[C@H]2CCCCC2(F)F)CCN1 ZINC000394495743 539456465 /nfs/dbraw/zinc/45/64/65/539456465.db2.gz HDIDNCBWWDYADZ-CHWSQXEVSA-N 1 1 260.372 2.742 10 0 CFAEMO CC(C)[C@H]1C[N@@H+](C[C@H]2CCCCC2(F)F)CCN1 ZINC000394495743 539456470 /nfs/dbraw/zinc/45/64/70/539456470.db2.gz HDIDNCBWWDYADZ-CHWSQXEVSA-N 1 1 260.372 2.742 10 0 CFAEMO CC[C@H](C)[N@@H+](CC)C[C@@H](O)COCc1ccccc1 ZINC000226659932 539528210 /nfs/dbraw/zinc/52/82/10/539528210.db2.gz VHGKODRGFWKHHP-GOEBONIOSA-N 1 1 265.397 2.685 10 0 CFAEMO C[N@H+]1CC[C@H]2[C@H](NC(=O)c3ccc(F)cc3)CCC[C@@H]2C1 ZINC000001841639 346205976 /nfs/dbraw/zinc/20/59/76/346205976.db2.gz ZXUXBBXHJDRZIY-FVQBIDKESA-N 1 1 290.382 2.676 10 0 CFAEMO COc1ccc([C@H](C)[NH2+]Cc2ccnc(C)n2)cc1OC ZINC000038037477 346336604 /nfs/dbraw/zinc/33/66/04/346336604.db2.gz YSQWCWHZMUEMDA-NSHDSACASA-N 1 1 287.363 2.653 10 0 CFAEMO [NH3+][C@H]1c2cc(F)ccc2N(Cc2ccc(F)cc2)C1=O ZINC000100236555 185708788 /nfs/dbraw/zinc/70/87/88/185708788.db2.gz UBWKPLVYSGPKAY-AWEZNQCLSA-N 1 1 274.270 2.511 10 0 CFAEMO COc1ccccc1/C=C/C[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000128461530 187372579 /nfs/dbraw/zinc/37/25/79/187372579.db2.gz ZHIBRCFFCRSNQX-BIENSFFJSA-N 1 1 297.402 2.931 10 0 CFAEMO C[C@@H](c1ccc[nH]1)[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000095089005 347697694 /nfs/dbraw/zinc/69/76/94/347697694.db2.gz RXKLRUJJSYWTFZ-QWHCGFSZSA-N 1 1 293.411 2.922 10 0 CFAEMO CC(=O)N[C@@]1(c2ccccc2)CCC[N@H+]2CCCC[C@H]21 ZINC000114726700 347774994 /nfs/dbraw/zinc/77/49/94/347774994.db2.gz DNUNTAGDZGGMQR-DLBZAZTESA-N 1 1 272.392 2.666 10 0 CFAEMO C[C@@H](CCN(C)C)[NH2+]Cc1ccnc2ccccc12 ZINC000111728675 347756040 /nfs/dbraw/zinc/75/60/40/347756040.db2.gz WAIMKGMIFPFIMJ-ZDUSSCGKSA-N 1 1 257.381 2.665 10 0 CFAEMO CC[C@@H]1CS[C@@H](c2ccc(Br)cn2)[NH2+]1 ZINC000130061263 347867745 /nfs/dbraw/zinc/86/77/45/347867745.db2.gz AYBQRJLMYRMRNG-SCZZXKLOSA-N 1 1 273.199 2.958 10 0 CFAEMO Cc1ccncc1-c1[nH+]cn(Cc2ccccc2)c1N ZINC000135520346 347907036 /nfs/dbraw/zinc/90/70/36/347907036.db2.gz JLDDCZPOKWAVGG-UHFFFAOYSA-N 1 1 264.332 2.884 10 0 CFAEMO COc1ccc(C[C@H]2[N@@H+](C)CCC(=O)C2(C)C)cc1 ZINC000136776620 347910950 /nfs/dbraw/zinc/91/09/50/347910950.db2.gz FXFCQRVNVWSWKQ-CQSZACIVSA-N 1 1 261.365 2.537 10 0 CFAEMO COc1ccccc1C[C@@H](C)[NH2+][C@H]1CCCN(C)CC1 ZINC000086818726 179347369 /nfs/dbraw/zinc/34/73/69/179347369.db2.gz NVKGHPNIJMKZNI-ZBFHGGJFSA-N 1 1 276.424 2.700 10 0 CFAEMO C[N@H+]1CCC[C@H](Nc2cccc(-n3cccn3)c2)CC1 ZINC000086818415 179347580 /nfs/dbraw/zinc/34/75/80/179347580.db2.gz YGOMCIYESPSOMA-AWEZNQCLSA-N 1 1 270.380 2.769 10 0 CFAEMO CC[N@H+]1CCC[C@H](Nc2cccc(NC(C)=O)c2)CC1 ZINC000086835422 179349718 /nfs/dbraw/zinc/34/97/18/179349718.db2.gz WMIFXKHGFRELSF-AWEZNQCLSA-N 1 1 275.396 2.931 10 0 CFAEMO CC[N@H+]1CCC[C@@H](NC(=O)Nc2cccc3[nH]ccc32)C1 ZINC000171391943 348075918 /nfs/dbraw/zinc/07/59/18/348075918.db2.gz JZRUOPFCPYEDLM-GFCCVEGCSA-N 1 1 286.379 2.774 10 0 CFAEMO COc1cccc(OC)c1C[NH2+]Cc1ccccc1N ZINC000167708518 348045841 /nfs/dbraw/zinc/04/58/41/348045841.db2.gz REXUHVDBWZOAAM-UHFFFAOYSA-N 1 1 272.348 2.576 10 0 CFAEMO [NH3+][C@@H](c1ccc(Br)o1)C1=CCCCO1 ZINC000167803843 348045929 /nfs/dbraw/zinc/04/59/29/348045929.db2.gz IXCNXJUWYCGJHW-SNVBAGLBSA-N 1 1 258.115 2.736 10 0 CFAEMO CC(=O)Nc1ccc(F)c(N[C@@H]2CCC[N@H+](C)CC2)c1 ZINC000086817527 179344437 /nfs/dbraw/zinc/34/44/37/179344437.db2.gz OSXKIJIJQZXZSB-GFCCVEGCSA-N 1 1 279.359 2.680 10 0 CFAEMO CCOC(=O)c1ccc(N[C@@H]2CCC[N@@H+](C)CC2)cc1 ZINC000086817479 179344777 /nfs/dbraw/zinc/34/47/77/179344777.db2.gz XBSFAXCLTLOGIT-CQSZACIVSA-N 1 1 276.380 2.760 10 0 CFAEMO COc1ccc(N[C@H]2CCC[N@@H+](C)CC2)c(OC)c1 ZINC000086817035 179344929 /nfs/dbraw/zinc/34/49/29/179344929.db2.gz ZQDAOIVHLDJOAW-LBPRGKRZSA-N 1 1 264.369 2.600 10 0 CFAEMO C[N@H+]1CCC[C@@H](Nc2ccc(-c3nnco3)cc2)CC1 ZINC000086817402 179345395 /nfs/dbraw/zinc/34/53/95/179345395.db2.gz DNBOTBKVPOOSKJ-CYBMUJFWSA-N 1 1 272.352 2.633 10 0 CFAEMO CCCNC(=O)c1cccc(N[C@@H]2CCC[N@@H+](C)CC2)c1 ZINC000086817599 179346115 /nfs/dbraw/zinc/34/61/15/179346115.db2.gz UVDUDYNQFJYZMF-OAHLLOKOSA-N 1 1 289.423 2.723 10 0 CFAEMO COc1ccc([C@@H](C)N[C@H]2CCC[N@@H+](C)CC2)c(OC)c1 ZINC000086817574 179346119 /nfs/dbraw/zinc/34/61/19/179346119.db2.gz DXGVOERDBDRIPF-KGLIPLIRSA-N 1 1 292.423 2.839 10 0 CFAEMO COc1cccc([C@@H](C)[NH2+][C@H]2CCCN(C)CC2)c1 ZINC000086818652 179347170 /nfs/dbraw/zinc/34/71/70/179347170.db2.gz RMUKWALHHZYZHG-HIFRSBDPSA-N 1 1 262.397 2.830 10 0 CFAEMO CCOC(=O)[C@@]1(Nc2cccc(F)c2)CCC[N@@H+](C)CC1 ZINC000086833317 179350296 /nfs/dbraw/zinc/35/02/96/179350296.db2.gz YKLLCOMNEABZJM-MRXNPFEDSA-N 1 1 294.370 2.655 10 0 CFAEMO CCC[N@H+]1CCC[C@](CC(=O)[O-])([NH+]2CCCCC2)CC1 ZINC000086868513 179360423 /nfs/dbraw/zinc/36/04/23/179360423.db2.gz KEUGXBMYBOKUNN-INIZCTEOSA-N 1 1 282.428 2.582 10 0 CFAEMO CCC[N@H+]1CCC[C@@](CC(=O)[O-])([NH+]2CCCCCC2)CC1 ZINC000086868453 179360614 /nfs/dbraw/zinc/36/06/14/179360614.db2.gz PJRRWTZVXMBANS-QGZVFWFLSA-N 1 1 296.455 2.972 10 0 CFAEMO CCC[N@H+]1CCC[C@@H]([NH+]2CC[C@](CCC)(C(=O)[O-])C2)CC1 ZINC000086869123 179361278 /nfs/dbraw/zinc/36/12/78/179361278.db2.gz VYCUUMAQQOFBSE-WBVHZDCISA-N 1 1 296.455 2.828 10 0 CFAEMO CCC[NH+]1CCC[C@@H]([N@@H+]2CC[C@](CCC)(C(=O)[O-])C2)CC1 ZINC000086869123 179361279 /nfs/dbraw/zinc/36/12/79/179361279.db2.gz VYCUUMAQQOFBSE-WBVHZDCISA-N 1 1 296.455 2.828 10 0 CFAEMO CCC[NH+]1CCC[C@@H]([N@H+]2CC[C@](CCC)(C(=O)[O-])C2)CC1 ZINC000086869123 179361281 /nfs/dbraw/zinc/36/12/81/179361281.db2.gz VYCUUMAQQOFBSE-WBVHZDCISA-N 1 1 296.455 2.828 10 0 CFAEMO CCC[N@H+]1CCC[C@@H]([NH+]2CCCCC[C@@H]2C(=O)[O-])CC1 ZINC000086869325 179363316 /nfs/dbraw/zinc/36/33/16/179363316.db2.gz HBHSJYPJJIINBU-HUUCEWRRSA-N 1 1 282.428 2.580 10 0 CFAEMO CCC[NH+]1CCC[C@@H]([N@@H+]2CCCCC[C@@H]2C(=O)[O-])CC1 ZINC000086869325 179363317 /nfs/dbraw/zinc/36/33/17/179363317.db2.gz HBHSJYPJJIINBU-HUUCEWRRSA-N 1 1 282.428 2.580 10 0 CFAEMO CCC[NH+]1CCC[C@@H]([N@H+]2CCCCC[C@@H]2C(=O)[O-])CC1 ZINC000086869325 179363319 /nfs/dbraw/zinc/36/33/19/179363319.db2.gz HBHSJYPJJIINBU-HUUCEWRRSA-N 1 1 282.428 2.580 10 0 CFAEMO C[C@@H]1C[NH2+][C@@H](C)c2nc(C(F)(F)F)c(Br)n21 ZINC000221252054 348171294 /nfs/dbraw/zinc/17/12/94/348171294.db2.gz FLNZXLXGGKVHPD-UHNVWZDZSA-N 1 1 298.106 2.890 10 0 CFAEMO CC[C@@H]([NH3+])C(=O)c1c(F)ccc(Br)c1F ZINC000233884451 348218381 /nfs/dbraw/zinc/21/83/81/348218381.db2.gz LSKTUJVPUWXGTJ-SSDOTTSWSA-N 1 1 278.096 2.647 10 0 CFAEMO CC1(Nc2cc[nH+]cc2Br)CCOCC1 ZINC000229919209 348203718 /nfs/dbraw/zinc/20/37/18/348203718.db2.gz ITOIRNCKYTVYGP-UHFFFAOYSA-N 1 1 271.158 2.825 10 0 CFAEMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C1CC1 ZINC000253603749 348301861 /nfs/dbraw/zinc/30/18/61/348301861.db2.gz LOJCVJUJPDNHRV-HALDLXJZSA-N 1 1 258.409 2.895 10 0 CFAEMO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C1CC1 ZINC000253603749 348301865 /nfs/dbraw/zinc/30/18/65/348301865.db2.gz LOJCVJUJPDNHRV-HALDLXJZSA-N 1 1 258.409 2.895 10 0 CFAEMO Clc1sc([C@H]2COCC[NH2+]2)cc1Br ZINC000306731054 348391774 /nfs/dbraw/zinc/39/17/74/348391774.db2.gz FVCCWHLRNNULJT-ZCFIWIBFSA-N 1 1 282.590 2.825 10 0 CFAEMO C[C@@H]1CS[C@@H](c2cnn(Cc3ccccc3)c2)[NH2+]1 ZINC000306771634 348392409 /nfs/dbraw/zinc/39/24/09/348392409.db2.gz RNBAEWDPOBJYEO-RISCZKNCSA-N 1 1 259.378 2.655 10 0 CFAEMO Fc1c(Br)cccc1[C@@H]1[NH2+]CCS1 ZINC000307653985 348401349 /nfs/dbraw/zinc/40/13/49/348401349.db2.gz QGRPIPSUBOLEFO-SECBINFHSA-N 1 1 262.147 2.923 10 0 CFAEMO Cc1cc(C)cc(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000313888552 348423835 /nfs/dbraw/zinc/42/38/35/348423835.db2.gz PJPOTNXKTVGNFM-GJZGRUSLSA-N 1 1 263.381 2.791 10 0 CFAEMO C[N@H+](Cc1ccc(Cl)cn1)C[C@H]1CCc2nccn2C1 ZINC000328654113 348441657 /nfs/dbraw/zinc/44/16/57/348441657.db2.gz XEYUSVKAQMZHSF-GFCCVEGCSA-N 1 1 290.798 2.626 10 0 CFAEMO C[C@H](CC[NH2+][C@@H]1CCCC[C@H]1O)N(C)Cc1ccccc1 ZINC000379653243 348522422 /nfs/dbraw/zinc/52/24/22/348522422.db2.gz ZAMPMEHWPHQHBA-KBAYOESNSA-N 1 1 290.451 2.790 10 0 CFAEMO COC(=O)[C@@H]1CCC[N@@H+](CCC(C)(C)C2CC2)C1 ZINC000406092388 348598311 /nfs/dbraw/zinc/59/83/11/348598311.db2.gz DCJPZPPNXIVGHE-GFCCVEGCSA-N 1 1 253.386 2.698 10 0 CFAEMO OC[C@H]1CC[C@H](c2[nH+]cc3c(Cl)nccn32)CC1 ZINC000498035846 348638981 /nfs/dbraw/zinc/63/89/81/348638981.db2.gz KSHYLWKJWLZXSZ-MGCOHNPYSA-N 1 1 265.744 2.649 10 0 CFAEMO CCNc1c(N)c[nH+]c2c(C)cc(F)c(Br)c12 ZINC000584882376 348725853 /nfs/dbraw/zinc/72/58/53/348725853.db2.gz DZGQKOCNQUCOJV-UHFFFAOYSA-N 1 1 298.159 2.881 10 0 CFAEMO O=C(Nc1ccc(C[NH+]2CCC2)c(F)c1)C(F)(F)F ZINC000584591144 348681304 /nfs/dbraw/zinc/68/13/04/348681304.db2.gz KSKNMSCGGKWWJK-UHFFFAOYSA-N 1 1 276.233 2.532 10 0 CFAEMO CCC(=O)O[C@@](C)(c1ccccc1)[C@@H]1CC[N@@H+](C)C1 ZINC000584633895 348697205 /nfs/dbraw/zinc/69/72/05/348697205.db2.gz ROQDDZTTWKUEFP-ZBFHGGJFSA-N 1 1 261.365 2.807 10 0 CFAEMO C[C@@H]([N@@H+](C)C[C@@H](O)CN(C)Cc1ccccc1)C(C)(C)C ZINC000588687703 348791821 /nfs/dbraw/zinc/79/18/21/348791821.db2.gz OBALMXMVJISLFA-WBVHZDCISA-N 1 1 292.467 2.846 10 0 CFAEMO CCc1cnc(CN2C[C@@H]3CCCC[N@@H+]3C[C@H]2CC)o1 ZINC000300404424 539728187 /nfs/dbraw/zinc/72/81/87/539728187.db2.gz XDDLVRWVHIVREZ-KGLIPLIRSA-N 1 1 277.412 2.686 10 0 CFAEMO C[C@@H]1CCN(CCOC2CCCCC2)CC[C@@H](C)[NH2+]1 ZINC000104439112 186001946 /nfs/dbraw/zinc/00/19/46/186001946.db2.gz MQGJBPIURJGYMF-HUUCEWRRSA-N 1 1 268.445 2.798 10 0 CFAEMO 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COc1ccc([C@H]([NH3+])CN2[C@@H](C)CCC[C@@H]2C)c(OC)c1 ZINC000022566297 171391705 /nfs/dbraw/zinc/39/17/05/171391705.db2.gz GHGNDPAREFVQGB-HEHGZKQESA-N 1 1 292.423 2.967 10 0 CFAEMO COc1cccc(C(=O)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000034989294 171914982 /nfs/dbraw/zinc/91/49/82/171914982.db2.gz XTNBELMAGOWNIO-STQMWFEESA-N 1 1 261.365 2.856 10 0 CFAEMO C[NH+](C)CCNCc1cc(Cl)ccc1OC(F)F ZINC000035222827 172066583 /nfs/dbraw/zinc/06/65/83/172066583.db2.gz OHEWEIIBKSSANW-UHFFFAOYSA-N 1 1 278.730 2.593 10 0 CFAEMO C[NH2+][C@H](c1cccnc1)c1c(F)cc(F)cc1F ZINC000035469461 172220102 /nfs/dbraw/zinc/22/01/02/172220102.db2.gz HDBGQKTZBNEKQT-CYBMUJFWSA-N 1 1 252.239 2.808 10 0 CFAEMO C[NH2+][C@H](c1ccc(C)o1)c1ccc(OC)cc1OC ZINC000035488700 172224052 /nfs/dbraw/zinc/22/40/52/172224052.db2.gz MKMXTZPJZFOHAT-HNNXBMFYSA-N 1 1 261.321 2.914 10 0 CFAEMO C[C@H]([NH2+]Cc1cc(C(N)=O)ccc1F)c1cccs1 ZINC000035737068 172390796 /nfs/dbraw/zinc/39/07/96/172390796.db2.gz AZBNIHRMNMEBJN-VIFPVBQESA-N 1 1 278.352 2.837 10 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10 0 CFAEMO COc1nc2sccn2c1C[NH2+][C@@H](C)c1ccccn1 ZINC000037218867 173036947 /nfs/dbraw/zinc/03/69/47/173036947.db2.gz NHHXVKPAYBYEBT-JTQLQIEISA-N 1 1 288.376 2.650 10 0 CFAEMO C[C@H]([NH2+][C@@H]1CCc2ccccc21)[C@@H]1CCCN(C)C1 ZINC000037220961 173039177 /nfs/dbraw/zinc/03/91/77/173039177.db2.gz AHVRXJYOBKLSMB-YSVLISHTSA-N 1 1 258.409 2.994 10 0 CFAEMO C[C@H](NCc1cccc(F)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000037221929 173041364 /nfs/dbraw/zinc/04/13/64/173041364.db2.gz NVFKUCIVSKYEOY-GXTWGEPZSA-N 1 1 250.361 2.646 10 0 CFAEMO C[C@H](NCc1cccc(F)c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000037221929 173041367 /nfs/dbraw/zinc/04/13/67/173041367.db2.gz NVFKUCIVSKYEOY-GXTWGEPZSA-N 1 1 250.361 2.646 10 0 CFAEMO CC[C@@H](C)[N@@H+](CC)CC(=O)Nc1ccc(C)c(N)c1 ZINC000037273485 173085081 /nfs/dbraw/zinc/08/50/81/173085081.db2.gz OINMOEVIKRLCIF-GFCCVEGCSA-N 1 1 263.385 2.636 10 0 CFAEMO CCC[N@@H+](CC)CC(=O)Nc1cc(N)ccc1Cl ZINC000037273288 173085273 /nfs/dbraw/zinc/08/52/73/173085273.db2.gz JZZZYONQXJGALW-UHFFFAOYSA-N 1 1 269.776 2.593 10 0 CFAEMO CC(C)[C@H]([NH2+][C@H](C)c1nncn1C)c1cccs1 ZINC000037293682 173097680 /nfs/dbraw/zinc/09/76/80/173097680.db2.gz RFONPWVELQMTER-PWSUYJOCSA-N 1 1 264.398 2.925 10 0 CFAEMO CC[C@H]1CCC[N@H+](CC(=O)c2ccc(OC)cc2)C1 ZINC000037339588 173140483 /nfs/dbraw/zinc/14/04/83/173140483.db2.gz ODTXLVMHGWQTLJ-ZDUSSCGKSA-N 1 1 261.365 3.000 10 0 CFAEMO CC[C@H]1CCC[N@@H+](CC(=O)c2ccc(OC)cc2)C1 ZINC000037339588 173140484 /nfs/dbraw/zinc/14/04/84/173140484.db2.gz ODTXLVMHGWQTLJ-ZDUSSCGKSA-N 1 1 261.365 3.000 10 0 CFAEMO CC[C@@H](C)C[N@@H+](C)[C@@H](CN)c1ccc2c(c1)CCO2 ZINC000037363803 173152736 /nfs/dbraw/zinc/15/27/36/173152736.db2.gz RHEVQHLZDTYPRD-DOMZBBRYSA-N 1 1 262.397 2.599 10 0 CFAEMO CC[C@@H](C)CN(C)[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037363803 173152738 /nfs/dbraw/zinc/15/27/38/173152738.db2.gz RHEVQHLZDTYPRD-DOMZBBRYSA-N 1 1 262.397 2.599 10 0 CFAEMO Nc1cc(C[N@H+]2CCCC[C@H]2CCO)ccc1Cl ZINC000037402458 173179071 /nfs/dbraw/zinc/17/90/71/173179071.db2.gz XIINKIXNMATHNR-LBPRGKRZSA-N 1 1 268.788 2.659 10 0 CFAEMO COC(=O)[C@]1([NH2+]C2CC2)CCCC[C@H]1C(C)(C)C ZINC000037513929 173245744 /nfs/dbraw/zinc/24/57/44/173245744.db2.gz HAAGALZUDSOBIW-WFASDCNBSA-N 1 1 253.386 2.887 10 0 CFAEMO CCOC(=O)C[NH2+]C1CCC(c2ccccc2)CC1 ZINC000037563491 173511185 /nfs/dbraw/zinc/51/11/85/173511185.db2.gz GLSIVKRAODUOJA-UHFFFAOYSA-N 1 1 261.365 2.866 10 0 CFAEMO COc1ccccc1C[C@](C)(CN)[NH+]1CCC(C)CC1 ZINC000037734848 173654310 /nfs/dbraw/zinc/65/43/10/173654310.db2.gz IABLRCBZHWZADX-QGZVFWFLSA-N 1 1 276.424 2.687 10 0 CFAEMO CC(C)=CCN1CCC([NH2+]C[C@H](C)N2CCCCC2)CC1 ZINC000038029076 174018551 /nfs/dbraw/zinc/01/85/51/174018551.db2.gz FSLPSLKCLOHSJS-KRWDZBQOSA-N 1 1 293.499 2.881 10 0 CFAEMO CC[C@H](C)[NH2+][C@@H](C(N)=O)c1c(Cl)cccc1Cl ZINC000038064999 174075365 /nfs/dbraw/zinc/07/53/65/174075365.db2.gz VFKLJXDHEASYQC-WRWORJQWSA-N 1 1 275.179 2.908 10 0 CFAEMO CCOC(=O)[C@](C)(CC(C)(C)OC)[NH2+][C@H](C)CC ZINC000038067524 174079379 /nfs/dbraw/zinc/07/93/79/174079379.db2.gz XTWBGAPZJXVIAU-RISCZKNCSA-N 1 1 259.390 2.511 10 0 CFAEMO CC[C@H]([NH2+][C@@H]1CCNC1=O)c1ccc(Cl)cc1Cl ZINC000656677218 414632961 /nfs/dbraw/zinc/63/29/61/414632961.db2.gz SCAZEACDBZDSFC-NWDGAFQWSA-N 1 1 287.190 2.923 10 0 CFAEMO CC(C)C[N@H+]1CCO[C@@H](CSc2ccc(O)cc2)C1 ZINC000038079077 174088997 /nfs/dbraw/zinc/08/89/97/174088997.db2.gz LHZNBWVFNWRUPV-CQSZACIVSA-N 1 1 281.421 2.841 10 0 CFAEMO O=C1CCC[C@]1(CC[NH+]1CCOCC1)C1=CCCC1 ZINC000038600699 174149478 /nfs/dbraw/zinc/14/94/78/174149478.db2.gz KUOYUNPLUMKQIF-INIZCTEOSA-N 1 1 263.381 2.558 10 0 in-man CFAEMO O[C@H](Cc1[nH]cc[nH+]1)c1cc(Cl)cc(Cl)c1 ZINC000040261514 174217236 /nfs/dbraw/zinc/21/72/36/174217236.db2.gz SKBQTHXQBLBVHA-SNVBAGLBSA-N 1 1 257.120 2.993 10 0 CFAEMO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cc[nH]n2)cc1OC ZINC000040491021 174292465 /nfs/dbraw/zinc/29/24/65/174292465.db2.gz HPHGFMOPWDTUEO-QWRGUYRKSA-N 1 1 275.352 2.839 10 0 CFAEMO CC[N@@H+]1CCC[C@H](N[C@@H](C)c2ccccc2F)C1 ZINC000040502193 174298462 /nfs/dbraw/zinc/29/84/62/174298462.db2.gz UVSDNCLRGJUJMH-STQMWFEESA-N 1 1 250.361 2.961 10 0 CFAEMO CC[N@H+]1CCC[C@H](N[C@@H](C)c2ccccc2F)C1 ZINC000040502193 174298463 /nfs/dbraw/zinc/29/84/63/174298463.db2.gz UVSDNCLRGJUJMH-STQMWFEESA-N 1 1 250.361 2.961 10 0 CFAEMO CC[N@@H+]1CCC[C@@H](NCc2cc3c(c(Cl)c2)OCO3)C1 ZINC000040502596 174299141 /nfs/dbraw/zinc/29/91/41/174299141.db2.gz WNSYGJUPPWXIAE-GFCCVEGCSA-N 1 1 296.798 2.643 10 0 CFAEMO CC[N@H+]1CCC[C@@H](NCc2cc3c(c(Cl)c2)OCO3)C1 ZINC000040502596 174299143 /nfs/dbraw/zinc/29/91/43/174299143.db2.gz WNSYGJUPPWXIAE-GFCCVEGCSA-N 1 1 296.798 2.643 10 0 CFAEMO CC[N@@H+]1CCC[C@@H](N[C@@H](C)c2cc(OC)ccc2OC)C1 ZINC000040502250 174299336 /nfs/dbraw/zinc/29/93/36/174299336.db2.gz LNVTTXUGEJXVHY-UONOGXRCSA-N 1 1 292.423 2.839 10 0 CFAEMO CC[N@H+]1CCC[C@@H](N[C@@H](C)c2cc(OC)ccc2OC)C1 ZINC000040502250 174299337 /nfs/dbraw/zinc/29/93/37/174299337.db2.gz LNVTTXUGEJXVHY-UONOGXRCSA-N 1 1 292.423 2.839 10 0 CFAEMO CCOc1cccc(CN[C@@H]2CCC[N@H+](CC)C2)c1OC ZINC000040502806 174299365 /nfs/dbraw/zinc/29/93/65/174299365.db2.gz YJUORSARFNNYNF-OAHLLOKOSA-N 1 1 292.423 2.668 10 0 CFAEMO CCOc1cccc(CN[C@@H]2CCC[N@@H+](CC)C2)c1OC ZINC000040502806 174299366 /nfs/dbraw/zinc/29/93/66/174299366.db2.gz YJUORSARFNNYNF-OAHLLOKOSA-N 1 1 292.423 2.668 10 0 CFAEMO CC[N@H+]1CCC[C@H](Nc2ccc(C(F)(F)F)cn2)C1 ZINC000040503239 174300057 /nfs/dbraw/zinc/30/00/57/174300057.db2.gz ALXXASLLHIGREK-NSHDSACASA-N 1 1 273.302 2.997 10 0 CFAEMO CC[N@H+]1CCC[C@@H](Nc2ncnc3ccsc32)C1 ZINC000040503280 174300195 /nfs/dbraw/zinc/30/01/95/174300195.db2.gz OSFSCRUPJFFYLV-SNVBAGLBSA-N 1 1 262.382 2.588 10 0 CFAEMO CC(C)[N@H+]1CC[C@H](CN[C@@H]2CCOc3ccccc32)C1 ZINC000040622099 174354881 /nfs/dbraw/zinc/35/48/81/174354881.db2.gz ZXOLZMUQFIORRN-GDBMZVCRSA-N 1 1 274.408 2.830 10 0 CFAEMO Cc1nc([C@@H](C)NC[C@@H]2CC[N@H+](C(C)C)C2)cs1 ZINC000040622857 174356105 /nfs/dbraw/zinc/35/61/05/174356105.db2.gz LDYRPKLOJMFKGW-YPMHNXCESA-N 1 1 267.442 2.832 10 0 CFAEMO C[C@@H]1C[N@H+](Cc2cc3ccccc3cc2N)CCO1 ZINC000040638318 174363388 /nfs/dbraw/zinc/36/33/88/174363388.db2.gz BSEONVGZEKRQDC-GFCCVEGCSA-N 1 1 256.349 2.643 10 0 CFAEMO C[C@@H]1C[N@@H+](Cc2cc3ccccc3cc2N)CCO1 ZINC000040638318 174363390 /nfs/dbraw/zinc/36/33/90/174363390.db2.gz BSEONVGZEKRQDC-GFCCVEGCSA-N 1 1 256.349 2.643 10 0 CFAEMO C[C@H]1CC[N@@H+]([C@@H](CN)c2ccc(OC(F)F)cc2)C1 ZINC000040717482 174384889 /nfs/dbraw/zinc/38/48/89/174384889.db2.gz CFRPTEQXONGXJY-GWCFXTLKSA-N 1 1 270.323 2.630 10 0 CFAEMO C[C@H]1CC[N@H+]([C@@H](CN)c2ccc(OC(F)F)cc2)C1 ZINC000040717482 174384890 /nfs/dbraw/zinc/38/48/90/174384890.db2.gz CFRPTEQXONGXJY-GWCFXTLKSA-N 1 1 270.323 2.630 10 0 CFAEMO [NH3+]C1C[C@H]2CC[C@@H](C1)N2CCSc1ccc(F)cc1 ZINC000040750312 174395304 /nfs/dbraw/zinc/39/53/04/174395304.db2.gz JGLOPNAYVVOQJE-AGUYFDCRSA-N 1 1 280.412 2.872 10 0 CFAEMO COc1ccc([C@H](C)[C@H](CN)[NH+](C)C)cc1C(C)C ZINC000041379395 174538262 /nfs/dbraw/zinc/53/82/62/174538262.db2.gz KSPSLOPNXKIDDN-WFASDCNBSA-N 1 1 264.413 2.811 10 0 CFAEMO CC(C)[N@@H+](CC1CC1)C1(CN)Cc2ccccc2C1 ZINC000042580207 174804457 /nfs/dbraw/zinc/80/44/57/174804457.db2.gz STTFSPNKBDLZBV-UHFFFAOYSA-N 1 1 258.409 2.603 10 0 CFAEMO CCC(CC)[N@@H+](CCOC)Cc1ccc(C(N)=S)cc1 ZINC000042679784 174834336 /nfs/dbraw/zinc/83/43/36/174834336.db2.gz SGIDIUFVHQIRIJ-UHFFFAOYSA-N 1 1 294.464 2.958 10 0 CFAEMO CCOC1CC[NH+]([C@@H](CN)c2cccc(C)c2C)CC1 ZINC000043314748 175004741 /nfs/dbraw/zinc/00/47/41/175004741.db2.gz CVMWOISOMXVYIT-KRWDZBQOSA-N 1 1 276.424 2.804 10 0 CFAEMO CC(C)[C@@H]([NH2+][C@@H]1CCCNC1)c1ccc(F)cc1 ZINC000043326144 175007578 /nfs/dbraw/zinc/00/75/78/175007578.db2.gz MZPLUGXARJKTLU-HUUCEWRRSA-N 1 1 250.361 2.864 10 0 CFAEMO COc1ccc2nc(S[C@@H](C[NH3+])c3ccco3)[nH]c2c1 ZINC000043338215 175012797 /nfs/dbraw/zinc/01/27/97/175012797.db2.gz YLBYZVOZQZHHGN-ZDUSSCGKSA-N 1 1 289.360 2.957 10 0 CFAEMO CCC(CC)[N@@H+](CCOC)[C@H](c1ccccn1)[C@H](N)CC ZINC000043341025 175015168 /nfs/dbraw/zinc/01/51/68/175015168.db2.gz FRACWHZVUBZZKS-WBVHZDCISA-N 1 1 293.455 2.997 10 0 CFAEMO CCC(CC)[N@H+](CCOC)[C@H](c1ccccn1)[C@H](N)CC ZINC000043341025 175015169 /nfs/dbraw/zinc/01/51/69/175015169.db2.gz FRACWHZVUBZZKS-WBVHZDCISA-N 1 1 293.455 2.997 10 0 CFAEMO C[C@@H](N)[C@H](c1ccncc1)[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000043354720 175022324 /nfs/dbraw/zinc/02/23/24/175022324.db2.gz ZIUSFPNJHASPQX-SJXGUFTOSA-N 1 1 261.413 2.980 10 0 CFAEMO C[C@@H]([NH3+])[C@H](c1ccncc1)N(C)[C@@H]1CCCC[C@@H]1C ZINC000043354720 175022326 /nfs/dbraw/zinc/02/23/26/175022326.db2.gz ZIUSFPNJHASPQX-SJXGUFTOSA-N 1 1 261.413 2.980 10 0 CFAEMO CC[C@@H](N)[C@H](c1ccc(C)o1)[N@H+](CCOC)CC(C)C ZINC000043364973 175025592 /nfs/dbraw/zinc/02/55/92/175025592.db2.gz DEVVVHZRKCOZPP-GDBMZVCRSA-N 1 1 282.428 2.971 10 0 CFAEMO CC[C@@H](N)[C@H](c1ccc(C)o1)[N@@H+](CCOC)CC(C)C ZINC000043364973 175025594 /nfs/dbraw/zinc/02/55/94/175025594.db2.gz DEVVVHZRKCOZPP-GDBMZVCRSA-N 1 1 282.428 2.971 10 0 CFAEMO CC[C@H](N)[C@@H](c1ccc(C)o1)[N@H+](CCO)C1CCCCC1 ZINC000043365194 175026337 /nfs/dbraw/zinc/02/63/37/175026337.db2.gz WNZGOIUKAVKUSL-RDJZCZTQSA-N 1 1 294.439 2.993 10 0 CFAEMO CC[C@H](N)[C@@H](c1ccc(C)o1)[N@@H+](CCO)C1CCCCC1 ZINC000043365194 175026338 /nfs/dbraw/zinc/02/63/38/175026338.db2.gz WNZGOIUKAVKUSL-RDJZCZTQSA-N 1 1 294.439 2.993 10 0 CFAEMO CC[N@H+](C[C@H]1CCCO1)[C@@H](CN)c1cc(C)cc(C)c1 ZINC000043394375 175034668 /nfs/dbraw/zinc/03/46/68/175034668.db2.gz RPAOLVHBFCKZND-SJORKVTESA-N 1 1 276.424 2.804 10 0 CFAEMO CC[N@@H+](C[C@H]1CCCO1)[C@@H](CN)c1cc(C)cc(C)c1 ZINC000043394375 175034670 /nfs/dbraw/zinc/03/46/70/175034670.db2.gz RPAOLVHBFCKZND-SJORKVTESA-N 1 1 276.424 2.804 10 0 CFAEMO Cc1cc(C)cc([C@H](CN)[N@@H+]2CCCSCC2)c1 ZINC000043394320 175035023 /nfs/dbraw/zinc/03/50/23/175035023.db2.gz IPPXNGHVXWEDGP-HNNXBMFYSA-N 1 1 264.438 2.742 10 0 CFAEMO Cc1cc(C)cc([C@H](CN)[N@H+]2CCCSCC2)c1 ZINC000043394320 175035025 /nfs/dbraw/zinc/03/50/25/175035025.db2.gz IPPXNGHVXWEDGP-HNNXBMFYSA-N 1 1 264.438 2.742 10 0 CFAEMO Nc1ccccc1OCCC[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000043423992 175040175 /nfs/dbraw/zinc/04/01/75/175040175.db2.gz HKAJGBZODMDAHI-DOTOQJQBSA-N 1 1 290.407 2.681 10 0 CFAEMO c1cc2c(cc1C[N@H+]1CCO[C@H]3CCC[C@@H]31)CCCN2 ZINC000043428048 175041542 /nfs/dbraw/zinc/04/15/42/175041542.db2.gz JQPRTFVGKOQHPC-IRXDYDNUSA-N 1 1 272.392 2.798 10 0 CFAEMO CC[N@@H+]1CCC[C@@H]1CNCc1ccc(O)c(Cl)c1 ZINC000043476926 175054498 /nfs/dbraw/zinc/05/44/98/175054498.db2.gz PAYGNDKCYVVPJB-GFCCVEGCSA-N 1 1 268.788 2.620 10 0 CFAEMO CC[N@H+]1CCC[C@@H]1CNCc1ccc(O)c(Cl)c1 ZINC000043476926 175054500 /nfs/dbraw/zinc/05/45/00/175054500.db2.gz PAYGNDKCYVVPJB-GFCCVEGCSA-N 1 1 268.788 2.620 10 0 CFAEMO C[C@H](C[C@@H](CN)[N@H+](C)[C@@H]1CCSC1)c1ccccc1 ZINC000043534714 175062951 /nfs/dbraw/zinc/06/29/51/175062951.db2.gz GFYLJXXKCNEABB-BMFZPTHFSA-N 1 1 278.465 2.945 10 0 CFAEMO C[C@H](C[C@@H](CN)[N@@H+](C)[C@@H]1CCSC1)c1ccccc1 ZINC000043534714 175062952 /nfs/dbraw/zinc/06/29/52/175062952.db2.gz GFYLJXXKCNEABB-BMFZPTHFSA-N 1 1 278.465 2.945 10 0 CFAEMO C[C@@H](C[C@H](CN)[N@@H+]1CCCSCC1)c1ccccc1 ZINC000043534898 175062999 /nfs/dbraw/zinc/06/29/99/175062999.db2.gz WDBFETWMCGJHDA-GOEBONIOSA-N 1 1 278.465 2.946 10 0 CFAEMO C[C@@H](C[C@H](CN)[N@H+]1CCCSCC1)c1ccccc1 ZINC000043534898 175063001 /nfs/dbraw/zinc/06/30/01/175063001.db2.gz WDBFETWMCGJHDA-GOEBONIOSA-N 1 1 278.465 2.946 10 0 CFAEMO CC[NH2+][C@@H](c1nccn1C)c1ccc(Cl)cc1OC ZINC000043566193 175066860 /nfs/dbraw/zinc/06/68/60/175066860.db2.gz DZRSOWBODSSRIK-CYBMUJFWSA-N 1 1 279.771 2.781 10 0 CFAEMO C[NH2+][C@@H](c1nccn1C)c1ccc(F)c(C(F)(F)F)c1 ZINC000043567017 175067351 /nfs/dbraw/zinc/06/73/51/175067351.db2.gz WLLWJBRHMAGZSG-LLVKDONJSA-N 1 1 287.260 2.887 10 0 CFAEMO Nc1ccc(N[C@@H]2C[NH+]3CCC2CC3)c(Br)c1 ZINC000043596627 175076554 /nfs/dbraw/zinc/07/65/54/175076554.db2.gz OVEXVCZNTALXBF-CYBMUJFWSA-N 1 1 296.212 2.537 10 0 CFAEMO CCOC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000043619299 175080397 /nfs/dbraw/zinc/08/03/97/175080397.db2.gz ACCYZMDJAYWDGA-NSHDSACASA-N 1 1 269.772 2.971 10 0 CFAEMO CN[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(OC)c1 ZINC000043804626 175107769 /nfs/dbraw/zinc/10/77/69/175107769.db2.gz NBPSIYCDFMKKAU-VBQJREDUSA-N 1 1 276.424 2.934 10 0 CFAEMO CN[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(OC)c1 ZINC000043804626 175107771 /nfs/dbraw/zinc/10/77/71/175107771.db2.gz NBPSIYCDFMKKAU-VBQJREDUSA-N 1 1 276.424 2.934 10 0 CFAEMO CN[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc2c(c1)OCO2 ZINC000043804634 175107839 /nfs/dbraw/zinc/10/78/39/175107839.db2.gz RXYXMVAVKJZWDX-GUTXKFCHSA-N 1 1 290.407 2.654 10 0 CFAEMO CN[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc2c(c1)OCO2 ZINC000043804634 175107840 /nfs/dbraw/zinc/10/78/40/175107840.db2.gz RXYXMVAVKJZWDX-GUTXKFCHSA-N 1 1 290.407 2.654 10 0 CFAEMO CCc1ccc([C@@H]([NH2+]C)[C@@H](C)N2CCN(CC)CC2)cc1 ZINC000043805926 175108096 /nfs/dbraw/zinc/10/80/96/175108096.db2.gz PUVXEEFTMIYPMU-QAPCUYQASA-N 1 1 289.467 2.536 10 0 CFAEMO CC[NH2+][C@H](CN1CCN(CC)CC1)c1ccc(CC)cc1 ZINC000043806094 175108286 /nfs/dbraw/zinc/10/82/86/175108286.db2.gz NIFJOWNRENBGNZ-GOSISDBHSA-N 1 1 289.467 2.537 10 0 CFAEMO CCN[C@@H](C[NH+](CC)CC)c1ccc(OC)c(OC)c1 ZINC000043809371 175109583 /nfs/dbraw/zinc/10/95/83/175109583.db2.gz GVERLBACQIEKTQ-AWEZNQCLSA-N 1 1 280.412 2.696 10 0 CFAEMO CCN[C@H](C[NH+](CC)CC)c1ccc2c(c1)OCCCO2 ZINC000043809354 175109663 /nfs/dbraw/zinc/10/96/63/175109663.db2.gz LLAPJYYKQHBERF-OAHLLOKOSA-N 1 1 292.423 2.840 10 0 CFAEMO CCN[C@@H](C[NH+](CC)CC)c1ccc(OC)cc1OC ZINC000043809174 175109678 /nfs/dbraw/zinc/10/96/78/175109678.db2.gz LDJYJQQZMRKQJB-HNNXBMFYSA-N 1 1 280.412 2.696 10 0 CFAEMO CCC[NH2+][C@@H](CN1CCN(C)CC1)c1ccc(C)cc1C ZINC000043811015 175110078 /nfs/dbraw/zinc/11/00/78/175110078.db2.gz KGMKJEPXXDJGGR-SFHVURJKSA-N 1 1 289.467 2.592 10 0 CFAEMO CN[C@H](C[NH+]1CCCCCC1)c1ccc(OC)c(OC)c1 ZINC000043812094 175111170 /nfs/dbraw/zinc/11/11/70/175111170.db2.gz BJUFEZBOPMREPY-OAHLLOKOSA-N 1 1 292.423 2.840 10 0 CFAEMO CCOc1ccc([C@@H](C[N@H+](C)C(C)C)NC)cc1 ZINC000043813145 175111260 /nfs/dbraw/zinc/11/12/60/175111260.db2.gz BUUULMQTRXJLAN-OAHLLOKOSA-N 1 1 250.386 2.686 10 0 CFAEMO CCOc1ccc([C@@H](C[N@@H+](C)C(C)C)NC)cc1 ZINC000043813145 175111262 /nfs/dbraw/zinc/11/12/62/175111262.db2.gz BUUULMQTRXJLAN-OAHLLOKOSA-N 1 1 250.386 2.686 10 0 CFAEMO CCOc1ccccc1[C@H](C[NH+]1CCCCC1)NC ZINC000043814030 175111600 /nfs/dbraw/zinc/11/16/00/175111600.db2.gz HOYVLTXZRLFUEU-HNNXBMFYSA-N 1 1 262.397 2.832 10 0 CFAEMO CN[C@H]1c2ccc(OC)cc2CC[C@@H]1[NH+]1CCCCC1 ZINC000043814096 175111740 /nfs/dbraw/zinc/11/17/40/175111740.db2.gz SXWLAZDNFXWHHJ-IRXDYDNUSA-N 1 1 274.408 2.756 10 0 CFAEMO CCC[NH2+][C@H](C)CCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000043817819 175113465 /nfs/dbraw/zinc/11/34/65/175113465.db2.gz KPSAMFWNJDGRTE-SJLPKXTDSA-N 1 1 289.467 2.753 10 0 CFAEMO CC[N@H+](C[C@@H](NC)c1ccc(OC)c(OC)c1)C(C)C ZINC000043824222 175114301 /nfs/dbraw/zinc/11/43/01/175114301.db2.gz ITXNNGOQQUHBPQ-CQSZACIVSA-N 1 1 280.412 2.695 10 0 CFAEMO CC[N@@H+](C[C@@H](NC)c1ccc(OC)c(OC)c1)C(C)C ZINC000043824222 175114302 /nfs/dbraw/zinc/11/43/02/175114302.db2.gz ITXNNGOQQUHBPQ-CQSZACIVSA-N 1 1 280.412 2.695 10 0 CFAEMO CC[N@H+](C[C@@H](NC)c1cccc(OC)c1)C(C)C ZINC000043824079 175114741 /nfs/dbraw/zinc/11/47/41/175114741.db2.gz GXZQYOWVZWQQKU-OAHLLOKOSA-N 1 1 250.386 2.686 10 0 CFAEMO CC[N@@H+](C[C@@H](NC)c1cccc(OC)c1)C(C)C ZINC000043824079 175114742 /nfs/dbraw/zinc/11/47/42/175114742.db2.gz GXZQYOWVZWQQKU-OAHLLOKOSA-N 1 1 250.386 2.686 10 0 CFAEMO CN[C@H](C[N@H+](C)C1CCCC1)c1ccc(OC)cc1 ZINC000043883623 175116006 /nfs/dbraw/zinc/11/60/06/175116006.db2.gz ZJKBWPZUDURSNE-MRXNPFEDSA-N 1 1 262.397 2.830 10 0 CFAEMO CN[C@H](C[N@@H+](C)C1CCCC1)c1ccc(OC)cc1 ZINC000043883623 175116008 /nfs/dbraw/zinc/11/60/08/175116008.db2.gz ZJKBWPZUDURSNE-MRXNPFEDSA-N 1 1 262.397 2.830 10 0 CFAEMO CN[C@@H](C[N@H+](C)C1CCCC1)c1ccc2c(c1)OCCO2 ZINC000043883657 175116038 /nfs/dbraw/zinc/11/60/38/175116038.db2.gz PLVSCTJSFNNITL-HNNXBMFYSA-N 1 1 290.407 2.593 10 0 CFAEMO CN[C@@H](C[N@@H+](C)C1CCCC1)c1ccc2c(c1)OCCO2 ZINC000043883657 175116040 /nfs/dbraw/zinc/11/60/40/175116040.db2.gz PLVSCTJSFNNITL-HNNXBMFYSA-N 1 1 290.407 2.593 10 0 CFAEMO CCC[NH2+][C@H]1CCC2(C[C@H]1N(CCC)C(C)C)OCCO2 ZINC000043885287 175116438 /nfs/dbraw/zinc/11/64/38/175116438.db2.gz OMOLUNNVKUHNRP-JKSUJKDBSA-N 1 1 298.471 2.771 10 0 CFAEMO CCC[N@H+](CC)C[C@@H](NC)c1cccc(OC)c1 ZINC000043884351 175116681 /nfs/dbraw/zinc/11/66/81/175116681.db2.gz JZLBHONJZMNISZ-OAHLLOKOSA-N 1 1 250.386 2.688 10 0 CFAEMO CCC[N@@H+](CC)C[C@@H](NC)c1cccc(OC)c1 ZINC000043884351 175116682 /nfs/dbraw/zinc/11/66/82/175116682.db2.gz JZLBHONJZMNISZ-OAHLLOKOSA-N 1 1 250.386 2.688 10 0 CFAEMO CCN[C@@H]1c2ccccc2OC[C@@H]1[N@H+](C)C1CCCC1 ZINC000043884072 175116777 /nfs/dbraw/zinc/11/67/77/175116777.db2.gz DVWDVKPGFBRWKA-DOTOQJQBSA-N 1 1 274.408 2.973 10 0 CFAEMO CCN[C@@H]1c2ccccc2OC[C@@H]1[N@@H+](C)C1CCCC1 ZINC000043884072 175116778 /nfs/dbraw/zinc/11/67/78/175116778.db2.gz DVWDVKPGFBRWKA-DOTOQJQBSA-N 1 1 274.408 2.973 10 0 CFAEMO CCC[N@H+](C)C[C@H](NC)c1ccccc1OCC ZINC000043885923 175116813 /nfs/dbraw/zinc/11/68/13/175116813.db2.gz LIUZQUABFUOHSK-AWEZNQCLSA-N 1 1 250.386 2.688 10 0 CFAEMO CCC[N@@H+](C)C[C@H](NC)c1ccccc1OCC ZINC000043885923 175116814 /nfs/dbraw/zinc/11/68/14/175116814.db2.gz LIUZQUABFUOHSK-AWEZNQCLSA-N 1 1 250.386 2.688 10 0 CFAEMO CCC[N@H+](C)C[C@H](NC)c1cc(C)ccc1OC ZINC000043885941 175116895 /nfs/dbraw/zinc/11/68/95/175116895.db2.gz VWJPDNWTDSANJK-AWEZNQCLSA-N 1 1 250.386 2.606 10 0 CFAEMO CCC[N@@H+](C)C[C@H](NC)c1cc(C)ccc1OC ZINC000043885941 175116897 /nfs/dbraw/zinc/11/68/97/175116897.db2.gz VWJPDNWTDSANJK-AWEZNQCLSA-N 1 1 250.386 2.606 10 0 CFAEMO CCN[C@@H](C[N@H+](C)CC(C)C)c1cccc(OC)c1 ZINC000043886818 175117462 /nfs/dbraw/zinc/11/74/62/175117462.db2.gz HCMKIEXDRZXNNN-INIZCTEOSA-N 1 1 264.413 2.934 10 0 CFAEMO CCN[C@@H](C[N@@H+](C)CC(C)C)c1cccc(OC)c1 ZINC000043886818 175117463 /nfs/dbraw/zinc/11/74/63/175117463.db2.gz HCMKIEXDRZXNNN-INIZCTEOSA-N 1 1 264.413 2.934 10 0 CFAEMO CC[N@@H+](CC(C)C)C[C@H](NC)c1ccc2c(c1)OCO2 ZINC000043887921 175117615 /nfs/dbraw/zinc/11/76/15/175117615.db2.gz DPUNNBGUZGFGSU-AWEZNQCLSA-N 1 1 278.396 2.654 10 0 CFAEMO CCN(CC(C)C)C[C@H]([NH2+]C)c1ccc2c(c1)OCO2 ZINC000043887921 175117616 /nfs/dbraw/zinc/11/76/16/175117616.db2.gz DPUNNBGUZGFGSU-AWEZNQCLSA-N 1 1 278.396 2.654 10 0 CFAEMO CCN[C@@H](C[N@H+](C)[C@@H](C)CC)c1ccc2c(c1)OCO2 ZINC000043887503 175117630 /nfs/dbraw/zinc/11/76/30/175117630.db2.gz IJSQRHJDOYGPJZ-JSGCOSHPSA-N 1 1 278.396 2.796 10 0 CFAEMO CCN[C@@H](C[N@@H+](C)[C@@H](C)CC)c1ccc2c(c1)OCO2 ZINC000043887503 175117632 /nfs/dbraw/zinc/11/76/32/175117632.db2.gz IJSQRHJDOYGPJZ-JSGCOSHPSA-N 1 1 278.396 2.796 10 0 CFAEMO CC[N@H+](C1CCCC1)[C@@H]1COc2ccccc2[C@@H]1NC ZINC000043890587 175118228 /nfs/dbraw/zinc/11/82/28/175118228.db2.gz ARTKRMUGGSQVPJ-WBVHZDCISA-N 1 1 274.408 2.973 10 0 CFAEMO CC[N@@H+](C1CCCC1)[C@@H]1COc2ccccc2[C@@H]1NC ZINC000043890587 175118229 /nfs/dbraw/zinc/11/82/29/175118229.db2.gz ARTKRMUGGSQVPJ-WBVHZDCISA-N 1 1 274.408 2.973 10 0 CFAEMO CCC[NH2+][C@H]1CCC2(C[C@@H]1N(C)C(CC)CC)OCCO2 ZINC000043896193 175119201 /nfs/dbraw/zinc/11/92/01/175119201.db2.gz NKSGOHAWPDTVMZ-HOTGVXAUSA-N 1 1 298.471 2.771 10 0 CFAEMO CCC[NH2+][C@H]1CCC2(C[C@H]1N(C)[C@@H](C)C(C)C)OCCO2 ZINC000043895739 175119234 /nfs/dbraw/zinc/11/92/34/175119234.db2.gz UUJRMYHILFZGKA-HRCADAONSA-N 1 1 298.471 2.627 10 0 CFAEMO CCN[C@@H]1c2ccccc2CC[C@H]1[N@H+](C)C1CCOCC1 ZINC000043898499 175121002 /nfs/dbraw/zinc/12/10/02/175121002.db2.gz PNZHOXQGTDQERG-QZTJIDSGSA-N 1 1 288.435 2.763 10 0 CFAEMO CCN[C@@H]1c2ccccc2CC[C@H]1[N@@H+](C)C1CCOCC1 ZINC000043898499 175121004 /nfs/dbraw/zinc/12/10/04/175121004.db2.gz PNZHOXQGTDQERG-QZTJIDSGSA-N 1 1 288.435 2.763 10 0 CFAEMO CCc1ccc([C@@H](C[N@H+](C)C2CCOCC2)NC)cc1 ZINC000043898267 175121180 /nfs/dbraw/zinc/12/11/80/175121180.db2.gz VWCUWQMYYPKVOH-QGZVFWFLSA-N 1 1 276.424 2.620 10 0 CFAEMO CCc1ccc([C@@H](C[N@@H+](C)C2CCOCC2)NC)cc1 ZINC000043898267 175121181 /nfs/dbraw/zinc/12/11/81/175121181.db2.gz VWCUWQMYYPKVOH-QGZVFWFLSA-N 1 1 276.424 2.620 10 0 CFAEMO CC[C@@H]1CCC[N@@H+]1[C@@H]1COc2ccccc2[C@@H]1NC ZINC000043904320 175122410 /nfs/dbraw/zinc/12/24/10/175122410.db2.gz YBKFLHDZSUNLBM-XPKDYRNWSA-N 1 1 260.381 2.583 10 0 CFAEMO CC[C@@H]1CCC[N@H+]1[C@@H]1COc2ccccc2[C@@H]1NC ZINC000043904320 175122411 /nfs/dbraw/zinc/12/24/11/175122411.db2.gz YBKFLHDZSUNLBM-XPKDYRNWSA-N 1 1 260.381 2.583 10 0 CFAEMO CN[C@H](c1ccc(OC)cc1)[C@@H](C)[N@H+](C)CC1CC1 ZINC000043905380 175122424 /nfs/dbraw/zinc/12/24/24/175122424.db2.gz QZGYXODKPZAFCR-WBMJQRKESA-N 1 1 262.397 2.686 10 0 CFAEMO CN[C@H](c1ccc(OC)cc1)[C@@H](C)[N@@H+](C)CC1CC1 ZINC000043905380 175122425 /nfs/dbraw/zinc/12/24/25/175122425.db2.gz QZGYXODKPZAFCR-WBMJQRKESA-N 1 1 262.397 2.686 10 0 CFAEMO CN[C@H](C[N@@H+]1CCC[C@@H]1C)c1cc(C)ccc1OC ZINC000043902700 175122643 /nfs/dbraw/zinc/12/26/43/175122643.db2.gz NPSPRHAILKNPAG-DZGCQCFKSA-N 1 1 262.397 2.748 10 0 CFAEMO CN[C@H](C[N@H+]1CCC[C@@H]1C)c1cc(C)ccc1OC ZINC000043902700 175122644 /nfs/dbraw/zinc/12/26/44/175122644.db2.gz NPSPRHAILKNPAG-DZGCQCFKSA-N 1 1 262.397 2.748 10 0 CFAEMO CCC[NH2+][C@H]1CCOC[C@H]1N(CC(C)C)CC(C)C ZINC000043909745 175123436 /nfs/dbraw/zinc/12/34/36/175123436.db2.gz MANAINIJIMGZAR-JKSUJKDBSA-N 1 1 270.461 2.758 10 0 CFAEMO CN[C@H](C[N@H+](C)CCC(C)C)c1ccc(OC)cc1OC ZINC000043914402 175124668 /nfs/dbraw/zinc/12/46/68/175124668.db2.gz PHXXKAOYSNLQCJ-MRXNPFEDSA-N 1 1 294.439 2.942 10 0 CFAEMO CN[C@H](C[N@@H+](C)CCC(C)C)c1ccc(OC)cc1OC ZINC000043914402 175124670 /nfs/dbraw/zinc/12/46/70/175124670.db2.gz PHXXKAOYSNLQCJ-MRXNPFEDSA-N 1 1 294.439 2.942 10 0 CFAEMO CC[NH2+][C@@H](C)c1ccc(OC)c(CN(CC)CCOC)c1 ZINC000043968723 175129730 /nfs/dbraw/zinc/12/97/30/175129730.db2.gz QKJRJIXFQGLZCQ-AWEZNQCLSA-N 1 1 294.439 2.834 10 0 CFAEMO CC[C@@H](C)N(CCOC)[C@@H]1CCCCC[C@@H]1[NH2+]C ZINC000043973086 175132426 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1 1 293.407 2.613 10 0 CFAEMO CCCn1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000157471051 521656675 /nfs/dbraw/zinc/65/66/75/521656675.db2.gz LESLPEDGBFOWRF-HZPDHXFCSA-N 1 1 261.413 2.615 10 0 CFAEMO CCCn1ccc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000157471051 521656677 /nfs/dbraw/zinc/65/66/77/521656677.db2.gz LESLPEDGBFOWRF-HZPDHXFCSA-N 1 1 261.413 2.615 10 0 CFAEMO CCSCC[C@@H](C)[N@H+](C)Cc1nnc(C2CC2)n1C ZINC000174034435 521711715 /nfs/dbraw/zinc/71/17/15/521711715.db2.gz BSLVHSXCZVGSGB-LLVKDONJSA-N 1 1 282.457 2.656 10 0 CFAEMO CCSCC[C@@H](C)[N@@H+](C)Cc1nnc(C2CC2)n1C ZINC000174034435 521711716 /nfs/dbraw/zinc/71/17/16/521711716.db2.gz BSLVHSXCZVGSGB-LLVKDONJSA-N 1 1 282.457 2.656 10 0 CFAEMO C[NH2+]C(C)(C)c1nc(C(C)(C)c2ccc(F)cc2)no1 ZINC000069394740 521945085 /nfs/dbraw/zinc/94/50/85/521945085.db2.gz KUGJIFMCTJFZHM-UHFFFAOYSA-N 1 1 277.343 2.989 10 0 CFAEMO CCc1ccccc1[C@H](CN)[N@@H+]1CCCSCC1 ZINC000052203670 521952706 /nfs/dbraw/zinc/95/27/06/521952706.db2.gz PUCMOVRMWZCDIK-HNNXBMFYSA-N 1 1 264.438 2.688 10 0 CFAEMO CCc1ccccc1[C@H](CN)[N@H+]1CCCSCC1 ZINC000052203670 521952711 /nfs/dbraw/zinc/95/27/11/521952711.db2.gz PUCMOVRMWZCDIK-HNNXBMFYSA-N 1 1 264.438 2.688 10 0 CFAEMO CCc1ccccc1[C@H](CN)[N@H+](CC)[C@@H](C)COC ZINC000052203860 521954302 /nfs/dbraw/zinc/95/43/02/521954302.db2.gz MKZREGJRCDTYCC-BBRMVZONSA-N 1 1 264.413 2.606 10 0 CFAEMO CCc1ccccc1[C@H](CN)[N@@H+](CC)[C@@H](C)COC ZINC000052203860 521954311 /nfs/dbraw/zinc/95/43/11/521954311.db2.gz MKZREGJRCDTYCC-BBRMVZONSA-N 1 1 264.413 2.606 10 0 CFAEMO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CCc1cccs1 ZINC000054601510 521954819 /nfs/dbraw/zinc/95/48/19/521954819.db2.gz XYPNTILGDATBTH-AGUYFDCRSA-N 1 1 264.438 2.896 10 0 CFAEMO C[NH2+]CCC[C@H](C)N1CCN(c2ccccc2Cl)CC1 ZINC000052443405 522000735 /nfs/dbraw/zinc/00/07/35/522000735.db2.gz JQBVMBGQZBNDCC-AWEZNQCLSA-N 1 1 295.858 2.850 10 0 CFAEMO CCc1nc(C)c(CN2C[C@H]3CCCC[N@H+]3C[C@@H]2C)o1 ZINC000312357866 522202225 /nfs/dbraw/zinc/20/22/25/522202225.db2.gz WKMNCLNUSJYQPE-GXTWGEPZSA-N 1 1 277.412 2.604 10 0 CFAEMO C[NH2+][C@@H](c1cncc(F)c1)c1ccc(F)cc1F ZINC000062774384 522374176 /nfs/dbraw/zinc/37/41/76/522374176.db2.gz VFEZLAAKTAEBQU-ZDUSSCGKSA-N 1 1 252.239 2.808 10 0 CFAEMO C[NH2+][C@@H](c1nnc(-c2ccc(C)nc2)o1)c1ccccc1 ZINC000050617932 522374875 /nfs/dbraw/zinc/37/48/75/522374875.db2.gz VRBZPVNITZSQSF-CQSZACIVSA-N 1 1 280.331 2.749 10 0 CFAEMO C[NH2+][C@H](c1nnc(-c2ccc(C)o2)o1)c1ccccc1 ZINC000050617949 522487365 /nfs/dbraw/zinc/48/73/65/522487365.db2.gz OIWQFIFSRSAZJV-ZDUSSCGKSA-N 1 1 269.304 2.947 10 0 CFAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C2(SC)CC2)C1 ZINC000191759434 522592077 /nfs/dbraw/zinc/59/20/77/522592077.db2.gz WQFLKJOUGGZHDP-GFCCVEGCSA-N 1 1 293.436 2.505 10 0 CFAEMO COC1CCN(Cc2cc(C[NH2+]C(C)(C)C)co2)CC1 ZINC000052455332 522705646 /nfs/dbraw/zinc/70/56/46/522705646.db2.gz XCGJTSVMDPPTBY-UHFFFAOYSA-N 1 1 280.412 2.779 10 0 CFAEMO CNc1snnc1C[N@H+]1CCC[C@H]1C1CCCC1 ZINC000050815632 522733223 /nfs/dbraw/zinc/73/32/23/522733223.db2.gz HFSNSYNZNDLPMB-LBPRGKRZSA-N 1 1 266.414 2.734 10 0 CFAEMO C[N@@H+](CCCC[C@@](C)([NH2+]C1CC1)C(=O)[O-])CC(C)(C)C ZINC000045423800 522738549 /nfs/dbraw/zinc/73/85/49/522738549.db2.gz DCCKJUWPQLEYME-MRXNPFEDSA-N 1 1 284.444 2.730 10 0 CFAEMO CN(CCC[NH2+]CC1CCOCC1)Cc1ccccc1 ZINC000052171823 522773136 /nfs/dbraw/zinc/77/31/36/522773136.db2.gz ZFAZJMGVYGNTOX-UHFFFAOYSA-N 1 1 276.424 2.525 10 0 CFAEMO CN(CC[N@H+]1CCO[C@H]2CCCC[C@H]21)c1ccccc1 ZINC000246114412 522837641 /nfs/dbraw/zinc/83/76/41/522837641.db2.gz CFPSTAONNXWGDU-SJORKVTESA-N 1 1 274.408 2.766 10 0 CFAEMO CCn1c(C)nnc1C[N@H+]1CCC2(C1)CCCCC2 ZINC000172945088 523148519 /nfs/dbraw/zinc/14/85/19/523148519.db2.gz CJISONLCVZOOOC-UHFFFAOYSA-N 1 1 262.401 2.763 10 0 CFAEMO CC[C@](C)(CN)[N@@H+](C)CCCOc1ccccc1 ZINC000061815671 523461486 /nfs/dbraw/zinc/46/14/86/523461486.db2.gz FCHKYNGXPHIKLL-OAHLLOKOSA-N 1 1 250.386 2.515 10 0 CFAEMO CC[C@](C)(C[NH3+])N(C)CCCOc1ccccc1 ZINC000061815671 523461495 /nfs/dbraw/zinc/46/14/95/523461495.db2.gz FCHKYNGXPHIKLL-OAHLLOKOSA-N 1 1 250.386 2.515 10 0 CFAEMO CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1ccccc1F ZINC000361376510 523477013 /nfs/dbraw/zinc/47/70/13/523477013.db2.gz GEXNKZSFLURJEU-ZIAGYGMSSA-N 1 1 290.382 2.915 10 0 CFAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1CCc1csc(C)n1 ZINC000300414946 523487759 /nfs/dbraw/zinc/48/77/59/523487759.db2.gz PNRDHJVORMDISK-CABCVRRESA-N 1 1 279.453 2.553 10 0 CFAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1cn2c(cccc2C)n1 ZINC000246074290 523488232 /nfs/dbraw/zinc/48/82/32/523488232.db2.gz JDXXARKWHAZBJH-SJORKVTESA-N 1 1 298.434 2.701 10 0 CFAEMO CCc1cc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)oc1CC ZINC000246214865 523761884 /nfs/dbraw/zinc/76/18/84/523761884.db2.gz CJADXVYLPLBQHP-TZMCWYRMSA-N 1 1 290.407 2.713 10 0 CFAEMO C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000050925614 523794106 /nfs/dbraw/zinc/79/41/06/523794106.db2.gz AEHYTEAUZICQTN-HUUCEWRRSA-N 1 1 282.428 2.580 10 0 CFAEMO C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000050925614 523794107 /nfs/dbraw/zinc/79/41/07/523794107.db2.gz AEHYTEAUZICQTN-HUUCEWRRSA-N 1 1 282.428 2.580 10 0 CFAEMO C[NH+]1CCCC[C@@H]1CC[N@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000050925614 523794115 /nfs/dbraw/zinc/79/41/15/523794115.db2.gz AEHYTEAUZICQTN-HUUCEWRRSA-N 1 1 282.428 2.580 10 0 CFAEMO COc1ccc(C)cc1C[N@@H+](CCC(N)=S)C(C)C ZINC000050704084 523810116 /nfs/dbraw/zinc/81/01/16/523810116.db2.gz YBGBTRXCEDXSRZ-UHFFFAOYSA-N 1 1 280.437 2.890 10 0 CFAEMO CCc1ccc(CNC[C@@H](C(C)C)[NH+](C)C)s1 ZINC000051717325 523942222 /nfs/dbraw/zinc/94/22/22/523942222.db2.gz NTAYKZDHJURFOL-AWEZNQCLSA-N 1 1 254.443 2.986 10 0 CFAEMO CO[C@H](c1nc([C@H]([NH3+])C(C)(C)C)no1)c1ccccc1 ZINC000050438343 523959927 /nfs/dbraw/zinc/95/99/27/523959927.db2.gz XRNYHAIALVKPAS-RYUDHWBXSA-N 1 1 275.352 2.851 10 0 CFAEMO COc1ccc(C[N@@H+](C)CCCCC(N)=S)cc1 ZINC000049582758 524002381 /nfs/dbraw/zinc/00/23/81/524002381.db2.gz JSOINCCHFKICGN-UHFFFAOYSA-N 1 1 266.410 2.583 10 0 CFAEMO C[N@@H+]1C[C@@H](Cc2ccccc2)NC[C@@H]1Cc1ccccc1 ZINC000062671222 524008996 /nfs/dbraw/zinc/00/89/96/524008996.db2.gz NZWNCUATXGEDSO-MOPGFXCFSA-N 1 1 280.415 2.744 10 0 CFAEMO C[N@H+]1C[C@@H](Cc2ccccc2)NC[C@@H]1Cc1ccccc1 ZINC000062671222 524009000 /nfs/dbraw/zinc/00/90/00/524009000.db2.gz NZWNCUATXGEDSO-MOPGFXCFSA-N 1 1 280.415 2.744 10 0 CFAEMO C[C@H](CC1CCCC1)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000246417683 524101715 /nfs/dbraw/zinc/10/17/15/524101715.db2.gz SNTBGKWBILWMNR-YCPHGPKFSA-N 1 1 278.440 2.898 10 0 CFAEMO Cc1ccc(C)c(OCCN(C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000231668970 524177958 /nfs/dbraw/zinc/17/79/58/524177958.db2.gz WMUJUJJOTXGKTO-MRXNPFEDSA-N 1 1 276.424 2.756 10 0 CFAEMO C[C@@H]1CCC[N@H+]([C@@H](CN)c2ccc3c(c2)CCO3)[C@@H]1C ZINC000050563778 524244899 /nfs/dbraw/zinc/24/48/99/524244899.db2.gz IWFCZAYQXVQQNZ-IOASZLSFSA-N 1 1 274.408 2.742 10 0 CFAEMO C[C@@H]1CCC[N@@H+]([C@@H](CN)c2ccc3c(c2)CCO3)[C@@H]1C ZINC000050563778 524244913 /nfs/dbraw/zinc/24/49/13/524244913.db2.gz IWFCZAYQXVQQNZ-IOASZLSFSA-N 1 1 274.408 2.742 10 0 CFAEMO Cc1ccc(CCC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000155474111 524300218 /nfs/dbraw/zinc/30/02/18/524300218.db2.gz DJKHYNCVJFKUPI-DOTOQJQBSA-N 1 1 288.435 2.773 10 0 CFAEMO Cc1cccc(N2CCC(OC3CCOCC3)CC2)[nH+]1 ZINC000157668824 524540776 /nfs/dbraw/zinc/54/07/76/524540776.db2.gz VADJUUUEWDRYES-UHFFFAOYSA-N 1 1 276.380 2.554 10 0 CFAEMO COc1ccccc1OCC[NH2+][C@H](C)c1ncc(C)o1 ZINC000220884851 524676953 /nfs/dbraw/zinc/67/69/53/524676953.db2.gz PZUUPZGCXYIRFW-GFCCVEGCSA-N 1 1 276.336 2.721 10 0 CFAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1(Cc2ccccc2)CC1 ZINC000246110820 524687866 /nfs/dbraw/zinc/68/78/66/524687866.db2.gz JSDFQAIQFOJIAZ-RDJZCZTQSA-N 1 1 298.430 2.704 10 0 CFAEMO Cc1ccc(Cc2noc([C@@H]([NH3+])C3CC3)n2)cc1C ZINC000061681143 524698732 /nfs/dbraw/zinc/69/87/32/524698732.db2.gz IWWFUKRCRHMNOQ-AWEZNQCLSA-N 1 1 257.337 2.687 10 0 CFAEMO COc1ccccc1[C@@H](CN)[NH+]1CCC(C)(C)CC1 ZINC000061818318 524731953 /nfs/dbraw/zinc/73/19/53/524731953.db2.gz FAXMQQPSSWKTTM-CQSZACIVSA-N 1 1 262.397 2.817 10 0 CFAEMO Cc1cc(F)ccc1CNC[C@@H](C(C)C)[NH+](C)C ZINC000050569219 524977262 /nfs/dbraw/zinc/97/72/62/524977262.db2.gz KLACXPPZKXZJFE-HNNXBMFYSA-N 1 1 252.377 2.810 10 0 CFAEMO Cc1cccc2nc(C[NH+]3CCC(c4cc[nH]n4)CC3)cn21 ZINC000195507540 524980609 /nfs/dbraw/zinc/98/06/09/524980609.db2.gz WGCHVOXKQPDNHH-UHFFFAOYSA-N 1 1 295.390 2.745 10 0 CFAEMO Cc1cc(F)ccc1[C@H]([NH3+])c1noc(C(C)(C)C)n1 ZINC000050580598 525007147 /nfs/dbraw/zinc/00/71/47/525007147.db2.gz GUUDCIBTDXWCNU-NSHDSACASA-N 1 1 263.316 2.863 10 0 CFAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cccc2[nH]ccc21 ZINC000247329459 525088740 /nfs/dbraw/zinc/08/87/40/525088740.db2.gz MGAWIOHRABZNKR-OLZOCXBDSA-N 1 1 298.390 2.868 10 0 CFAEMO C[C@@H]1COC[C@H](C)[N@@H+]1CCCOCc1ccccc1 ZINC000182407405 525148768 /nfs/dbraw/zinc/14/87/68/525148768.db2.gz OSJOULZRDNYMFQ-GASCZTMLSA-N 1 1 263.381 2.703 10 0 CFAEMO COc1ccc([C@@H](C)[NH2+][C@@H](C)CN2CCCC2)c(OC)c1 ZINC000049149691 525156638 /nfs/dbraw/zinc/15/66/38/525156638.db2.gz ADYQDIWOKULMNT-UONOGXRCSA-N 1 1 292.423 2.839 10 0 CFAEMO Cc1ccc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c(F)c1 ZINC000246297964 525174579 /nfs/dbraw/zinc/17/45/79/525174579.db2.gz CVHNIJACEFGVSH-IUODEOHRSA-N 1 1 293.386 2.984 10 0 CFAEMO Cc1ccc(NC(=O)c2c[nH+]c(NN)c(Cl)c2)cc1F ZINC000051096729 525251457 /nfs/dbraw/zinc/25/14/57/525251457.db2.gz XYIFVIXWTGQMFZ-UHFFFAOYSA-N 1 1 294.717 2.720 10 0 CFAEMO C[C@@H](NC(=O)c1cccc(NN)[nH+]1)c1cccc(Cl)c1 ZINC000051117817 525343172 /nfs/dbraw/zinc/34/31/72/525343172.db2.gz UBWMYRJBCXNEEJ-SECBINFHSA-N 1 1 290.754 2.512 10 0 CFAEMO C[C@@H]([NH2+]C1COC1)c1ccc(Br)s1 ZINC000087194670 525404128 /nfs/dbraw/zinc/40/41/28/525404128.db2.gz IQNPXAOYPBGCKE-ZCFIWIBFSA-N 1 1 262.172 2.560 10 0 CFAEMO Cc1ccc(OCCC[N@H+]2CC[C@@H](CCO)C2)cc1C ZINC000227574067 525411472 /nfs/dbraw/zinc/41/14/72/525411472.db2.gz WHIMTNRCCJICRZ-INIZCTEOSA-N 1 1 277.408 2.777 10 0 CFAEMO CSCCC[N@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000173700095 525448040 /nfs/dbraw/zinc/44/80/40/525448040.db2.gz XEJQILAAAMZQFT-CYBMUJFWSA-N 1 1 253.415 2.582 10 0 CFAEMO CSCC[N@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000195441432 525505654 /nfs/dbraw/zinc/50/56/54/525505654.db2.gz ZNDFXUQTYMDVPR-NSHDSACASA-N 1 1 256.440 2.994 10 0 CFAEMO C[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1ncc(Br)s1 ZINC000131664750 525622134 /nfs/dbraw/zinc/62/21/34/525622134.db2.gz YHTDGTRVICWMEG-RNJXMRFFSA-N 1 1 291.214 2.734 10 0 CFAEMO C[C@@H]1[C@@H](C)CCC[N@@H+]1[C@@H](CN)c1ccc2c(c1)OCO2 ZINC000050563955 525642921 /nfs/dbraw/zinc/64/29/21/525642921.db2.gz DNDNICDDFKPZOO-SCRDCRAPSA-N 1 1 276.380 2.536 10 0 CFAEMO C[C@@H]1[C@@H](C)CCC[N@H+]1[C@@H](CN)c1ccc2c(c1)OCO2 ZINC000050563955 525642930 /nfs/dbraw/zinc/64/29/30/525642930.db2.gz DNDNICDDFKPZOO-SCRDCRAPSA-N 1 1 276.380 2.536 10 0 CFAEMO Cc1ccncc1C[NH2+][C@@H]1CC(=O)N(C)c2ccccc21 ZINC000162682423 525750624 /nfs/dbraw/zinc/75/06/24/525750624.db2.gz CWKZFLDDWGGBCW-OAHLLOKOSA-N 1 1 281.359 2.587 10 0 CFAEMO COc1cccc(C2CC([NH2+][C@H](C)CCN(C)C)C2)c1 ZINC000049553941 525860252 /nfs/dbraw/zinc/86/02/52/525860252.db2.gz WWJDXRYCSBOMNY-IUDNXUCKSA-N 1 1 276.424 2.871 10 0 CFAEMO COc1cccc(CN2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)c1 ZINC000227384524 525958439 /nfs/dbraw/zinc/95/84/39/525958439.db2.gz WESYZEZHQVHIFM-HOCLYGCPSA-N 1 1 274.408 2.754 10 0 CFAEMO COc1cccc(C[N@@H+]2C[C@@H]3CCCCN3C[C@@H]2C)c1 ZINC000227384524 525958448 /nfs/dbraw/zinc/95/84/48/525958448.db2.gz WESYZEZHQVHIFM-HOCLYGCPSA-N 1 1 274.408 2.754 10 0 CFAEMO COc1cccc(C[N@H+]2C[C@@H]3CCCCN3C[C@@H]2C)c1 ZINC000227384524 525958460 /nfs/dbraw/zinc/95/84/60/525958460.db2.gz WESYZEZHQVHIFM-HOCLYGCPSA-N 1 1 274.408 2.754 10 0 CFAEMO CSc1ccc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000195096577 525958630 /nfs/dbraw/zinc/95/86/30/525958630.db2.gz NEUHCSILDXSHIR-CQSZACIVSA-N 1 1 290.432 2.719 10 0 CFAEMO CSc1ccc(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1 ZINC000195096577 525958643 /nfs/dbraw/zinc/95/86/43/525958643.db2.gz NEUHCSILDXSHIR-CQSZACIVSA-N 1 1 290.432 2.719 10 0 CFAEMO Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000174780696 525974498 /nfs/dbraw/zinc/97/44/98/525974498.db2.gz JVQHINHPFFSGOB-IAGOWNOFSA-N 1 1 285.391 2.599 10 0 CFAEMO Cc1ccc([C@H]2CCCC[N@H+]2CCCN2CCOCC2)o1 ZINC000173796393 525995424 /nfs/dbraw/zinc/99/54/24/525995424.db2.gz HCHAIXPPAXZKHQ-MRXNPFEDSA-N 1 1 292.423 2.837 10 0 CFAEMO C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1CCS[C@H](C)C1 ZINC000246126457 526040717 /nfs/dbraw/zinc/04/07/17/526040717.db2.gz LVDVDUOXFJZPKT-CHWSQXEVSA-N 1 1 284.469 2.509 10 0 CFAEMO C[C@H](C(=O)NCC1CCCCC1)[N@H+]1CCS[C@H](C)C1 ZINC000246126457 526040726 /nfs/dbraw/zinc/04/07/26/526040726.db2.gz LVDVDUOXFJZPKT-CHWSQXEVSA-N 1 1 284.469 2.509 10 0 CFAEMO C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000171617329 526060726 /nfs/dbraw/zinc/06/07/26/526060726.db2.gz SPGYGWHAGKYPQK-DOMZBBRYSA-N 1 1 274.343 2.815 10 0 CFAEMO Cc1cnc([C@H](C)[NH2+]C[C@@H](O)CC2CCCC2)o1 ZINC000235512150 526156547 /nfs/dbraw/zinc/15/65/47/526156547.db2.gz VKDFVVXECOCZEI-AAEUAGOBSA-N 1 1 252.358 2.575 10 0 CFAEMO O[C@H](COCc1ccccc1)C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000084963902 526285703 /nfs/dbraw/zinc/28/57/03/526285703.db2.gz ZBVIWYZSLPTQNQ-KSZLIROESA-N 1 1 289.419 2.686 10 0 CFAEMO O[C@]12CCCC[C@@H]1C[N@@H+](Cc1ccc(Cl)cn1)CC2 ZINC000305787957 526321997 /nfs/dbraw/zinc/32/19/97/526321997.db2.gz BUWZBOPBWATEAP-DOMZBBRYSA-N 1 1 280.799 2.862 10 0 CFAEMO Fc1ccc(CN[C@@H]2CC[N@H+]3CCC[C@H]23)c(Cl)c1 ZINC000049568248 526339867 /nfs/dbraw/zinc/33/98/67/526339867.db2.gz WTUWIZPNCDXJFN-ZIAGYGMSSA-N 1 1 268.763 2.805 10 0 CFAEMO Fc1ccc(C[NH2+][C@@H]2CCN3CCC[C@H]23)c(Cl)c1 ZINC000049568248 526339871 /nfs/dbraw/zinc/33/98/71/526339871.db2.gz WTUWIZPNCDXJFN-ZIAGYGMSSA-N 1 1 268.763 2.805 10 0 CFAEMO Cc1csc(C[NH2+][C@H](CC(C)C)CN(C)C)n1 ZINC000083704834 526362357 /nfs/dbraw/zinc/36/23/57/526362357.db2.gz AATPABMGSXFQAX-GFCCVEGCSA-N 1 1 255.431 2.517 10 0 CFAEMO Fc1ccc(OCC[NH+]2CCC(c3ccn[nH]3)CC2)cc1 ZINC000195506582 526357620 /nfs/dbraw/zinc/35/76/20/526357620.db2.gz GCGIEYFUJUYEPM-UHFFFAOYSA-N 1 1 289.354 2.807 10 0 CFAEMO Cc1csc([C@@H]([NH3+])c2cc(F)c(F)c(F)c2)n1 ZINC000062719411 526414362 /nfs/dbraw/zinc/41/43/62/526414362.db2.gz FYHAPUPUILKOJP-JTQLQIEISA-N 1 1 258.268 2.917 10 0 CFAEMO O=C(c1c(F)cccc1Cl)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195065193 526578331 /nfs/dbraw/zinc/57/83/31/526578331.db2.gz INDQYUJDUCVPJZ-LLVKDONJSA-N 1 1 296.773 2.789 10 0 CFAEMO O=C(c1c(F)cccc1Cl)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195065193 526578332 /nfs/dbraw/zinc/57/83/32/526578332.db2.gz INDQYUJDUCVPJZ-LLVKDONJSA-N 1 1 296.773 2.789 10 0 CFAEMO Cc1nc(C)c([C@H](C)NCC[C@@H]2CCC[NH2+]2)s1 ZINC000049538764 526753320 /nfs/dbraw/zinc/75/33/20/526753320.db2.gz AQJCSEFBHLKNLP-CABZTGNLSA-N 1 1 253.415 2.553 10 0 CFAEMO Cc1nc(C[C@H]2CCC[N@@H+](CC3CCCC3)C2)no1 ZINC000170778963 526921711 /nfs/dbraw/zinc/92/17/11/526921711.db2.gz RBWAVFCSYZQTLD-CQSZACIVSA-N 1 1 263.385 2.823 10 0 CFAEMO Cc1nc2sccn2c1C[NH2+]Cc1cccc(C)n1 ZINC000051575235 527209350 /nfs/dbraw/zinc/20/93/50/527209350.db2.gz FNWVQXMQNQFDMI-UHFFFAOYSA-N 1 1 272.377 2.697 10 0 CFAEMO NNc1[nH+]c(C(=O)N2CCCCCC2)cc2ccccc21 ZINC000051095877 527285398 /nfs/dbraw/zinc/28/53/98/527285398.db2.gz TYBZFCQFPKPGGT-UHFFFAOYSA-N 1 1 284.363 2.537 10 0 CFAEMO O=C(Cc1ccccc1F)N1CC[NH2+]Cc2ccccc21 ZINC000062818556 527289307 /nfs/dbraw/zinc/28/93/07/527289307.db2.gz UAUPKBRCZSTGGM-UHFFFAOYSA-N 1 1 284.334 2.505 10 0 CFAEMO Cc1[nH+]cc2n1CC[C@H](C(=O)NC1(C)CCC(C)CC1)C2 ZINC000336483272 527320613 /nfs/dbraw/zinc/32/06/13/527320613.db2.gz ICSRALAFSRMHHM-TVIZTDCDSA-N 1 1 289.423 2.839 10 0 CFAEMO [NH3+][C@@H](c1nc(-c2cccs2)n[nH]1)c1ccccc1 ZINC000054700185 527339578 /nfs/dbraw/zinc/33/95/78/527339578.db2.gz YGNXZJYBQNBXFH-LLVKDONJSA-N 1 1 256.334 2.581 10 0 CFAEMO Cc1[nH+]ccn1-c1ccc([C@H](C)O)cc1Br ZINC000061697198 527381538 /nfs/dbraw/zinc/38/15/38/527381538.db2.gz FYUKWVWFZNZYSM-QMMMGPOBSA-N 1 1 281.153 2.997 10 0 CFAEMO Cc1[nH+]ccn1CCOc1ccc2ccccc2c1CO ZINC000049330932 527434402 /nfs/dbraw/zinc/43/44/02/527434402.db2.gz HAHNWXZKNMCSGF-UHFFFAOYSA-N 1 1 282.343 2.916 10 0 CFAEMO Cc1[nH+]cn(CCCC(=O)Nc2ccccc2N)c1C ZINC000051925929 527460977 /nfs/dbraw/zinc/46/09/77/527460977.db2.gz MUFCQUZBSFYNCY-UHFFFAOYSA-N 1 1 272.352 2.501 10 0 CFAEMO Nc1nc2ccccc2cc1C[N@H+]1CCCC[C@@H]1CCO ZINC000050792858 527560979 /nfs/dbraw/zinc/56/09/79/527560979.db2.gz JRLJULSKCAGTQF-OAHLLOKOSA-N 1 1 285.391 2.554 10 0 CFAEMO Nc1nc2ccccc2cc1C[N@H+]1CCCC[C@H]1CCO ZINC000050792859 527561596 /nfs/dbraw/zinc/56/15/96/527561596.db2.gz JRLJULSKCAGTQF-HNNXBMFYSA-N 1 1 285.391 2.554 10 0 CFAEMO OCC[C@@H]1CC[N@@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000227567942 527564536 /nfs/dbraw/zinc/56/45/36/527564536.db2.gz SZNBEQBTMQBPLH-LBPRGKRZSA-N 1 1 274.339 2.578 10 0 CFAEMO Nc1ncccc1C[N@H+](Cc1ccsc1)C1CC1 ZINC000052727016 527569094 /nfs/dbraw/zinc/56/90/94/527569094.db2.gz XVPLSADROFWVIR-UHFFFAOYSA-N 1 1 259.378 2.890 10 0 CFAEMO Nc1ncccc1C[N@@H+](Cc1ccsc1)C1CC1 ZINC000052727016 527569098 /nfs/dbraw/zinc/56/90/98/527569098.db2.gz XVPLSADROFWVIR-UHFFFAOYSA-N 1 1 259.378 2.890 10 0 CFAEMO OCC[C@H]1CC[N@@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000227567947 527571144 /nfs/dbraw/zinc/57/11/44/527571144.db2.gz SZNBEQBTMQBPLH-GFCCVEGCSA-N 1 1 274.339 2.578 10 0 CFAEMO O[C@@H]1CC[N@@H+](C[C@H]2CCCC2(F)F)C2(CCC2)C1 ZINC000334966981 527673495 /nfs/dbraw/zinc/67/34/95/527673495.db2.gz JVBKYJRQMVJMFC-VXGBXAGGSA-N 1 1 259.340 2.801 10 0 CFAEMO O[C@H](CCc1ccccc1)C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000182522791 527682988 /nfs/dbraw/zinc/68/29/88/527682988.db2.gz SCPFVLVGHXTKGM-QZTJIDSGSA-N 1 1 299.418 2.930 10 0 CFAEMO FC(F)(F)c1cccc(CN2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000246504787 527685064 /nfs/dbraw/zinc/68/50/64/527685064.db2.gz NKMYUKHUOHAVOC-AWEZNQCLSA-N 1 1 284.325 2.985 10 0 CFAEMO CCOCC[N@@H+]1CCN(C(=O)C(C)(C)CC(C)C)C[C@@H]1C ZINC000175423632 528732545 /nfs/dbraw/zinc/73/25/45/528732545.db2.gz PTQZMFDQBUABGM-HNNXBMFYSA-N 1 1 298.471 2.628 10 0 CFAEMO CCOCC[N@H+]1CCN(C(=O)C(C)(C)CC(C)C)C[C@@H]1C ZINC000175423632 528732552 /nfs/dbraw/zinc/73/25/52/528732552.db2.gz PTQZMFDQBUABGM-HNNXBMFYSA-N 1 1 298.471 2.628 10 0 CFAEMO CC[N@@H+]1CCC[C@@H](NCc2cc(C)ccc2F)C1 ZINC000116914656 529057148 /nfs/dbraw/zinc/05/71/48/529057148.db2.gz IXHHMQCXICBETL-CQSZACIVSA-N 1 1 250.361 2.708 10 0 CFAEMO CC[N@H+]1CCC[C@@H](NCc2cc(C)ccc2F)C1 ZINC000116914656 529057156 /nfs/dbraw/zinc/05/71/56/529057156.db2.gz IXHHMQCXICBETL-CQSZACIVSA-N 1 1 250.361 2.708 10 0 CFAEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1csc([C@@H](C)OC)n1 ZINC000175350859 529068489 /nfs/dbraw/zinc/06/84/89/529068489.db2.gz LRSIOIYEDVLYRN-TZMCWYRMSA-N 1 1 297.468 2.767 10 0 CFAEMO CC[N@H+]1CCC[C@H](NC(=O)/C=C/SCc2ccco2)C1 ZINC000175832023 529085710 /nfs/dbraw/zinc/08/57/10/529085710.db2.gz ZKDWIOZZTVCXCJ-RSPDNQDQSA-N 1 1 294.420 2.627 10 0 CFAEMO COc1cc(C)nc(C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000250948144 536692509 /nfs/dbraw/zinc/69/25/09/536692509.db2.gz DVBMEJZVUPZXNI-WMLDXEAASA-N 1 1 290.407 2.526 10 0 CFAEMO c1nc(CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)co1 ZINC000395113775 574348582 /nfs/dbraw/zinc/34/85/82/574348582.db2.gz BVOGDHWIAONJPS-RYQLBKOJSA-N 1 1 297.402 2.675 10 0 CFAEMO Cc1nc(C[C@@H]2CCC[N@@H+](CCc3cccs3)C2)no1 ZINC000161051033 617667786 /nfs/dbraw/zinc/66/77/86/617667786.db2.gz SXQAINMJJVKQEQ-ZDUSSCGKSA-N 1 1 291.420 2.937 10 0 CFAEMO CCC1(CC)CCNC2(CC[NH+](C3CC3)CC2)O1 ZINC000757139339 617793853 /nfs/dbraw/zinc/79/38/53/617793853.db2.gz GVKMLDDWQVZIJF-UHFFFAOYSA-N 1 1 252.402 2.510 10 0 CFAEMO CC[N@H+]1CCC[C@H](NC(=O)/C=C(/C)c2ccc(F)cc2)C1 ZINC000255142877 618005165 /nfs/dbraw/zinc/00/51/65/618005165.db2.gz WUGVPHDCGZCHLP-KVNDZABWSA-N 1 1 290.382 2.830 10 0 CFAEMO CCc1ccccc1CC[N@H+]1C[C@H](OC)C[C@@H]1c1ncc[nH]1 ZINC000888079353 618109143 /nfs/dbraw/zinc/10/91/43/618109143.db2.gz ZEEZAWJBDUBKAN-IAGOWNOFSA-N 1 1 299.418 2.977 10 0 CFAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1C/C=C\Cl ZINC000255719953 618269959 /nfs/dbraw/zinc/26/99/59/618269959.db2.gz SXWXEVZUEGGRJR-HWPRWLFBSA-N 1 1 253.777 2.926 10 0 CFAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccnc(Cl)c1 ZINC000177368739 618410041 /nfs/dbraw/zinc/41/00/41/618410041.db2.gz GMMQUJMMGVHPIV-UONOGXRCSA-N 1 1 279.815 2.794 10 0 CFAEMO CCOCC[N@@H+](CC)C[C@H](O)c1cc2ccccc2o1 ZINC000111121233 618741666 /nfs/dbraw/zinc/74/16/66/618741666.db2.gz CUTVNULGXHYOND-AWEZNQCLSA-N 1 1 277.364 2.825 10 0 CFAEMO COC(=O)C1=CC[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1 ZINC000033979567 618741936 /nfs/dbraw/zinc/74/19/36/618741936.db2.gz SMDYGFMEOYDEFR-ZFWWWQNUSA-N 1 1 257.333 2.523 10 0 CFAEMO COC(=O)[C@H]1C[N@@H+](Cc2ccc(F)c(Cl)c2)C[C@H]1C ZINC000093762515 619055020 /nfs/dbraw/zinc/05/50/20/619055020.db2.gz LENISEDGOPPYNM-KOLCDFICSA-N 1 1 285.746 2.720 10 0 CFAEMO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c(O)ccc(Cl)c1F ZINC000248896996 619058959 /nfs/dbraw/zinc/05/89/59/619058959.db2.gz UHLQDSLSRUPBFO-MNOVXSKESA-N 1 1 298.789 2.853 10 0 CFAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1c(O)ccc(Cl)c1F ZINC000248896996 619058961 /nfs/dbraw/zinc/05/89/61/619058961.db2.gz UHLQDSLSRUPBFO-MNOVXSKESA-N 1 1 298.789 2.853 10 0 CFAEMO C[NH2+][C@H](C)c1nc(Cc2ccc(Br)cc2)no1 ZINC000054053190 619120273 /nfs/dbraw/zinc/12/02/73/619120273.db2.gz XAJRYKFTXWTORA-MRVPVSSYSA-N 1 1 296.168 2.703 10 0 CFAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)/C=C/C2CCCCC2)C1 ZINC000155636987 622323253 /nfs/dbraw/zinc/32/32/53/622323253.db2.gz CQRPDFMQUBDSPD-MVHLYKQMSA-N 1 1 278.440 2.968 10 0 CFAEMO CC[N@@H+](CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)C1CCCCC1 ZINC000058590757 623053959 /nfs/dbraw/zinc/05/39/59/623053959.db2.gz LQCBMZUULGZYKW-HUUCEWRRSA-N 1 1 290.407 2.550 10 0 CFAEMO C/C=C(\CC)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000188420698 623091705 /nfs/dbraw/zinc/09/17/05/623091705.db2.gz PEJBIGCFDLERRY-BRRGFWCPSA-N 1 1 252.402 2.579 10 0 CFAEMO CCCCC[C@H](C)NC(=O)C[N@@H+]1CCS[C@H](C)C1 ZINC000171698186 623239013 /nfs/dbraw/zinc/23/90/13/623239013.db2.gz NFVZCVXVHJSRAA-QWHCGFSZSA-N 1 1 272.458 2.509 10 0 CFAEMO CCCCC[C@H](C)NC(=O)C[N@H+]1CCS[C@H](C)C1 ZINC000171698186 623239015 /nfs/dbraw/zinc/23/90/15/623239015.db2.gz NFVZCVXVHJSRAA-QWHCGFSZSA-N 1 1 272.458 2.509 10 0 CFAEMO C[NH2+][C@H](C)c1nc(Cc2c(F)cccc2Cl)no1 ZINC000062351575 623265808 /nfs/dbraw/zinc/26/58/08/623265808.db2.gz AYTLQXGIAJIPPP-SSDOTTSWSA-N 1 1 269.707 2.733 10 0 CFAEMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cnc(N)cn1 ZINC000231299290 623337437 /nfs/dbraw/zinc/33/74/37/623337437.db2.gz QDZJGGASTLYXDU-JTQLQIEISA-N 1 1 276.771 2.905 10 0 CFAEMO CCCCCCOCC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1CC ZINC000175017350 624924451 /nfs/dbraw/zinc/92/44/51/624924451.db2.gz INQFNBALZHZVLE-JKSUJKDBSA-N 1 1 296.455 2.669 10 0 CFAEMO c1ccc(CN2C[C@@]34C[NH2+]C[C@]3(C2)CCCC4)cc1 ZINC000757068375 630860305 /nfs/dbraw/zinc/86/03/05/630860305.db2.gz KJMBUOZESIYYAR-CALCHBBNSA-N 1 1 256.393 2.652 10 0 CFAEMO C[C@@H]1C[N@H+](C[C@H](O)c2ccc3ccccc3c2)C[C@H](C)O1 ZINC000042244339 649996544 /nfs/dbraw/zinc/99/65/44/649996544.db2.gz XMDXQMQWBHJVBG-IYOUNJFTSA-N 1 1 285.387 2.982 10 0 CFAEMO CC[N@H+]1CCC[C@@H]1CN(C)C[C@H](O)c1ccccc1Cl ZINC000106379306 632720334 /nfs/dbraw/zinc/72/03/34/632720334.db2.gz QFEQWVCXXFAGDA-CJNGLKHVSA-N 1 1 296.842 2.790 10 0 CFAEMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000191176291 650481538 /nfs/dbraw/zinc/48/15/38/650481538.db2.gz WHVKNPALQQVFCX-CABZTGNLSA-N 1 1 287.762 2.825 10 0 CFAEMO C[C@H]1CC[C@@H](C(=O)OCCC[N@@H+](C)Cc2ccccc2)O1 ZINC000126362217 643180611 /nfs/dbraw/zinc/18/06/11/643180611.db2.gz DMRQFGQVAAFPQE-HOCLYGCPSA-N 1 1 291.391 2.619 10 0 CFAEMO CCCCCC(C)(C)C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000247068197 650896306 /nfs/dbraw/zinc/89/63/06/650896306.db2.gz WQXIPMDUNXMPQG-GJZGRUSLSA-N 1 1 298.471 2.506 10 0 CFAEMO CCCCCC(C)(C)C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000247068197 650896309 /nfs/dbraw/zinc/89/63/09/650896309.db2.gz WQXIPMDUNXMPQG-GJZGRUSLSA-N 1 1 298.471 2.506 10 0 CFAEMO CC[N@@H+](C[C@@H](O)c1ccc(C)cc1)C[C@](C)(O)CC ZINC000249292996 650958065 /nfs/dbraw/zinc/95/80/65/650958065.db2.gz AOLNPRHZASLOPC-HZPDHXFCSA-N 1 1 265.397 2.511 10 0 CFAEMO COC(=O)[C@H]1C[N@@H+](Cc2ccccc2OC(F)F)C[C@H]1C ZINC000094996333 650967246 /nfs/dbraw/zinc/96/72/46/650967246.db2.gz HJIPQQHGZUOAQB-PWSUYJOCSA-N 1 1 299.317 2.529 10 0 CFAEMO Cc1nc(C[C@@H]2CCCC[N@@H+]2C)n(-c2ccccc2F)n1 ZINC000096161537 650985568 /nfs/dbraw/zinc/98/55/68/650985568.db2.gz HTSWOMHAKUSANF-ZDUSSCGKSA-N 1 1 288.370 2.742 10 0 CFAEMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1c1nc(Cl)cs1 ZINC000251840883 650996078 /nfs/dbraw/zinc/99/60/78/650996078.db2.gz QLMGXAHYVYTKRY-UWVGGRQHSA-N 1 1 271.817 2.860 10 0 CFAEMO C/C(=C/c1ccco1)C[N@H+]1CCC[C@H](c2cc(=O)[nH]cn2)C1 ZINC000096837043 651000029 /nfs/dbraw/zinc/00/00/29/651000029.db2.gz HEDFQICLJAGZFW-MQJVFOOVSA-N 1 1 299.374 2.646 10 0 CFAEMO COC(=O)[C@@H]1C[N@@H+](Cc2c(C)cccc2C)C[C@@H]1C ZINC000129769221 645392967 /nfs/dbraw/zinc/39/29/67/645392967.db2.gz BYKWFFLEHJPCKM-DZGCQCFKSA-N 1 1 261.365 2.544 10 0 CFAEMO C[C@](O)(C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O)c1ccccc1 ZINC000253095005 651037159 /nfs/dbraw/zinc/03/71/59/651037159.db2.gz OGPXTDXHGGGQMQ-MLHJIOFPSA-N 1 1 289.419 2.520 10 0 CFAEMO CCC[C@H]([NH3+])c1nc(-c2ccc(Br)cn2)no1 ZINC000139818784 647201856 /nfs/dbraw/zinc/20/18/56/647201856.db2.gz OZTVOWSNYWLWMX-QMMMGPOBSA-N 1 1 297.156 2.694 10 0 CFAEMO COC(=O)[C@H]1C[N@@H+](Cc2ccc(C)cc2Cl)C[C@H]1C ZINC000300250700 647319558 /nfs/dbraw/zinc/31/95/58/647319558.db2.gz VDZYWZMEOWQFHL-YPMHNXCESA-N 1 1 281.783 2.889 10 0 CFAEMO Cn1cc[nH+]c1Cc1cccc(Br)c1 ZINC000082555397 178090676 /nfs/dbraw/zinc/09/06/76/178090676.db2.gz PEVXLGDIUBLYOE-UHFFFAOYSA-N 1 1 251.127 2.773 10 0 CFAEMO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CCc2ccccc21 ZINC000090223842 282103406 /nfs/dbraw/zinc/10/34/06/282103406.db2.gz CYPOALVIRAWVLQ-GJZGRUSLSA-N 1 1 268.364 2.699 10 0 CFAEMO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000181253539 282105753 /nfs/dbraw/zinc/10/57/53/282105753.db2.gz XMWMEZZWJRCQIO-XHDPSFHLSA-N 1 1 298.390 2.707 10 0 CFAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc(Cl)c2F)C1 ZINC000124693615 187149225 /nfs/dbraw/zinc/14/92/25/187149225.db2.gz YCUGFJVTEFXFOV-MFKMUULPSA-N 1 1 298.789 2.938 10 0 CFAEMO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccsc1 ZINC000090227715 282106903 /nfs/dbraw/zinc/10/69/03/282106903.db2.gz FZZPHHGDYZZKMU-BXKDBHETSA-N 1 1 262.382 2.834 10 0 CFAEMO CCN(CC)[C@@H]1C[N@H+](Cc2cccs2)[C@@H]2CCCO[C@H]12 ZINC000096056320 185078101 /nfs/dbraw/zinc/07/81/01/185078101.db2.gz GJPSTFUGMVIUFD-OAGGEKHMSA-N 1 1 294.464 2.822 10 0 CFAEMO CCN(CC)[C@@H]1C[N@@H+](Cc2cccs2)[C@@H]2CCCO[C@H]12 ZINC000096056320 185078102 /nfs/dbraw/zinc/07/81/02/185078102.db2.gz GJPSTFUGMVIUFD-OAGGEKHMSA-N 1 1 294.464 2.822 10 0 CFAEMO CCCNC(=O)C[N@@H+]1CCCC[C@H]1c1ccc(CC)o1 ZINC000124858641 187157976 /nfs/dbraw/zinc/15/79/76/187157976.db2.gz QRSVRZKDCHNYLF-AWEZNQCLSA-N 1 1 278.396 2.895 10 0 CFAEMO CCCNC(=O)C[N@H+]1CCCC[C@H]1c1ccc(CC)o1 ZINC000124858641 187157977 /nfs/dbraw/zinc/15/79/77/187157977.db2.gz QRSVRZKDCHNYLF-AWEZNQCLSA-N 1 1 278.396 2.895 10 0 CFAEMO Cc1ccc(Br)cc1-c1nnc(C[NH3+])s1 ZINC000083256744 178372218 /nfs/dbraw/zinc/37/22/18/178372218.db2.gz OSDDXFUNRJCXIW-UHFFFAOYSA-N 1 1 284.182 2.735 10 0 CFAEMO C[C@H]1[C@@H](O)CCC[N@H+]1Cc1cccc(Br)c1 ZINC000294970833 199276527 /nfs/dbraw/zinc/27/65/27/199276527.db2.gz IZDYIIAQKUKWJA-GWCFXTLKSA-N 1 1 284.197 2.794 10 0 CFAEMO CC[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2)CCO1 ZINC000125532842 187189357 /nfs/dbraw/zinc/18/93/57/187189357.db2.gz SFGIIHPLJVPNOJ-OAHLLOKOSA-N 1 1 271.364 2.688 10 0 CFAEMO CC[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)CCO1 ZINC000125532842 187189358 /nfs/dbraw/zinc/18/93/58/187189358.db2.gz SFGIIHPLJVPNOJ-OAHLLOKOSA-N 1 1 271.364 2.688 10 0 CFAEMO CC[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2)CCO1 ZINC000125533137 187190093 /nfs/dbraw/zinc/19/00/93/187190093.db2.gz SFGIIHPLJVPNOJ-HNNXBMFYSA-N 1 1 271.364 2.688 10 0 CFAEMO CC[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)CCO1 ZINC000125533137 187190094 /nfs/dbraw/zinc/19/00/94/187190094.db2.gz SFGIIHPLJVPNOJ-HNNXBMFYSA-N 1 1 271.364 2.688 10 0 CFAEMO CC[N@H+]1CCC[C@@H](NC(=O)C[C@@H](C)CC(C)C)C1 ZINC000069392166 346891398 /nfs/dbraw/zinc/89/13/98/346891398.db2.gz HDJMSCBGBKRJSS-UONOGXRCSA-N 1 1 254.418 2.659 10 0 CFAEMO Cc1cc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)ccc1Cl ZINC000126052784 187212999 /nfs/dbraw/zinc/21/29/99/187212999.db2.gz ZQNBWWRAUDRJRD-CQSZACIVSA-N 1 1 292.810 2.959 10 0 CFAEMO Cc1cc(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)ccc1Cl ZINC000126052784 187213000 /nfs/dbraw/zinc/21/30/00/187213000.db2.gz ZQNBWWRAUDRJRD-CQSZACIVSA-N 1 1 292.810 2.959 10 0 CFAEMO Cc1nccnc1N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000290990070 282220708 /nfs/dbraw/zinc/22/07/08/282220708.db2.gz SZSWXMPCAJPKES-ZDUSSCGKSA-N 1 1 270.380 2.717 10 0 CFAEMO CC[NH+]1CCN(C(=O)N[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000073258067 346966535 /nfs/dbraw/zinc/96/65/35/346966535.db2.gz XWGOTVDGZCSFSH-LBPRGKRZSA-N 1 1 295.814 2.748 10 0 CFAEMO CCC(O)(CC)C[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000168319753 282311137 /nfs/dbraw/zinc/31/11/37/282311137.db2.gz HOFBYTQOALLILT-ZNMIVQPWSA-N 1 1 269.429 2.553 10 0 CFAEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1csc(Cl)n1 ZINC000295099459 199344483 /nfs/dbraw/zinc/34/44/83/199344483.db2.gz TWYWWERXZNGOIE-NSHDSACASA-N 1 1 273.833 2.713 10 0 CFAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1noc2c1CCCC2 ZINC000122341004 539454347 /nfs/dbraw/zinc/45/43/47/539454347.db2.gz ZGPPVNRCJHLYDU-ZIAGYGMSSA-N 1 1 289.423 2.612 10 0 CFAEMO C[C@@]1(c2nc(Cc3cccc(F)c3)no2)CCCC[NH2+]1 ZINC000133849555 232211470 /nfs/dbraw/zinc/21/14/70/232211470.db2.gz FFDMWKBKKVBEAE-HNNXBMFYSA-N 1 1 275.327 2.788 10 0 CFAEMO CCn1nccc1C[N@@H+]1CC[C@H](CNc2cccc(C)n2)C1 ZINC000128275075 187361143 /nfs/dbraw/zinc/36/11/43/187361143.db2.gz BJLXNTIMUBIPSF-OAHLLOKOSA-N 1 1 299.422 2.540 10 0 CFAEMO CCn1nccc1C[N@H+]1CC[C@H](CNc2cccc(C)n2)C1 ZINC000128275075 187361144 /nfs/dbraw/zinc/36/11/44/187361144.db2.gz BJLXNTIMUBIPSF-OAHLLOKOSA-N 1 1 299.422 2.540 10 0 CFAEMO CC(C)CCN(C)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000124175066 539528369 /nfs/dbraw/zinc/52/83/69/539528369.db2.gz BNFYTTHIHQAKHS-OAHLLOKOSA-N 1 1 283.460 2.794 10 0 CFAEMO CCc1nnc(C[NH+]2CCC(C)(C(C)C)CC2)n1C ZINC000186200688 232418905 /nfs/dbraw/zinc/41/89/05/232418905.db2.gz RGCQYVFVTDEEDJ-UHFFFAOYSA-N 1 1 264.417 2.636 10 0 CFAEMO C[C@@H](CCON)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000032236590 346301413 /nfs/dbraw/zinc/30/14/13/346301413.db2.gz DUULOANNGVDXOC-VIFPVBQESA-N 1 1 265.744 2.969 10 0 CFAEMO COc1ccc(C[N@@H+](C[C@@H](O)COC(C)C)C(C)C)cc1 ZINC000036102204 346322180 /nfs/dbraw/zinc/32/21/80/346322180.db2.gz LQRQIBGMOLGUBB-MRXNPFEDSA-N 1 1 295.423 2.692 10 0 CFAEMO C[NH2+][C@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000054053162 346558081 /nfs/dbraw/zinc/55/80/81/346558081.db2.gz UMXPPXWWIRNLRL-MRVPVSSYSA-N 1 1 251.717 2.594 10 0 CFAEMO Cc1cc(C)cc(OCC[N@H+]2CCC[C@H]2CCCO)c1 ZINC000052762054 346528758 /nfs/dbraw/zinc/52/87/58/346528758.db2.gz OIOLOCHZKQCZLW-INIZCTEOSA-N 1 1 277.408 2.919 10 0 CFAEMO Cc1cc(C[N@H+]2CCC[C@H](Cn3cncn3)C2)ccc1F ZINC000128474719 187372888 /nfs/dbraw/zinc/37/28/88/187372888.db2.gz CRBOAGOXGSUMER-HNNXBMFYSA-N 1 1 288.370 2.638 10 0 CFAEMO C[N@@H+](Cc1ccccc1)C1CCC2(CC1)OCCO2 ZINC000085871644 179193057 /nfs/dbraw/zinc/19/30/57/179193057.db2.gz YQJYSAUOPQVWDT-UHFFFAOYSA-N 1 1 261.365 2.804 10 0 CFAEMO Cc1ccc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cn1 ZINC000153937494 539559829 /nfs/dbraw/zinc/55/98/29/539559829.db2.gz IRSIEYQLLBCFEV-HZPDHXFCSA-N 1 1 260.381 2.517 10 0 CFAEMO Cc1ccc(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)cc1C ZINC000128608030 187379359 /nfs/dbraw/zinc/37/93/59/187379359.db2.gz LCXVCNXXFKHXHQ-QGZVFWFLSA-N 1 1 284.407 2.807 10 0 CFAEMO Clc1ccc(CN2CC[N@H+]3CCCC[C@@H]3C2)o1 ZINC000092615950 347635343 /nfs/dbraw/zinc/63/53/43/347635343.db2.gz QIRUENDOSRAXHI-LLVKDONJSA-N 1 1 254.761 2.603 10 0 CFAEMO c1cc2c(cccc2C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)[nH]1 ZINC000128602220 187379561 /nfs/dbraw/zinc/37/95/61/187379561.db2.gz CMIJVSKZHIHULS-CQSZACIVSA-N 1 1 295.390 2.672 10 0 CFAEMO CC[C@@H](CC(=O)N[C@@H]1CCC[N@@H+](CC)C1)C(C)C ZINC000104861280 347726485 /nfs/dbraw/zinc/72/64/85/347726485.db2.gz ZITBYRFLNKJGIE-UONOGXRCSA-N 1 1 254.418 2.659 10 0 CFAEMO C[C@H]1C[NH2+][C@@H](c2ccc(Br)cn2)S1 ZINC000130052249 347866453 /nfs/dbraw/zinc/86/64/53/347866453.db2.gz LIWQELMGIFEVEM-IMTBSYHQSA-N 1 1 259.172 2.568 10 0 CFAEMO C[C@H]1CS[C@@H](c2ccc(Br)cn2)[NH2+]1 ZINC000130053919 347866590 /nfs/dbraw/zinc/86/65/90/347866590.db2.gz DWGODSOQPSRWEY-RCOVLWMOSA-N 1 1 259.172 2.568 10 0 CFAEMO C[C@@H]1CC([N@H+]2CCCC3(C2)OCCO3)C[C@@H](C)C1 ZINC000134101643 347895457 /nfs/dbraw/zinc/89/54/57/347895457.db2.gz VGODXGRIAVJQKC-STQMWFEESA-N 1 1 253.386 2.650 10 0 CFAEMO [NH3+]C[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000150029401 347954572 /nfs/dbraw/zinc/95/45/72/347954572.db2.gz ZGHAWIXJFKZUPF-SFHVURJKSA-N 1 1 266.388 2.789 10 0 CFAEMO Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000130355723 539595387 /nfs/dbraw/zinc/59/53/87/539595387.db2.gz MDSGGMYDWBXLBL-BPQIPLTHSA-N 1 1 298.430 2.795 10 0 CFAEMO C[N@H+]1CCC[C@H](Nc2cnn(Cc3ccccc3)c2)CC1 ZINC000086818777 179347436 /nfs/dbraw/zinc/34/74/36/179347436.db2.gz DZBGZVBIXLYTRF-INIZCTEOSA-N 1 1 284.407 2.828 10 0 CFAEMO C[C@@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCCN(C)CC1 ZINC000086818499 179347732 /nfs/dbraw/zinc/34/77/32/179347732.db2.gz KZFLBZPDAGMQKD-GOEBONIOSA-N 1 1 276.424 2.787 10 0 CFAEMO COc1ccc([C@H](C)[NH2+][C@@H]2CCCN(C)CC2)cc1OC ZINC000086818843 179347932 /nfs/dbraw/zinc/34/79/32/179347932.db2.gz ISCGWZFNQUXEEV-DZGCQCFKSA-N 1 1 292.423 2.839 10 0 CFAEMO COc1ccc([C@H](C)N[C@@H]2CCC[N@H+](C)CC2)cc1OC ZINC000086818843 179347933 /nfs/dbraw/zinc/34/79/33/179347933.db2.gz ISCGWZFNQUXEEV-DZGCQCFKSA-N 1 1 292.423 2.839 10 0 CFAEMO COc1ccc([C@H](C)N[C@@H]2CCC[N@@H+](C)CC2)cc1OC ZINC000086818843 179347935 /nfs/dbraw/zinc/34/79/35/179347935.db2.gz ISCGWZFNQUXEEV-DZGCQCFKSA-N 1 1 292.423 2.839 10 0 CFAEMO Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CCCN(C)CC2)s1 ZINC000086818860 179348790 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CFAEMO CCC[N@H+](CC(=O)c1cc(F)ccc1OC)C1CC1 ZINC000037415066 173191969 /nfs/dbraw/zinc/19/19/69/173191969.db2.gz BLUOPSQBSBJLDI-UHFFFAOYSA-N 1 1 265.328 2.891 10 0 CFAEMO CCC[N@@H+](CC(=O)c1cc(F)ccc1OC)C1CC1 ZINC000037415066 173191972 /nfs/dbraw/zinc/19/19/72/173191972.db2.gz BLUOPSQBSBJLDI-UHFFFAOYSA-N 1 1 265.328 2.891 10 0 CFAEMO [NH3+][C@@H](Cc1ccc(O)cc1)c1nc2ccc(F)cc2[nH]1 ZINC000037439142 173209633 /nfs/dbraw/zinc/20/96/33/173209633.db2.gz UDCTUKIRQZJADP-LBPRGKRZSA-N 1 1 271.295 2.650 10 0 CFAEMO Brc1ccc2nc(C[NH2+]C3CC3)[nH]c2c1 ZINC000037474948 173227945 /nfs/dbraw/zinc/22/79/45/173227945.db2.gz DGJDEJHWNQTAIF-UHFFFAOYSA-N 1 1 266.142 2.577 10 0 CFAEMO CC[N@H+]1CC[C@@H](CNc2ccc(Br)cn2)C1 ZINC000037484446 173228836 /nfs/dbraw/zinc/22/88/36/173228836.db2.gz YPTRWUUIELTUHH-JTQLQIEISA-N 1 1 284.201 2.598 10 0 CFAEMO CCC[NH2+][C@@H](c1cnccn1)c1ccccc1OC ZINC000037536097 173255159 /nfs/dbraw/zinc/25/51/59/173255159.db2.gz LCZXDXKGTBJZAM-OAHLLOKOSA-N 1 1 257.337 2.574 10 0 CFAEMO CC[C@H](C)[NH2+][C@@H](C(N)=O)c1ccc(Cl)cc1Cl ZINC000038065331 174076259 /nfs/dbraw/zinc/07/62/59/174076259.db2.gz KWOGOEZEHJZXBN-WRWORJQWSA-N 1 1 275.179 2.908 10 0 CFAEMO COc1ccccc1[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000038137758 174133832 /nfs/dbraw/zinc/13/38/32/174133832.db2.gz BJWSFOUPHLLMRY-INIZCTEOSA-N 1 1 270.376 2.827 10 0 CFAEMO COc1ccccc1[C@@H]([NH3+])CN(C)Cc1ccccc1 ZINC000038137758 174133835 /nfs/dbraw/zinc/13/38/35/174133835.db2.gz BJWSFOUPHLLMRY-INIZCTEOSA-N 1 1 270.376 2.827 10 0 CFAEMO COc1ccc([C@@H](N)C[N@H+](C)Cc2ccccc2)cc1 ZINC000038137750 174133923 /nfs/dbraw/zinc/13/39/23/174133923.db2.gz LSJMHEGRHDNTKX-KRWDZBQOSA-N 1 1 270.376 2.827 10 0 CFAEMO COc1ccc([C@@H](N)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000038137750 174133926 /nfs/dbraw/zinc/13/39/26/174133926.db2.gz LSJMHEGRHDNTKX-KRWDZBQOSA-N 1 1 270.376 2.827 10 0 CFAEMO CC[C@@H]1CN2CCCC[C@@H]2C[N@H+]1C[C@@H](OC)C1CCC1 ZINC000659995070 414646142 /nfs/dbraw/zinc/64/61/42/414646142.db2.gz QOHNCJXROAQRFI-BRWVUGGUSA-N 1 1 280.456 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CC(C)N(CC1CC1)C[C@@H]1[NH2+]CCc2ccccc21 ZINC000043596281 175076767 /nfs/dbraw/zinc/07/67/67/175076767.db2.gz HTEHBUXHXAOCFR-KRWDZBQOSA-N 1 1 258.409 2.994 10 0 CFAEMO CC[N@H+]1CC[C@H](CNc2ccc(N)cc2Br)C1 ZINC000043597069 175077265 /nfs/dbraw/zinc/07/72/65/175077265.db2.gz QFCWNLMJOXBZFA-SNVBAGLBSA-N 1 1 298.228 2.785 10 0 CFAEMO [NH3+][C@H](c1ccco1)c1cccc(I)c1 ZINC000043607002 175078833 /nfs/dbraw/zinc/07/88/33/175078833.db2.gz PXEITFPEFIGTDP-NSHDSACASA-N 1 1 299.111 2.932 10 0 CFAEMO CCOC(=O)[C@@H](C)C[N@@H+](C)[C@@H](C)c1cccs1 ZINC000043615495 175079594 /nfs/dbraw/zinc/07/95/94/175079594.db2.gz IHGPTTDCQQLYNU-QWRGUYRKSA-N 1 1 255.383 2.940 10 0 CFAEMO CN[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc2c(c1)OCO2 ZINC000043804639 175107566 /nfs/dbraw/zinc/10/75/66/175107566.db2.gz RXYXMVAVKJZWDX-NFAWXSAZSA-N 1 1 290.407 2.654 10 0 CFAEMO CCN[C@H]1c2ccc(OC)cc2CC[C@@H]1[NH+]1CCCC1 ZINC000043807496 175108056 /nfs/dbraw/zinc/10/80/56/175108056.db2.gz MEVFTQNVWJFBOV-IRXDYDNUSA-N 1 1 274.408 2.756 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2.973 10 0 CFAEMO CCN[C@@H]1c2ccccc2OC[C@H]1[N@@H+](C)C1CCCC1 ZINC000043884076 175116616 /nfs/dbraw/zinc/11/66/16/175116616.db2.gz DVWDVKPGFBRWKA-NVXWUHKLSA-N 1 1 274.408 2.973 10 0 CFAEMO CCC[N@H+](CC)C[C@H](NC)c1ccc(OC)c(OC)c1 ZINC000043884434 175116642 /nfs/dbraw/zinc/11/66/42/175116642.db2.gz FVEUDLMHQIUMPN-AWEZNQCLSA-N 1 1 280.412 2.696 10 0 CFAEMO CCC[N@@H+](CC)C[C@H](NC)c1ccc(OC)c(OC)c1 ZINC000043884434 175116643 /nfs/dbraw/zinc/11/66/43/175116643.db2.gz FVEUDLMHQIUMPN-AWEZNQCLSA-N 1 1 280.412 2.696 10 0 CFAEMO CN[C@H]1c2ccc(OC)cc2CC[C@@H]1[N@@H+](C)CC(C)C ZINC000043886682 175116694 /nfs/dbraw/zinc/11/66/94/175116694.db2.gz CFFAIHNEFMCMQD-IRXDYDNUSA-N 1 1 276.424 2.858 10 0 CFAEMO C[NH2+][C@H]1c2ccc(OC)cc2CC[C@@H]1N(C)CC(C)C ZINC000043886682 175116695 /nfs/dbraw/zinc/11/66/95/175116695.db2.gz CFFAIHNEFMCMQD-IRXDYDNUSA-N 1 1 276.424 2.858 10 0 CFAEMO CCC[N@H+](C)C[C@H](NCC)c1cc(C)ccc1OC ZINC000043886159 175116738 /nfs/dbraw/zinc/11/67/38/175116738.db2.gz 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/nfs/dbraw/zinc/14/91/76/175149176.db2.gz BKYQQDLMQGNLRD-YYUOFMGYSA-N 1 1 281.440 2.532 10 0 CFAEMO CC[C@H]1CO[C@H](C)C[N@H+]1[C@@H]1CCCc2ccccc2[C@@H]1O ZINC000044175957 175149754 /nfs/dbraw/zinc/14/97/54/175149754.db2.gz DNXPSKCBXURFJU-SIUPPRGNSA-N 1 1 289.419 2.924 10 0 CFAEMO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cc([C@@H](C)O)ccc1OC ZINC000044176026 175150259 /nfs/dbraw/zinc/15/02/59/175150259.db2.gz CWYILVAPTCWSTL-ZENOOKHLSA-N 1 1 293.407 2.748 10 0 CFAEMO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cc([C@@H](C)O)ccc1OC ZINC000044176026 175150261 /nfs/dbraw/zinc/15/02/61/175150261.db2.gz CWYILVAPTCWSTL-ZENOOKHLSA-N 1 1 293.407 2.748 10 0 CFAEMO CCC(CC)[N@@H+](CCOC)[C@@H]1COc2ccccc2[C@@H]1O ZINC000044177857 175150481 /nfs/dbraw/zinc/15/04/81/175150481.db2.gz JMMIHJXWTIQXAP-WBVHZDCISA-N 1 1 293.407 2.618 10 0 CFAEMO Cc1ccc([C@@H](O)[C@@H](C)[N@H+]2CCOCC2(C)C)cc1 ZINC000044178265 175150624 /nfs/dbraw/zinc/15/06/24/175150624.db2.gz YECYXUYKWOAOTL-HIFRSBDPSA-N 1 1 263.381 2.528 10 0 CFAEMO CC1CCC([N@@H+](C)[C@@H]2COc3ccccc3[C@@H]2O)CC1 ZINC000044177996 175150815 /nfs/dbraw/zinc/15/08/15/175150815.db2.gz CYTFSMBIYVWCEF-SGALNCENSA-N 1 1 275.392 2.992 10 0 CFAEMO CCO[C@@H]1CCC[N@H+]([C@@H]2CCCc3ccccc3[C@@H]2O)C1 ZINC000044179825 175150898 /nfs/dbraw/zinc/15/08/98/175150898.db2.gz BIQVMQAWTAUCDF-NXHRZFHOSA-N 1 1 289.419 2.926 10 0 CFAEMO COc1ccccc1[C@@H](O)Cn1cc[nH+]c1C(C)C ZINC000044185327 175152042 /nfs/dbraw/zinc/15/20/42/175152042.db2.gz IVAPCKQRXVLNQM-ZDUSSCGKSA-N 1 1 260.337 2.749 10 0 CFAEMO CCc1[nH+]ccn1[C@H]1CCc2cc(OC)ccc2[C@@H]1O ZINC000044189564 175153133 /nfs/dbraw/zinc/15/31/33/175153133.db2.gz NUNINBLHQVXJJJ-HOCLYGCPSA-N 1 1 272.348 2.675 10 0 CFAEMO CC(C)(C)[C@H]([NH3+])c1noc(COc2ccccc2)n1 ZINC000044376453 175168816 /nfs/dbraw/zinc/16/88/16/175168816.db2.gz FFTXKLGLHJTDDG-GFCCVEGCSA-N 1 1 261.325 2.695 10 0 CFAEMO COCC[N@@H+](CC(=O)c1ccc(F)cc1)CC(C)C ZINC000044412295 175171961 /nfs/dbraw/zinc/17/19/61/175171961.db2.gz CWTSJJCZEQLUFO-UHFFFAOYSA-N 1 1 267.344 2.613 10 0 CFAEMO COCC[N@H+](CC(=O)c1ccc(F)cc1)CC(C)C ZINC000044412295 175171963 /nfs/dbraw/zinc/17/19/63/175171963.db2.gz CWTSJJCZEQLUFO-UHFFFAOYSA-N 1 1 267.344 2.613 10 0 CFAEMO CCC[NH2+][C@H](c1nccn1C)c1cc(OC)ccc1OC ZINC000044482432 175179836 /nfs/dbraw/zinc/17/98/36/175179836.db2.gz BWHXJHWIIGIXNF-HNNXBMFYSA-N 1 1 289.379 2.526 10 0 CFAEMO CC[NH+]1CCC(C[NH2+]Cc2ccc([O-])c(Cl)c2)CC1 ZINC000044517919 175190978 /nfs/dbraw/zinc/19/09/78/175190978.db2.gz IUBCKQJDHYAEFC-UHFFFAOYSA-N 1 1 282.815 2.867 10 0 CFAEMO C[N@H+]1CCC[C@@H](CNc2ccc(N)cc2Cl)C1 ZINC000044535315 175198962 /nfs/dbraw/zinc/19/89/62/175198962.db2.gz JDTXQMCDIGTJMY-JTQLQIEISA-N 1 1 253.777 2.676 10 0 CFAEMO CCOc1cccc(CNC[C@H]2CCCC[N@@H+]2C)c1OC ZINC000044561104 175204873 /nfs/dbraw/zinc/20/48/73/175204873.db2.gz PJCWDWHGIYVVCH-OAHLLOKOSA-N 1 1 292.423 2.668 10 0 CFAEMO CCOc1cccc(CNC[C@H]2CCCC[N@H+]2C)c1OC ZINC000044561104 175204874 /nfs/dbraw/zinc/20/48/74/175204874.db2.gz PJCWDWHGIYVVCH-OAHLLOKOSA-N 1 1 292.423 2.668 10 0 CFAEMO Cc1nc([C@@H](C)NC[C@H]2CCCC[N@H+]2C)c(C)s1 ZINC000044561547 175204899 /nfs/dbraw/zinc/20/48/99/175204899.db2.gz RYUSACHCLHJSGQ-ZWNOBZJWSA-N 1 1 267.442 2.895 10 0 CFAEMO Cc1nc([C@@H](C)[NH2+]C[C@H]2CCCCN2C)c(C)s1 ZINC000044561547 175204900 /nfs/dbraw/zinc/20/49/00/175204900.db2.gz RYUSACHCLHJSGQ-ZWNOBZJWSA-N 1 1 267.442 2.895 10 0 CFAEMO Cc1nc([C@H](C)NC[C@@H]2CCCC[N@H+]2C)c(C)s1 ZINC000044561546 175205126 /nfs/dbraw/zinc/20/51/26/175205126.db2.gz RYUSACHCLHJSGQ-GWCFXTLKSA-N 1 1 267.442 2.895 10 0 CFAEMO Cc1nc([C@H](C)[NH2+]C[C@@H]2CCCCN2C)c(C)s1 ZINC000044561546 175205128 /nfs/dbraw/zinc/20/51/28/175205128.db2.gz RYUSACHCLHJSGQ-GWCFXTLKSA-N 1 1 267.442 2.895 10 0 CFAEMO COc1ccc(OC)c([C@H](C)NC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000044561921 175205515 /nfs/dbraw/zinc/20/55/15/175205515.db2.gz RPKTTXWTXXWWTK-KBPBESRZSA-N 1 1 292.423 2.839 10 0 CFAEMO COc1ccc(OC)c([C@H](C)NC[C@@H]2CCCC[N@H+]2C)c1 ZINC000044561921 175205516 /nfs/dbraw/zinc/20/55/16/175205516.db2.gz RPKTTXWTXXWWTK-KBPBESRZSA-N 1 1 292.423 2.839 10 0 CFAEMO COc1ccc(OC)c([C@H](C)NC[C@H]2CCCC[N@@H+]2C)c1 ZINC000044561923 175206159 /nfs/dbraw/zinc/20/61/59/175206159.db2.gz RPKTTXWTXXWWTK-UONOGXRCSA-N 1 1 292.423 2.839 10 0 CFAEMO COc1ccc(OC)c([C@H](C)NC[C@H]2CCCC[N@H+]2C)c1 ZINC000044561923 175206161 /nfs/dbraw/zinc/20/61/61/175206161.db2.gz RPKTTXWTXXWWTK-UONOGXRCSA-N 1 1 292.423 2.839 10 0 CFAEMO C[N@H+]1CCCC[C@@H]1CNc1ccc(N)c2cccnc12 ZINC000044563514 175206276 /nfs/dbraw/zinc/20/62/76/175206276.db2.gz PSSAEACXCJALTJ-GFCCVEGCSA-N 1 1 270.380 2.713 10 0 CFAEMO C[N@H+]1CCCC[C@@H]1CNc1ccc(N)c2ncccc12 ZINC000044563637 175206665 /nfs/dbraw/zinc/20/66/65/175206665.db2.gz XFNKDNNGJOQHTI-GFCCVEGCSA-N 1 1 270.380 2.713 10 0 CFAEMO Cc1cc([C@H](C)[NH2+]Cc2cc(C(N)=O)ccc2F)c(C)o1 ZINC000044730592 175239914 /nfs/dbraw/zinc/23/99/14/175239914.db2.gz DOAPVKVOALYSHH-JTQLQIEISA-N 1 1 290.338 2.985 10 0 CFAEMO CCC1CCC([N@@H+](C)[C@@](C)(CN)CCOC)CC1 ZINC000045043553 175295588 /nfs/dbraw/zinc/29/55/88/175295588.db2.gz XKJKTSNPDRXJPX-YMAMQOFZSA-N 1 1 256.434 2.641 10 0 CFAEMO COc1ccc(N)cc1NC(=O)CC[N@@H+](C)CC(C)(C)C ZINC000045064671 175299386 /nfs/dbraw/zinc/29/93/86/175299386.db2.gz GHXJNVPJURQKMK-UHFFFAOYSA-N 1 1 293.411 2.584 10 0 CFAEMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C)c(N)c1 ZINC000045064616 175299736 /nfs/dbraw/zinc/29/97/36/175299736.db2.gz RETMDBPUWUMHDD-NSHDSACASA-N 1 1 293.411 2.582 10 0 CFAEMO CN[C@H](C[N@H+](C)CC(C)(C)C)c1ccc(OC)cc1OC ZINC000045072342 175301955 /nfs/dbraw/zinc/30/19/55/175301955.db2.gz NJJJKMGPSZKVTC-OAHLLOKOSA-N 1 1 294.439 2.942 10 0 CFAEMO CN[C@H](C[N@@H+](C)CC(C)(C)C)c1ccc(OC)cc1OC ZINC000045072342 175301956 /nfs/dbraw/zinc/30/19/56/175301956.db2.gz NJJJKMGPSZKVTC-OAHLLOKOSA-N 1 1 294.439 2.942 10 0 CFAEMO C[N@@H+](CCOc1ccc(CC(N)=S)cc1)CC(C)(C)C ZINC000045073826 175302440 /nfs/dbraw/zinc/30/24/40/175302440.db2.gz LXMZUZQSJUPURL-UHFFFAOYSA-N 1 1 294.464 2.872 10 0 CFAEMO CC(C)[N@H+]1CC[C@@H](CNc2ccc3cc(N)ccc3n2)C1 ZINC000045118664 175311422 /nfs/dbraw/zinc/31/14/22/175311422.db2.gz AMCOVZVLNKLNNJ-ZDUSSCGKSA-N 1 1 284.407 2.959 10 0 CFAEMO CCCC[N@@H+](CC[C@](C)(NCCC)C(=O)OC)C1CC1 ZINC000045276359 175346645 /nfs/dbraw/zinc/34/66/45/175346645.db2.gz IYYMOHUKRGZUEI-INIZCTEOSA-N 1 1 284.444 2.572 10 0 CFAEMO CCCC[N@@H+](CC[C@@](C)(NC1CC1)C(=O)OCC)C1CC1 ZINC000045276395 175346670 /nfs/dbraw/zinc/34/66/70/175346670.db2.gz JHPNLXIZSTXHQV-QGZVFWFLSA-N 1 1 296.455 2.715 10 0 CFAEMO CCN[C@@](C)(CC[N@H+]1CCC[C@@H]1C1CCCC1)C(=O)OC ZINC000045277421 175347127 /nfs/dbraw/zinc/34/71/27/175347127.db2.gz PRTXKNWRHVZNOK-WBVHZDCISA-N 1 1 296.455 2.572 10 0 CFAEMO CCOC(=O)[C@](C)(C[N@@H+](CC)CC(CC)CC)NC1CC1 ZINC000045277809 175347149 /nfs/dbraw/zinc/34/71/49/175347149.db2.gz FTZYVDUZKWMYSK-KRWDZBQOSA-N 1 1 298.471 2.818 10 0 CFAEMO CCOC(=O)[C@](C)(CC[N@@H+](CC)CC(CC)CC)NC ZINC000045277839 175348558 /nfs/dbraw/zinc/34/85/58/175348558.db2.gz XOZHQTQTQLMFMY-INIZCTEOSA-N 1 1 286.460 2.676 10 0 CFAEMO CCC1CCC([N@@H+](C)C[C@](C)(NC(C)C)C(=O)OC)CC1 ZINC000045281114 175351971 /nfs/dbraw/zinc/35/19/71/175351971.db2.gz LTDPILPMRSLSLZ-DQPZFDDXSA-N 1 1 298.471 2.817 10 0 CFAEMO CCCC[N@@H+](CC)CCCC[C@](C)(NC)C(=O)OCC ZINC000045370464 175364369 /nfs/dbraw/zinc/36/43/69/175364369.db2.gz ADCLBFLESNUESN-INIZCTEOSA-N 1 1 286.460 2.820 10 0 CFAEMO CC[NH2+][C@](C)(CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(=O)[O-] ZINC000045373219 175365116 /nfs/dbraw/zinc/36/51/16/175365116.db2.gz PLUSCTYXXCAQHX-IJEWVQPXSA-N 1 1 284.444 2.587 10 0 CFAEMO CCN[C@](C)(CCCC[N@H+]1CCCC[C@@H]1C)C(=O)OC ZINC000045376078 175366563 /nfs/dbraw/zinc/36/65/63/175366563.db2.gz DUACBFKLRWOEHS-GOEBONIOSA-N 1 1 284.444 2.572 10 0 CFAEMO CCOC(=O)[C@](C)(CCC[N@@H+](C)CC(C)C)NC(C)C ZINC000045381041 175370075 /nfs/dbraw/zinc/37/00/75/175370075.db2.gz HBNPKMOJUWWWEX-INIZCTEOSA-N 1 1 286.460 2.674 10 0 CFAEMO CC[NH2+][C@@](C)(CCCC[N@@H+](CC)CC(C)C)C(=O)[O-] ZINC000045381637 175370223 /nfs/dbraw/zinc/37/02/23/175370223.db2.gz RIFVODIEGISJQE-HNNXBMFYSA-N 1 1 272.433 2.587 10 0 CFAEMO CCOC(=O)[C@@](C)(CCC[N@@H+](CC)C(C)C)NC1CC1 ZINC000045383905 175370987 /nfs/dbraw/zinc/37/09/87/175370987.db2.gz HYEVVMYHPHSPJY-MRXNPFEDSA-N 1 1 284.444 2.571 10 0 CFAEMO CCC[N@@H+](CCCC[C@@](C)(NC)C(=O)OCC)C1CC1 ZINC000045387428 175372665 /nfs/dbraw/zinc/37/26/65/175372665.db2.gz VXIBQWZFQBYHMI-MRXNPFEDSA-N 1 1 284.444 2.572 10 0 CFAEMO CCC[N@@H+](CCCC[C@@](C)(NCC)C(=O)OC)C1CC1 ZINC000045387443 175372818 /nfs/dbraw/zinc/37/28/18/175372818.db2.gz JYMWVXOPRIYEBT-MRXNPFEDSA-N 1 1 284.444 2.572 10 0 CFAEMO CCC[N@@H+](CC)CCCC[C@](C)(NC1CC1)C(=O)OCC ZINC000045386977 175373392 /nfs/dbraw/zinc/37/33/92/175373392.db2.gz GKIKUKIOLZUPKS-KRWDZBQOSA-N 1 1 298.471 2.962 10 0 CFAEMO CCC(CC)[N@@H+](C)CCC[C@@](C)(NC1CC1)C(=O)OC ZINC000045391669 175374293 /nfs/dbraw/zinc/37/42/93/175374293.db2.gz PQJOEWSIXSUYMC-MRXNPFEDSA-N 1 1 284.444 2.571 10 0 CFAEMO CCC(CC)[N@@H+](C)CCC[C@@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045391540 175374657 /nfs/dbraw/zinc/37/46/57/175374657.db2.gz VPMHRLALKZVQPM-OAHLLOKOSA-N 1 1 272.433 2.728 10 0 CFAEMO CCN[C@@](C)(CCCC[N@@H+](CC)C1CCCC1)C(=O)OC ZINC000045390490 175375013 /nfs/dbraw/zinc/37/50/13/175375013.db2.gz CQDJXBGUNGCGQH-KRWDZBQOSA-N 1 1 298.471 2.962 10 0 CFAEMO CCOC(=O)[C@](C)(CCC[N@@H+](C)[C@@H](C)C1CC1)NC(C)C ZINC000045393067 175375767 /nfs/dbraw/zinc/37/57/67/175375767.db2.gz MESGRUNKXWSCHA-YOEHRIQHSA-N 1 1 298.471 2.817 10 0 CFAEMO CCC[NH2+][C@@](C)(CCC[N@@H+](C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000045421007 175380286 /nfs/dbraw/zinc/38/02/86/175380286.db2.gz QHSAKJQSPJHJQH-BBRMVZONSA-N 1 1 286.460 2.976 10 0 CFAEMO CCCC[N@@H+](CCC[C@@](C)([NH2+]C(C)C)C(=O)[O-])C1CC1 ZINC000045421758 175380425 /nfs/dbraw/zinc/38/04/25/175380425.db2.gz WSJBASWZAZKCLT-MRXNPFEDSA-N 1 1 284.444 2.872 10 0 CFAEMO C[N@@H+](CCCc1ccccc1)C[C@H](O)COC(C)(C)C ZINC000046087786 175392370 /nfs/dbraw/zinc/39/23/70/175392370.db2.gz PCGOBLRAWYBJOS-INIZCTEOSA-N 1 1 279.424 2.727 10 0 CFAEMO [NH3+][C@H](CCc1nc2ccncc2[nH]1)c1ccccc1 ZINC000071166669 176048841 /nfs/dbraw/zinc/04/88/41/176048841.db2.gz XNLFISGOPQFGBA-GFCCVEGCSA-N 1 1 252.321 2.591 10 0 CFAEMO [NH3+][C@H](CCc1nc2cnccc2[nH]1)c1ccccc1 ZINC000071166669 176048843 /nfs/dbraw/zinc/04/88/43/176048843.db2.gz XNLFISGOPQFGBA-GFCCVEGCSA-N 1 1 252.321 2.591 10 0 CFAEMO CC[C@H](C)[N@@H+](C)Cc1ccc(F)cc1C(N)=S ZINC000071265751 176099280 /nfs/dbraw/zinc/09/92/80/176099280.db2.gz RHQKCDBKICLEBT-VIFPVBQESA-N 1 1 254.374 2.690 10 0 CFAEMO CCCc1ccc(/C=C/CC[NH+]2CCNCC2)cc1 ZINC000071584801 176209845 /nfs/dbraw/zinc/20/98/45/176209845.db2.gz KUNPIZBWFSCHFV-ZZXKWVIFSA-N 1 1 258.409 2.948 10 0 CFAEMO CC(C)COc1ccc([C@@H]([NH3+])CN2CCCC2)cc1 ZINC000071594613 176217659 /nfs/dbraw/zinc/21/76/59/176217659.db2.gz ASEWYPXFOHHTRP-INIZCTEOSA-N 1 1 262.397 2.817 10 0 CFAEMO Cc1cc(C(C)(C)C)cc(C)c1CCOC(=O)C[NH3+] ZINC000076363671 177003552 /nfs/dbraw/zinc/00/35/52/177003552.db2.gz WQPKIGGZKSYGCX-UHFFFAOYSA-N 1 1 263.381 2.645 10 0 CFAEMO C[C@@]1(c2cc(Br)cs2)CC(=O)CC[NH2+]1 ZINC000076420408 177023560 /nfs/dbraw/zinc/02/35/60/177023560.db2.gz PNWHXKDFCKTDJZ-JTQLQIEISA-N 1 1 274.183 2.678 10 0 CFAEMO C[N@H+](CCc1ccncc1)CC[C@@H]1NCCc2ccccc21 ZINC000076567865 177039563 /nfs/dbraw/zinc/03/95/63/177039563.db2.gz AFUGTYOGSFYNAH-IBGZPJMESA-N 1 1 295.430 2.833 10 0 CFAEMO CN(CCc1ccncc1)CC[C@@H]1[NH2+]CCc2ccccc21 ZINC000076567865 177039564 /nfs/dbraw/zinc/03/95/64/177039564.db2.gz AFUGTYOGSFYNAH-IBGZPJMESA-N 1 1 295.430 2.833 10 0 CFAEMO CC1(C)CC[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000076697554 177060939 /nfs/dbraw/zinc/06/09/39/177060939.db2.gz IIYDMQNCWMPTCT-HZPDHXFCSA-N 1 1 258.409 2.897 10 0 CFAEMO Cc1ccc(Br)cc1C[N@H+]1CC[C@H](CCO)C1 ZINC000313587686 260304023 /nfs/dbraw/zinc/30/40/23/260304023.db2.gz NRXOCMDYCQNJFH-GFCCVEGCSA-N 1 1 298.224 2.962 10 0 CFAEMO O=C(c1ccc2c(c1)CCCC2)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000195084505 270250012 /nfs/dbraw/zinc/25/00/12/270250012.db2.gz RLSCSVHJRUUVGS-SFHVURJKSA-N 1 1 298.430 2.876 10 0 CFAEMO CC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)cs2)C1 ZINC000194331050 270244240 /nfs/dbraw/zinc/24/42/40/270244240.db2.gz XHPSEZYURGRWME-NSHDSACASA-N 1 1 272.801 2.502 10 0 CFAEMO CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)cs2)C1 ZINC000194331050 270244241 /nfs/dbraw/zinc/24/42/41/270244241.db2.gz XHPSEZYURGRWME-NSHDSACASA-N 1 1 272.801 2.502 10 0 CFAEMO CC[N@H+]1CCC[C@H](NC(=O)Nc2cc(C)ccc2OC)C1 ZINC000194317712 270244362 /nfs/dbraw/zinc/24/43/62/270244362.db2.gz LBGZLEYZMIEFBP-ZDUSSCGKSA-N 1 1 291.395 2.609 10 0 CFAEMO C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000250415911 270273187 /nfs/dbraw/zinc/27/31/87/270273187.db2.gz AMAXHKHJIKQNGH-KFWWJZLASA-N 1 1 292.810 2.654 10 0 CFAEMO COC(=O)[C@@H](C)C[N@@H+](C)C[C@@H]1CCCCC1(F)F ZINC000394611818 270309008 /nfs/dbraw/zinc/30/90/08/270309008.db2.gz BLXNLMJWWFEBCW-QWRGUYRKSA-N 1 1 263.328 2.553 10 0 CFAEMO COC(=O)[C@H](C)C[N@@H+](C)C[C@@H]1CCCCC1(F)F ZINC000394611817 270309207 /nfs/dbraw/zinc/30/92/07/270309207.db2.gz 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OXYIIRQEQPKXMM-MNOVXSKESA-N 1 1 296.415 2.672 10 0 CFAEMO C[NH+](C)CC(=O)Nc1ccc(NCCc2ccccc2)cc1 ZINC000109626800 634138554 /nfs/dbraw/zinc/13/85/54/634138554.db2.gz GAARCBWVXABFQT-UHFFFAOYSA-N 1 1 297.402 2.841 10 0 CFAEMO CCCCC[C@H](C)NC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113577229 635618416 /nfs/dbraw/zinc/61/84/16/635618416.db2.gz SQVPSVMQKDOSMS-SOUVJXGZSA-N 1 1 281.444 2.833 10 0 CFAEMO CCCCC[N@@H+](CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)C(C)C ZINC000116256607 636323229 /nfs/dbraw/zinc/32/32/29/636323229.db2.gz YJAKOQJVYRWSBB-GASCZTMLSA-N 1 1 292.423 2.796 10 0 CFAEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)OCC1CC1 ZINC000189798490 650396687 /nfs/dbraw/zinc/39/66/87/650396687.db2.gz ZEZLYWZSDDNFNY-ZDUSSCGKSA-N 1 1 276.380 2.643 10 0 CFAEMO C[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)[C@H]1CCCO1 ZINC000190755203 650456699 /nfs/dbraw/zinc/45/66/99/650456699.db2.gz APRDIFFTWVPMCI-PRHODGIISA-N 1 1 273.735 2.842 10 0 CFAEMO C[C@@H]1C[N@@H+](Cc2cc(Cl)nc3ccccc23)C[C@H]1CO ZINC000190843583 650464079 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COc1ccc(CC[N@H+]2CCC[C@H](C(C)=O)C2)cc1 ZINC000113651878 647825702 /nfs/dbraw/zinc/82/57/02/647825702.db2.gz VTSUVQKDXAFAMI-HNNXBMFYSA-N 1 1 261.365 2.539 10 0 CFAEMO Cc1nc(C[NH3+])[nH]c1-c1ccc(Br)s1 ZINC000082577203 178118088 /nfs/dbraw/zinc/11/80/88/178118088.db2.gz JLJOOLMNMCGROY-UHFFFAOYSA-N 1 1 272.171 2.668 10 0 CFAEMO CC(C)c1[nH+]c2c(Br)cccn2c1N ZINC000082695913 178192596 /nfs/dbraw/zinc/19/25/96/178192596.db2.gz QVDLEWCNMKBGPM-UHFFFAOYSA-N 1 1 254.131 2.802 10 0 CFAEMO Cc1[nH+]c(N)ccc1-c1cnn(-c2ccccc2)c1 ZINC000082730183 178247456 /nfs/dbraw/zinc/24/74/56/178247456.db2.gz VKHGGVREBNYGQO-UHFFFAOYSA-N 1 1 250.305 2.825 10 0 CFAEMO Cc1cc(N)[nH+]cc1-c1cnn(-c2ccccc2)c1 ZINC000082730122 178247605 /nfs/dbraw/zinc/24/76/05/178247605.db2.gz VXUAUBASEIVCEY-UHFFFAOYSA-N 1 1 250.305 2.825 10 0 CFAEMO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1cccs1 ZINC000125179841 187173682 /nfs/dbraw/zinc/17/36/82/187173682.db2.gz HPJGFOIHHLZCFU-WDEREUQCSA-N 1 1 292.408 2.672 10 0 CFAEMO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@H]1CCc2ccccc21 ZINC000125184032 187173687 /nfs/dbraw/zinc/17/36/87/187173687.db2.gz KBDSSTPXHITYNG-LSDHHAIUSA-N 1 1 298.390 2.537 10 0 CFAEMO C[N@@H+](CCn1cccn1)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000125291738 187178168 /nfs/dbraw/zinc/17/81/68/187178168.db2.gz FINWWJHNPTUWOS-UHFFFAOYSA-N 1 1 299.353 2.544 10 0 CFAEMO C[C@@H]([NH3+])c1cnc(Cc2cccc(Br)c2)[nH]1 ZINC000096978560 185145608 /nfs/dbraw/zinc/14/56/08/185145608.db2.gz JDNPRYILUSTYEK-MRVPVSSYSA-N 1 1 280.169 2.783 10 0 CFAEMO Cc1cccc2nc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)[nH]c21 ZINC000097034824 185157685 /nfs/dbraw/zinc/15/76/85/185157685.db2.gz WXZQTUJEFJSCSV-VUCTXSBTSA-N 1 1 297.402 2.919 10 0 CFAEMO O=C([C@@H]1C[C@H]2C[C@H]2C1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000323964921 539327388 /nfs/dbraw/zinc/32/73/88/539327388.db2.gz URRIPSXJDMZMNE-BCDXTJNWSA-N 1 1 298.430 2.767 10 0 CFAEMO CNC(=O)c1cccc(C[N@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000116289006 529946542 /nfs/dbraw/zinc/94/65/42/529946542.db2.gz PCFXIMPKIUETPZ-OAHLLOKOSA-N 1 1 284.359 2.976 10 0 CFAEMO CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@@H](O)COCc1ccccc1 ZINC000075021432 347048442 /nfs/dbraw/zinc/04/84/42/347048442.db2.gz SDMCPYQAFBJLAP-DJIMGWMZSA-N 1 1 277.408 2.685 10 0 CFAEMO C[C@@H]1[C@H](O)CCC[N@H+]1Cc1cc(Cl)cc2c1OCC2 ZINC000295115452 199353309 /nfs/dbraw/zinc/35/33/09/199353309.db2.gz WSFSTNKMHDPTKD-QMTHXVAHSA-N 1 1 281.783 2.620 10 0 CFAEMO C[C@@H]([NH2+]Cc1cnc(N(C)C)n1C)c1cc(F)ccc1F ZINC000070143079 539486252 /nfs/dbraw/zinc/48/62/52/539486252.db2.gz DYZZZGBZXVABMO-SNVBAGLBSA-N 1 1 294.349 2.615 10 0 CFAEMO Clc1ccccc1CCN1CC[N@H+]2CCC[C@@H]2C1 ZINC000178638311 232384323 /nfs/dbraw/zinc/38/43/23/232384323.db2.gz QSLWBCOYXUSRDX-CQSZACIVSA-N 1 1 264.800 2.663 10 0 CFAEMO C[N@H+]1CC[C@H](N(C(=O)Cc2ccccc2)c2ccccc2)C1 ZINC000002015315 346207204 /nfs/dbraw/zinc/20/72/04/346207204.db2.gz YZMFZLXHHWHFMV-SFHVURJKSA-N 1 1 294.398 2.966 10 0 CFAEMO COc1ccccc1[C@]1(O)CC[C@H]2CCCC[N@H+]2C1 ZINC000033756171 346312876 /nfs/dbraw/zinc/31/28/76/346312876.db2.gz MKWYEGYQAGEDHH-CJNGLKHVSA-N 1 1 261.365 2.531 10 0 CFAEMO Cc1cc(C)cc(OCC[N@H+]2CCC[C@@H]2CCCO)c1 ZINC000052762053 346528081 /nfs/dbraw/zinc/52/80/81/346528081.db2.gz OIOLOCHZKQCZLW-MRXNPFEDSA-N 1 1 277.408 2.919 10 0 CFAEMO CCCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000067361040 346799615 /nfs/dbraw/zinc/79/96/15/346799615.db2.gz MCJRXCLOILWLQS-MRXNPFEDSA-N 1 1 274.408 2.957 10 0 CFAEMO Cn1cc([C@@H]2CC[N@@H+](CC3=Cc4ccccc4OC3)C2)cn1 ZINC000128457594 187371907 /nfs/dbraw/zinc/37/19/07/187371907.db2.gz DYTCDOPBYBHWDY-MRXNPFEDSA-N 1 1 295.386 2.685 10 0 CFAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1ncccc1Br ZINC000094466472 347695641 /nfs/dbraw/zinc/69/56/41/347695641.db2.gz FEGWLWASFOZJGP-WDEREUQCSA-N 1 1 296.212 2.517 10 0 CFAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(Cl)o1 ZINC000093437229 347673901 /nfs/dbraw/zinc/67/39/01/347673901.db2.gz JNDNTLIZXHQOTD-WDEREUQCSA-N 1 1 254.761 2.602 10 0 CFAEMO C[C@]1(c2cc(F)cc(F)c2)C[NH2+]C2(CCCCC2)C(=O)N1 ZINC000114959250 347776493 /nfs/dbraw/zinc/77/64/93/347776493.db2.gz RJMMWIFGMUUQPZ-OAHLLOKOSA-N 1 1 294.345 2.602 10 0 CFAEMO OCc1ccc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000116177038 347785346 /nfs/dbraw/zinc/78/53/46/347785346.db2.gz ZVEZQYMWBIQJAZ-GOSISDBHSA-N 1 1 283.371 2.752 10 0 CFAEMO Nc1ccc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000116484008 347786822 /nfs/dbraw/zinc/78/68/22/347786822.db2.gz YCDSGRHGEAONJT-CQSZACIVSA-N 1 1 253.349 2.653 10 0 CFAEMO Nc1ccc([C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000116484010 347786952 /nfs/dbraw/zinc/78/69/52/347786952.db2.gz YCDSGRHGEAONJT-AWEZNQCLSA-N 1 1 253.349 2.653 10 0 CFAEMO CC(C)[N@@H+](C)CC[C@@H]([NH3+])CSc1ccccc1 ZINC000116469889 347787183 /nfs/dbraw/zinc/78/71/83/347787183.db2.gz VYAWLYBKURKNEV-CYBMUJFWSA-N 1 1 252.427 2.836 10 0 CFAEMO CC(C)[N@H+](C)CC[C@@H](N)CSc1ccccc1 ZINC000116469889 347787188 /nfs/dbraw/zinc/78/71/88/347787188.db2.gz VYAWLYBKURKNEV-CYBMUJFWSA-N 1 1 252.427 2.836 10 0 CFAEMO CC(C)[N@@H+](C)CC[C@@H](N)CSc1ccccc1 ZINC000116469889 347787193 /nfs/dbraw/zinc/78/71/93/347787193.db2.gz VYAWLYBKURKNEV-CYBMUJFWSA-N 1 1 252.427 2.836 10 0 CFAEMO C[C@@H]1C[NH2+][C@H](c2ccc(Br)cn2)S1 ZINC000130051663 347866535 /nfs/dbraw/zinc/86/65/35/347866535.db2.gz LIWQELMGIFEVEM-MUWHJKNJSA-N 1 1 259.172 2.568 10 0 CFAEMO [NH3+][C@H](c1cccs1)c1ncccc1Br ZINC000133176316 347890048 /nfs/dbraw/zinc/89/00/48/347890048.db2.gz NXJUJRSJVBCTEX-SECBINFHSA-N 1 1 269.167 2.954 10 0 CFAEMO [NH3+]CC(F)(F)c1ccc(Br)cc1F ZINC000137041771 347912081 /nfs/dbraw/zinc/91/20/81/347912081.db2.gz SICMMCJDQNYFGY-UHFFFAOYSA-N 1 1 254.049 2.639 10 0 CFAEMO c1ccc(C[N@H+]2CCC[C@@]3(C2)NCCCS3)cc1 ZINC000159145641 348010240 /nfs/dbraw/zinc/01/02/40/348010240.db2.gz AODLSCWKDXLVAX-OAHLLOKOSA-N 1 1 262.422 2.705 10 0 CFAEMO c1ccc(CN2CCC[C@@]3(C2)[NH2+]CCCS3)cc1 ZINC000159145641 348010242 /nfs/dbraw/zinc/01/02/42/348010242.db2.gz AODLSCWKDXLVAX-OAHLLOKOSA-N 1 1 262.422 2.705 10 0 CFAEMO c1ccc(C[N@H+]2CCC[C@]3(C2)NCCCS3)cc1 ZINC000159145790 348010779 /nfs/dbraw/zinc/01/07/79/348010779.db2.gz AODLSCWKDXLVAX-HNNXBMFYSA-N 1 1 262.422 2.705 10 0 CFAEMO c1ccc(CN2CCC[C@]3(C2)[NH2+]CCCS3)cc1 ZINC000159145790 348010783 /nfs/dbraw/zinc/01/07/83/348010783.db2.gz AODLSCWKDXLVAX-HNNXBMFYSA-N 1 1 262.422 2.705 10 0 CFAEMO CCC[C@@]1(C(=O)[O-])CCC[N@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC000086785623 179331741 /nfs/dbraw/zinc/33/17/41/179331741.db2.gz ZORVCPNSQFIFRI-QGZVFWFLSA-N 1 1 296.455 2.826 10 0 CFAEMO CCCc1[nH]c2c(cc(Br)cc2N)[nH+]1 ZINC000160391336 348018150 /nfs/dbraw/zinc/01/81/50/348018150.db2.gz LYXXTGUSWRSZNY-UHFFFAOYSA-N 1 1 254.131 2.860 10 0 CFAEMO C[N@H+]1CCC[C@H](Nc2cccc(-c3cc[nH]n3)c2)CC1 ZINC000086818481 179347301 /nfs/dbraw/zinc/34/73/01/179347301.db2.gz CRNDLXXAEOSANI-AWEZNQCLSA-N 1 1 270.380 2.973 10 0 CFAEMO C[N@H+]1CCC[C@H](Nc2cccc(Cn3cccn3)c2)CC1 ZINC000086818401 179347420 /nfs/dbraw/zinc/34/74/20/179347420.db2.gz GNMPTXUFUJEROP-INIZCTEOSA-N 1 1 284.407 2.828 10 0 CFAEMO CCOCc1ccccc1CN[C@@H]1CCC[N@H+](C)CC1 ZINC000086818621 179347475 /nfs/dbraw/zinc/34/74/75/179347475.db2.gz CVKJTHOGLARRJZ-QGZVFWFLSA-N 1 1 276.424 2.797 10 0 CFAEMO CCOCc1ccccc1CN[C@@H]1CCC[N@@H+](C)CC1 ZINC000086818621 179347478 /nfs/dbraw/zinc/34/74/78/179347478.db2.gz CVKJTHOGLARRJZ-QGZVFWFLSA-N 1 1 276.424 2.797 10 0 CFAEMO CCOCc1ccccc1C[NH2+][C@@H]1CCCN(C)CC1 ZINC000086818621 179347481 /nfs/dbraw/zinc/34/74/81/179347481.db2.gz CVKJTHOGLARRJZ-QGZVFWFLSA-N 1 1 276.424 2.797 10 0 CFAEMO Cc1ccc(OC[C@H](C)[NH2+][C@@H]2CCCN(C)CC2)cc1 ZINC000086818854 179347914 /nfs/dbraw/zinc/34/79/14/179347914.db2.gz PVHSENGPMZWTFL-JKSUJKDBSA-N 1 1 276.424 2.836 10 0 CFAEMO CN1CCC[C@H]([NH2+]Cc2cc3c(s2)CCC3)CC1 ZINC000086818865 179348339 /nfs/dbraw/zinc/34/83/39/179348339.db2.gz ZFTZNZKDJUYNJV-ZDUSSCGKSA-N 1 1 264.438 2.811 10 0 CFAEMO C[C@@H](Cc1ccsc1)[NH2+][C@@H]1CCCN(C)CC1 ZINC000086818909 179348705 /nfs/dbraw/zinc/34/87/05/179348705.db2.gz QHBPARPAIRMUGX-GXTWGEPZSA-N 1 1 252.427 2.753 10 0 CFAEMO Cc1cc2ccccc2nc1NCC(F)(F)C[NH3+] ZINC000162691147 348030984 /nfs/dbraw/zinc/03/09/84/348030984.db2.gz FREQBGMIEMGRGX-UHFFFAOYSA-N 1 1 251.280 2.549 10 0 CFAEMO CC(=O)Nc1cccc([C@@H](C)N[C@@H]2CCC[N@H+](C)CC2)c1 ZINC000086817406 179344643 /nfs/dbraw/zinc/34/46/43/179344643.db2.gz MWLCTOBQSLGYKP-CZUORRHYSA-N 1 1 289.423 2.780 10 0 CFAEMO CC(=O)Nc1cccc([C@@H](C)N[C@@H]2CCC[N@@H+](C)CC2)c1 ZINC000086817406 179344645 /nfs/dbraw/zinc/34/46/45/179344645.db2.gz MWLCTOBQSLGYKP-CZUORRHYSA-N 1 1 289.423 2.780 10 0 CFAEMO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H]2CCCN(C)CC2)c1 ZINC000086817406 179344646 /nfs/dbraw/zinc/34/46/46/179344646.db2.gz MWLCTOBQSLGYKP-CZUORRHYSA-N 1 1 289.423 2.780 10 0 CFAEMO COc1ccccc1[C@@H](C)N[C@H]1CCC[N@@H+](C)CC1 ZINC000086817222 179344932 /nfs/dbraw/zinc/34/49/32/179344932.db2.gz KBLLZMCCJXEKGR-KGLIPLIRSA-N 1 1 262.397 2.830 10 0 CFAEMO CN1CCC[C@@H]([NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000086817240 179345262 /nfs/dbraw/zinc/34/52/62/179345262.db2.gz LRWUAQVOFALFPT-OAHLLOKOSA-N 1 1 266.816 2.956 10 0 CFAEMO Cc1nc(-c2ccccc2N[C@@H]2CCC[N@H+](C)CC2)n[nH]1 ZINC000086817927 179345821 /nfs/dbraw/zinc/34/58/21/179345821.db2.gz ZSXKTNIADFMJRV-CYBMUJFWSA-N 1 1 285.395 2.676 10 0 CFAEMO CC(=O)Nc1cc(N[C@@H]2CCC[N@H+](C)CC2)ccc1C ZINC000086818359 179346578 /nfs/dbraw/zinc/34/65/78/179346578.db2.gz WIKGNZQFNIGIGY-CQSZACIVSA-N 1 1 275.396 2.850 10 0 CFAEMO CC[N@@H+]1CCC[C@@H](N[C@@H](C)c2cccc(O)c2)CC1 ZINC000086840430 179352551 /nfs/dbraw/zinc/35/25/51/179352551.db2.gz BAJDKKYVMWSVLA-DZGCQCFKSA-N 1 1 262.397 2.917 10 0 CFAEMO CC[N@H+]1CCC[C@@H](N[C@@H](C)c2cccc(O)c2)CC1 ZINC000086840430 179352552 /nfs/dbraw/zinc/35/25/52/179352552.db2.gz BAJDKKYVMWSVLA-DZGCQCFKSA-N 1 1 262.397 2.917 10 0 CFAEMO COC(=O)[C@]1(Nc2ccccc2)CCC[N@H+](C(C)C)CC1 ZINC000086849924 179357702 /nfs/dbraw/zinc/35/77/02/179357702.db2.gz LACQYOSMWXSKKA-KRWDZBQOSA-N 1 1 290.407 2.905 10 0 CFAEMO CCC[N@H+]1CCC[C@](O)(c2ccc(OC)cc2OC)CC1 ZINC000086852792 179359570 /nfs/dbraw/zinc/35/95/70/179359570.db2.gz OWBYHLQRRFUPHK-QGZVFWFLSA-N 1 1 293.407 2.787 10 0 CFAEMO CCC[N@H+]1CCC[C@](CO)(Nc2ccc(OC)cc2)CC1 ZINC000086867942 179360094 /nfs/dbraw/zinc/36/00/94/179360094.db2.gz UNLVBBJAIKUODT-KRWDZBQOSA-N 1 1 292.423 2.734 10 0 CFAEMO CCCN1CCC[C@](CC(=O)OCC)([NH+](CC)CC)CC1 ZINC000086868552 179360475 /nfs/dbraw/zinc/36/04/75/179360475.db2.gz WQAUMWYZYIXJLE-KRWDZBQOSA-N 1 1 298.471 2.916 10 0 CFAEMO CC(C)[N@H+]1CCC[C@@](CC(=O)[O-])([NH+]2CCCCCC2)CC1 ZINC000086868445 179360961 /nfs/dbraw/zinc/36/09/61/179360961.db2.gz HSVOSEJZGITCRD-QGZVFWFLSA-N 1 1 296.455 2.970 10 0 CFAEMO CC1=[N+](O)[C@](C)(c2ccc(C)cc2)[N+]([O-])=C1c1ccccc1 ZINC000225412360 348177697 /nfs/dbraw/zinc/17/76/97/348177697.db2.gz HJBZIJGTDHMTDM-SFHVURJKSA-N 1 1 296.370 2.935 10 0 CFAEMO CCC[C@@]1(C(=O)[O-])CC[N@H+]([C@@H]2CCC[NH+](C(C)C)CC2)C1 ZINC000086869129 179362805 /nfs/dbraw/zinc/36/28/05/179362805.db2.gz YSQUCSHGXHUJTM-NVXWUHKLSA-N 1 1 296.455 2.826 10 0 CFAEMO CCC[C@@]1(C(=O)[O-])CC[NH+]([C@@H]2CCC[N@@H+](C(C)C)CC2)C1 ZINC000086869129 179362807 /nfs/dbraw/zinc/36/28/07/179362807.db2.gz YSQUCSHGXHUJTM-NVXWUHKLSA-N 1 1 296.455 2.826 10 0 CFAEMO CCC[C@@]1(C(=O)[O-])CC[NH+]([C@@H]2CCC[N@H+](C(C)C)CC2)C1 ZINC000086869129 179362808 /nfs/dbraw/zinc/36/28/08/179362808.db2.gz YSQUCSHGXHUJTM-NVXWUHKLSA-N 1 1 296.455 2.826 10 0 CFAEMO CCOC(=O)[C@]1(Nc2ccccc2)CCC[N@@H+](CC)CC1 ZINC000086849935 179358061 /nfs/dbraw/zinc/35/80/61/179358061.db2.gz NBPQFRKLIDPMKS-KRWDZBQOSA-N 1 1 290.407 2.906 10 0 CFAEMO CCC[N@H+]1CCC[C@](N)(c2nc(C)cs2)CC1 ZINC000086851299 179359412 /nfs/dbraw/zinc/35/94/12/179359412.db2.gz KOAKIOPYULSOJV-CYBMUJFWSA-N 1 1 253.415 2.501 10 0 CFAEMO CC[N@@H+]1CCC[C@H](N[C@H](COC)c2ccc(F)c(F)c2)C1 ZINC000246106226 348261306 /nfs/dbraw/zinc/26/13/06/348261306.db2.gz ZDBLLESIYNCUIS-XJKSGUPXSA-N 1 1 298.377 2.726 10 0 CFAEMO CC[N@H+]1CCC[C@H](N[C@H](COC)c2ccc(F)c(F)c2)C1 ZINC000246106226 348261310 /nfs/dbraw/zinc/26/13/10/348261310.db2.gz ZDBLLESIYNCUIS-XJKSGUPXSA-N 1 1 298.377 2.726 10 0 CFAEMO C[C@@H]1CN[C@@]2(C[C@@H](C)[N@H+](Cc3ccccc3)C2)S1 ZINC000306164275 348384358 /nfs/dbraw/zinc/38/43/58/348384358.db2.gz ORGCEPNSGSBEEA-NFAWXSAZSA-N 1 1 262.422 2.702 10 0 CFAEMO C[C@@H]1CN[C@@]2(C[C@@H](C)[N@@H+](Cc3ccccc3)C2)S1 ZINC000306164275 348384359 /nfs/dbraw/zinc/38/43/59/348384359.db2.gz ORGCEPNSGSBEEA-NFAWXSAZSA-N 1 1 262.422 2.702 10 0 CFAEMO C[C@H]1[N@@H+](Cc2ccccc2)CC[C@@]12NCCCS2 ZINC000306241274 348385415 /nfs/dbraw/zinc/38/54/15/348385415.db2.gz UUHQQXOIRWPAGH-HIFRSBDPSA-N 1 1 262.422 2.704 10 0 CFAEMO C[C@H]1N(Cc2ccccc2)CC[C@@]12[NH2+]CCCS2 ZINC000306241274 348385416 /nfs/dbraw/zinc/38/54/16/348385416.db2.gz UUHQQXOIRWPAGH-HIFRSBDPSA-N 1 1 262.422 2.704 10 0 CFAEMO CC1(C)C[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C(=O)O1 ZINC000307569969 348400871 /nfs/dbraw/zinc/40/08/71/348400871.db2.gz YGSKJVIZAROCQJ-KRWDZBQOSA-N 1 1 273.376 2.994 10 0 CFAEMO C[N@H+](Cc1ccc2c(c1)CCO2)C[C@@H]1CCc2nccn2C1 ZINC000328636141 348441713 /nfs/dbraw/zinc/44/17/13/348441713.db2.gz 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DMNLRFFUJLEVLT-MSOLQXFVSA-N 1 1 299.418 2.698 10 0 CFAEMO Cc1nccn1C[C@H]1CCC[N@H+]1CCOc1ccccc1 ZINC000178321075 189107076 /nfs/dbraw/zinc/10/70/76/189107076.db2.gz LVWKJKHKIIQKGK-MRXNPFEDSA-N 1 1 285.391 2.735 10 0 CFAEMO Cc1cccc2nc(C[N@H+]3CC[C@]4(O)CCCC[C@@H]4C3)cn21 ZINC000178703927 189138983 /nfs/dbraw/zinc/13/89/83/189138983.db2.gz HDKNRJLIIVPWBJ-CRAIPNDOSA-N 1 1 299.418 2.770 10 0 CFAEMO Cc1cccc2nc(C[N@H+]3CC[C@@]4(O)CCCC[C@@H]4C3)cn21 ZINC000178703946 189139054 /nfs/dbraw/zinc/13/90/54/189139054.db2.gz HDKNRJLIIVPWBJ-QAPCUYQASA-N 1 1 299.418 2.770 10 0 CFAEMO Cc1cccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1Cl ZINC000179085960 189167793 /nfs/dbraw/zinc/16/77/93/189167793.db2.gz ABPGWOIKUIRXLY-STQMWFEESA-N 1 1 292.810 2.957 10 0 CFAEMO CCC[C@@H]1CCC[N@H+](Cc2nnc(C(C)C)n2C)C1 ZINC000177040404 540853022 /nfs/dbraw/zinc/85/30/22/540853022.db2.gz XNRAWGBWYKHGRC-CYBMUJFWSA-N 1 1 264.417 2.951 10 0 CFAEMO CCC[C@@H]1CCC[N@@H+](Cc2nnc(C(C)C)n2C)C1 ZINC000177040404 540853025 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C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cccc(O)c1 ZINC000182991967 189341668 /nfs/dbraw/zinc/34/16/68/189341668.db2.gz OMBUMVWVBUKDCY-AWEZNQCLSA-N 1 1 298.386 2.643 10 0 CFAEMO CCCCC[N@H+](CC(N)=O)Cc1ccc2ccccc2n1 ZINC000183027812 189343611 /nfs/dbraw/zinc/34/36/11/189343611.db2.gz RFWJUXVOJQZDJJ-UHFFFAOYSA-N 1 1 285.391 2.712 10 0 CFAEMO CCCCC[N@@H+](CC(N)=O)Cc1ccc2ccccc2n1 ZINC000183027812 189343612 /nfs/dbraw/zinc/34/36/12/189343612.db2.gz RFWJUXVOJQZDJJ-UHFFFAOYSA-N 1 1 285.391 2.712 10 0 CFAEMO Cc1ccc([C@H](C)[NH2+]CC(=O)NCc2cccs2)o1 ZINC000183073710 189345564 /nfs/dbraw/zinc/34/55/64/189345564.db2.gz MZQJZXIHODRXBG-NSHDSACASA-N 1 1 278.377 2.617 10 0 CFAEMO C[C@@H]([NH2+]Cc1nc(-c2ccc(F)cc2)no1)[C@@H]1CCCO1 ZINC000183131623 189347868 /nfs/dbraw/zinc/34/78/68/189347868.db2.gz ZSQNPUSVHQIGID-MFKMUULPSA-N 1 1 291.326 2.533 10 0 CFAEMO CCc1cc(N[C@@H]2CCCC[C@H]2[S@@](=O)CC)nc(C)[nH+]1 ZINC000302101615 201342938 /nfs/dbraw/zinc/34/29/38/201342938.db2.gz QAYGAUPRXUDNAF-JZKQVHKSSA-N 1 1 295.452 2.839 10 0 CFAEMO CC(C)[C@H](C)[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000318980590 541248575 /nfs/dbraw/zinc/24/85/75/541248575.db2.gz IMBZABHZVKBNAR-WDEREUQCSA-N 1 1 253.308 2.810 10 0 CFAEMO C[N@@H+]1CC=C(c2c[nH]c3ccc([S@@](C)=O)cc32)CC1 ZINC000013731891 372046370 /nfs/dbraw/zinc/04/63/70/372046370.db2.gz IQSQLDXPUMAYBE-IBGZPJMESA-N 1 1 274.389 2.624 10 0 CFAEMO CC(=O)O[C@H]1[C@H](C)C[N@@H+](C)[C@@H]2Cc3c[nH]c4cccc(c34)[C@H]21 ZINC000033650446 372497513 /nfs/dbraw/zinc/49/75/13/372497513.db2.gz GJSSYQDXZLZOLR-ONUGHKICSA-N 1 1 298.386 2.689 10 0 in-vitro CFAEMO CC(C)([NH3+])c1ccc(-c2ccc3[nH]nc(C(N)=O)c3c2)cc1 ZINC000034499509 372510893 /nfs/dbraw/zinc/51/08/93/372510893.db2.gz SSKSBCVQKFHMCY-UHFFFAOYSA-N 1 1 294.358 2.523 10 0 CFAEMO Cc1cccc(C[N@H+](C[C@@H](O)COC(C)C)C2CC2)c1 ZINC000036098801 372557651 /nfs/dbraw/zinc/55/76/51/372557651.db2.gz WLZRIIVYPXZHPL-QGZVFWFLSA-N 1 1 277.408 2.745 10 0 CFAEMO CCC[C@@H](O)C[N@@H+](CCOC)Cc1ccc(C)s1 ZINC000036101027 372557829 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ZINC000050514214 373378878 /nfs/dbraw/zinc/37/88/78/373378878.db2.gz WOYPUTZMXTXJKC-OAHLLOKOSA-N 1 1 283.371 2.752 10 0 in-vitro CFAEMO C[C@H](C(=O)c1ccccc1)[N@@H+](CCO)Cc1ccccc1 ZINC000050514214 373378880 /nfs/dbraw/zinc/37/88/80/373378880.db2.gz WOYPUTZMXTXJKC-OAHLLOKOSA-N 1 1 283.371 2.752 10 0 in-vitro CFAEMO CCc1ccc(CN[C@@H](CC(C)C)C[NH+](C)C)o1 ZINC000051724161 373405607 /nfs/dbraw/zinc/40/56/07/373405607.db2.gz FVSKLPYQJHSACO-ZDUSSCGKSA-N 1 1 252.402 2.908 10 0 CFAEMO CCN(Cc1ccccc1)C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000052593425 373448775 /nfs/dbraw/zinc/44/87/75/373448775.db2.gz ZSHWGCUALZIGEM-INIZCTEOSA-N 1 1 289.423 2.702 10 0 CFAEMO CSc1ccc(C[N@@H+](CCO)Cc2ccncc2)cc1 ZINC000055359161 373549905 /nfs/dbraw/zinc/54/99/05/373549905.db2.gz GGPKNBRNPCGPMK-UHFFFAOYSA-N 1 1 288.416 2.798 10 0 CFAEMO CCn1c(C)nnc1C[N@H+](CC)CCc1ccccc1 ZINC000195084218 220227794 /nfs/dbraw/zinc/22/77/94/220227794.db2.gz VYOGTFSRBFYYEZ-UHFFFAOYSA-N 1 1 272.396 2.671 10 0 CFAEMO CCn1c(C)nnc1C[N@@H+](CC)CCc1ccccc1 ZINC000195084218 220227796 /nfs/dbraw/zinc/22/77/96/220227796.db2.gz VYOGTFSRBFYYEZ-UHFFFAOYSA-N 1 1 272.396 2.671 10 0 CFAEMO CCCC[N@@H+](CC)C[C@H](O)COCc1ccccc1 ZINC000068045707 374020332 /nfs/dbraw/zinc/02/03/32/374020332.db2.gz KZARKVPLJYDDBK-INIZCTEOSA-N 1 1 265.397 2.686 10 0 CFAEMO CC[N@H+]1CCC[C@@H](NC(=O)CC(C)(C)c2ccccc2)C1 ZINC000067592376 373985030 /nfs/dbraw/zinc/98/50/30/373985030.db2.gz YLQWZRYUYWBHPX-MRXNPFEDSA-N 1 1 288.435 2.955 10 0 CFAEMO COc1ccc(C[NH2+][C@@H]2COc3ccccc32)c(OC)c1 ZINC000070070293 374119630 /nfs/dbraw/zinc/11/96/30/374119630.db2.gz XIUCTJOSIOWQFM-OAHLLOKOSA-N 1 1 285.343 2.927 10 0 CFAEMO COc1ccc(C)cc1[C@H](C)N[C@H]1CCC[C@H]1C[NH3+] ZINC000251188310 189969248 /nfs/dbraw/zinc/96/92/48/189969248.db2.gz ZLBZHHJFQBMECB-YDHLFZDLSA-N 1 1 262.397 2.782 10 0 CFAEMO Cc1ccc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)[nH+]c1 ZINC000078379562 374569657 /nfs/dbraw/zinc/56/96/57/374569657.db2.gz SCXGATRUOQAWIE-CYBMUJFWSA-N 1 1 291.395 2.836 10 0 CFAEMO O[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H]1CCCCC1(F)F)C2 ZINC000640078323 383704843 /nfs/dbraw/zinc/70/48/43/383704843.db2.gz DCQDHSGQLZACTG-NDBYEHHHSA-N 1 1 259.340 2.657 10 0 CFAEMO CCCC(=O)N[C@H]1CCC[N@@H+](CC(CC)CC)C1 ZINC000092708675 375141220 /nfs/dbraw/zinc/14/12/20/375141220.db2.gz YZQUQBPLSYUSIP-AWEZNQCLSA-N 1 1 254.418 2.803 10 0 CFAEMO c1cc(C2CC[NH+](Cc3cccc4c3OCO4)CC2)[nH]n1 ZINC000092810762 375159334 /nfs/dbraw/zinc/15/93/34/375159334.db2.gz NRTGQNTUMHITFY-UHFFFAOYSA-N 1 1 285.347 2.518 10 0 CFAEMO CCn1cc(C[N@H+]2CC[C@@H](CNc3cccc(C)n3)C2)cn1 ZINC000092813090 375160302 /nfs/dbraw/zinc/16/03/02/375160302.db2.gz ABWWDJOWRKVVPD-HNNXBMFYSA-N 1 1 299.422 2.540 10 0 CFAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cnc(C)s1 ZINC000093436713 375236164 /nfs/dbraw/zinc/23/61/64/375236164.db2.gz SOZFCHPDDYGWMT-QWHCGFSZSA-N 1 1 265.426 2.510 10 0 CFAEMO CCC[N@H+](Cc1c(C)nn(C)c1OC)C[C@@H]1CCCCO1 ZINC000093132435 375191116 /nfs/dbraw/zinc/19/11/16/375191116.db2.gz 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288.420 2.639 10 0 CFAEMO Cc1cnn(C[C@H]2C[N@@H+](CCCC3CCCC3)CCO2)c1 ZINC000120589135 376647907 /nfs/dbraw/zinc/64/79/07/376647907.db2.gz KXEPBYWYINHZPF-QGZVFWFLSA-N 1 1 291.439 2.863 10 0 CFAEMO CCCCNC(=O)C[N@@H+](C)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000121237743 376788118 /nfs/dbraw/zinc/78/81/18/376788118.db2.gz FUBHMLINMMHKCW-GJZGRUSLSA-N 1 1 296.455 2.572 10 0 CFAEMO C(c1nc2c(s1)CCCC2)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000678977142 542104780 /nfs/dbraw/zinc/10/47/80/542104780.db2.gz OGHWDYCHNXOTEB-ZDUSSCGKSA-N 1 1 291.464 2.692 10 0 CFAEMO CCCC[N@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121346443 376810955 /nfs/dbraw/zinc/81/09/55/376810955.db2.gz BCIYRNZRGPOWCY-SMDDNHRTSA-N 1 1 255.308 2.873 10 0 CFAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)N(CC)CC)C1 ZINC000128550611 377346341 /nfs/dbraw/zinc/34/63/41/377346341.db2.gz CULKMDSQFOUYIM-ZDUSSCGKSA-N 1 1 278.400 2.544 10 0 CFAEMO CC[C@@H]1CCC[N@@H+](Cc2c(C)nn(C)c2OC)CC1 ZINC000128841836 377356882 /nfs/dbraw/zinc/35/68/82/377356882.db2.gz RDPOLYPKOIYPIC-CYBMUJFWSA-N 1 1 265.401 2.749 10 0 CFAEMO Cc1cccc(NC[C@H]2CC[N@@H+](Cc3ccncc3)C2)n1 ZINC000130754511 377604781 /nfs/dbraw/zinc/60/47/81/377604781.db2.gz YAANIWKGMSQIJQ-MRXNPFEDSA-N 1 1 282.391 2.719 10 0 CFAEMO c1cc(CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)no1 ZINC000679574920 542210730 /nfs/dbraw/zinc/21/07/30/542210730.db2.gz NNDGCWIAGFAUPT-CGTJXYLNSA-N 1 1 297.402 2.675 10 0 CFAEMO CCNC(=O)C[N@@H+]1CCCC[C@H]1c1ccc(CC)o1 ZINC000130973564 377640159 /nfs/dbraw/zinc/64/01/59/377640159.db2.gz OZHOMIRIWOEMQU-ZDUSSCGKSA-N 1 1 264.369 2.505 10 0 CFAEMO CCNC(=O)C[N@H+]1CCCC[C@H]1c1ccc(CC)o1 ZINC000130973564 377640163 /nfs/dbraw/zinc/64/01/63/377640163.db2.gz OZHOMIRIWOEMQU-ZDUSSCGKSA-N 1 1 264.369 2.505 10 0 CFAEMO CCc1ccc([C@@H]2CCCC[N@@H+]2CC(=O)N2CCCC2)o1 ZINC000130976314 377640206 /nfs/dbraw/zinc/64/02/06/377640206.db2.gz HKWMSVYBDFLHTO-HNNXBMFYSA-N 1 1 290.407 2.991 10 0 CFAEMO CCc1ccc([C@@H]2CCCC[N@H+]2CC(=O)N2CCCC2)o1 ZINC000130976314 377640209 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ZINC000151163345 378301865 /nfs/dbraw/zinc/30/18/65/378301865.db2.gz NYHATYSVDXBNHU-LSDHHAIUSA-N 1 1 251.345 2.934 10 0 CFAEMO O[C@@H](C[C@@H]1CCC[N@H+]1CCCF)c1ccccc1 ZINC000151163399 378302135 /nfs/dbraw/zinc/30/21/35/378302135.db2.gz NYHATYSVDXBNHU-GJZGRUSLSA-N 1 1 251.345 2.934 10 0 CFAEMO CC[C@H]([NH2+]C[C@H](O)CN1CCCCC1)c1ccccc1 ZINC000151266413 378311711 /nfs/dbraw/zinc/31/17/11/378311711.db2.gz VYMLXOCWZAOKMV-IRXDYDNUSA-N 1 1 276.424 2.574 10 0 CFAEMO CCOCC[N@@H+](C)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000152594975 378430660 /nfs/dbraw/zinc/43/06/60/378430660.db2.gz XCCGNBFSFZGPBU-KGLIPLIRSA-N 1 1 255.402 2.693 10 0 CFAEMO Cc1cnn([C@H]2CCC[N@@H+](CCN3CCC(C)CC3)C2)c1 ZINC000153843008 378516300 /nfs/dbraw/zinc/51/63/00/378516300.db2.gz SSTQGUXZTALUMP-KRWDZBQOSA-N 1 1 290.455 2.560 10 0 CFAEMO Cc1cnn([C@H]2CCC[N@H+](CCN3CCC(C)CC3)C2)c1 ZINC000153843008 378516304 /nfs/dbraw/zinc/51/63/04/378516304.db2.gz SSTQGUXZTALUMP-KRWDZBQOSA-N 1 1 290.455 2.560 10 0 CFAEMO CC(C)[N@@H+]1C[C@H](NC(=O)c2cc3ccccc3o2)[C@@H](C)C1 ZINC000155758249 378631628 /nfs/dbraw/zinc/63/16/28/378631628.db2.gz APGPFIFSMNVNII-JSGCOSHPSA-N 1 1 286.375 2.891 10 0 CFAEMO CCO[C@H]1C[C@@H](N(C)C(=O)C[N@@H+](C)C(C)C)C12CCCC2 ZINC000156189854 378636640 /nfs/dbraw/zinc/63/66/40/378636640.db2.gz ZFEYGPWTOVOVLU-CABCVRRESA-N 1 1 296.455 2.523 10 0 CFAEMO CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[C@H](C)O2)CC1 ZINC000154638614 378586526 /nfs/dbraw/zinc/58/65/26/378586526.db2.gz BZKBOYKAIUBJIP-GOEBONIOSA-N 1 1 296.455 2.524 10 0 CFAEMO Cc1[nH]c2ccccc2c1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000159004531 378679450 /nfs/dbraw/zinc/67/94/50/378679450.db2.gz TWKHKGOUJNHEOX-LRDDRELGSA-N 1 1 299.418 2.935 10 0 CFAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H](C)CC(C)C ZINC000163023331 378950893 /nfs/dbraw/zinc/95/08/93/378950893.db2.gz LDCIPLWONRAECH-ZFWWWQNUSA-N 1 1 292.427 2.800 10 0 CFAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000164458805 379016277 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ZINC000172078036 379485974 /nfs/dbraw/zinc/48/59/74/379485974.db2.gz GDTYLPOFUJLADZ-SFHVURJKSA-N 1 1 298.434 2.931 10 0 CFAEMO CCc1nnc(C[N@H+]2CCC[C@](C)(c3ccccc3)C2)n1C ZINC000172078036 379485987 /nfs/dbraw/zinc/48/59/87/379485987.db2.gz GDTYLPOFUJLADZ-SFHVURJKSA-N 1 1 298.434 2.931 10 0 CFAEMO C[C@H](NC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C)c1cccs1 ZINC000172238514 379522751 /nfs/dbraw/zinc/52/27/51/379522751.db2.gz FSOOUMKGFKUQBB-RWMBFGLXSA-N 1 1 293.436 2.687 10 0 CFAEMO CC[C@H]1C[N@H+](Cc2ccc3ccccc3n2)CCO1 ZINC000172415035 379562821 /nfs/dbraw/zinc/56/28/21/379562821.db2.gz RQLPVRCLBRYNKS-HNNXBMFYSA-N 1 1 256.349 2.846 10 0 CFAEMO CC[C@H]1C[N@@H+](Cc2ccc3ccccc3n2)CCO1 ZINC000172415035 379562827 /nfs/dbraw/zinc/56/28/27/379562827.db2.gz RQLPVRCLBRYNKS-HNNXBMFYSA-N 1 1 256.349 2.846 10 0 CFAEMO Cc1cnccc1CC[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000335664399 379681718 /nfs/dbraw/zinc/68/17/18/379681718.db2.gz VHDLWBBAPIHASR-SJORKVTESA-N 1 1 274.408 2.560 10 0 CFAEMO 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CCN(Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000037538102 173257963 /nfs/dbraw/zinc/25/79/63/173257963.db2.gz VISGFNLJLMQKDW-UHFFFAOYSA-N 1 1 252.789 2.914 10 0 CFAEMO C[C@H](CN[C@H]1CCOc2ccccc21)[NH+]1CCCCC1 ZINC000038028655 174017723 /nfs/dbraw/zinc/01/77/23/174017723.db2.gz HMHDLVJUXIWPFU-ZBFHGGJFSA-N 1 1 274.408 2.974 10 0 CFAEMO [NH3+][C@H](c1nc(Cc2ccccn2)no1)C1CCCCC1 ZINC000038036981 174036738 /nfs/dbraw/zinc/03/67/38/174036738.db2.gz PSSYUZWZPWFQPF-AWEZNQCLSA-N 1 1 272.352 2.636 10 0 CFAEMO CCN(CC)C(=O)[C@@H](C)[NH2+]Cc1cc(Cl)ccc1OC ZINC000038051583 174062638 /nfs/dbraw/zinc/06/26/38/174062638.db2.gz RKUZCBNFQJDDJB-LLVKDONJSA-N 1 1 298.814 2.695 10 0 CFAEMO CC[C@H](C)[NH2+][C@@](C)(C(N)=O)c1ccccc1Br ZINC000038065655 174076640 /nfs/dbraw/zinc/07/66/40/174076640.db2.gz ZDNUTQDMWDHWCE-TVQRCGJNSA-N 1 1 299.212 2.538 10 0 CFAEMO CC[C@H](C)[NH2+][C@](C)(CCc1ccccc1)C(=O)OC ZINC000038067105 174078096 /nfs/dbraw/zinc/07/80/96/174078096.db2.gz GTIPNQWYWBAMJE-XJKSGUPXSA-N 1 1 263.381 2.939 10 0 CFAEMO COc1cc2c(cc1OC(=O)c1ccccc1)C[N@@H+](C)CC2 ZINC000039123644 174163565 /nfs/dbraw/zinc/16/35/65/174163565.db2.gz DZIYMBRBRNVLDW-UHFFFAOYSA-N 1 1 297.354 2.902 10 0 CFAEMO O[C@@H](Cc1[nH]cc[nH+]1)c1c(Cl)cccc1Cl ZINC000040261476 174217148 /nfs/dbraw/zinc/21/71/48/174217148.db2.gz LXMVWEWQNRFOFO-VIFPVBQESA-N 1 1 257.120 2.993 10 0 CFAEMO CC[N@@H+]1CCC[C@H](N[C@@H](C)c2ccc(OC)cc2F)C1 ZINC000040502855 174299154 /nfs/dbraw/zinc/29/91/54/174299154.db2.gz FIHZOSFIYOTLOX-STQMWFEESA-N 1 1 280.387 2.969 10 0 CFAEMO CC[N@H+]1CCC[C@H](N[C@@H](C)c2ccc(OC)cc2F)C1 ZINC000040502855 174299156 /nfs/dbraw/zinc/29/91/56/174299156.db2.gz FIHZOSFIYOTLOX-STQMWFEESA-N 1 1 280.387 2.969 10 0 CFAEMO CC[N@H+]1CCC[C@H](Nc2ncnc3sccc32)C1 ZINC000040503271 174299773 /nfs/dbraw/zinc/29/97/73/174299773.db2.gz JGZUKVLQMBMMNI-JTQLQIEISA-N 1 1 262.382 2.588 10 0 CFAEMO Cc1cc(C)c(C(N)=S)c(N(C)[C@H](C)C(C)C)[nH+]1 ZINC000040510361 174304658 /nfs/dbraw/zinc/30/46/58/174304658.db2.gz MTOVEHWYYXRMEM-LLVKDONJSA-N 1 1 265.426 2.813 10 0 CFAEMO CCOC1CCN([C@@H](CC)[C@H]([NH3+])c2ccccc2)CC1 ZINC000040689228 174375674 /nfs/dbraw/zinc/37/56/74/174375674.db2.gz PUSVZDHKWGPIFX-DLBZAZTESA-N 1 1 276.424 2.966 10 0 CFAEMO CCOC1CC[NH+]([C@H](CN)c2ccc(C)cc2C)CC1 ZINC000040689130 174376037 /nfs/dbraw/zinc/37/60/37/174376037.db2.gz HLDRSXSRRDLJBF-QGZVFWFLSA-N 1 1 276.424 2.804 10 0 CFAEMO CCOC1CC[NH+]([C@H](C)C(=O)c2ccc(OC)cc2)CC1 ZINC000040689723 174376357 /nfs/dbraw/zinc/37/63/57/174376357.db2.gz XTINEBBAZOYVPN-CYBMUJFWSA-N 1 1 291.391 2.767 10 0 CFAEMO CCOc1ccccc1[C@@H](N)C[NH+]1CCC(OCC)CC1 ZINC000040689283 174376372 /nfs/dbraw/zinc/37/63/72/174376372.db2.gz AQUPGFGRLLLRGG-INIZCTEOSA-N 1 1 292.423 2.586 10 0 CFAEMO CCNc1[nH+]cnc(NC23CC4CC(CC(C4)C2)C3)c1N ZINC000040707296 174379465 /nfs/dbraw/zinc/37/94/65/174379465.db2.gz RUYXOBRCTDMCCT-UHFFFAOYSA-N 1 1 287.411 2.871 10 0 CFAEMO CCNc1nc[nH+]c(NC23CC4CC(CC(C4)C2)C3)c1N ZINC000040707296 174379466 /nfs/dbraw/zinc/37/94/66/174379466.db2.gz RUYXOBRCTDMCCT-UHFFFAOYSA-N 1 1 287.411 2.871 10 0 CFAEMO C[N@H+]1CCC[C@@H](n2c3cccc(F)c3[nH]c2=S)C1 ZINC000040715937 174383759 /nfs/dbraw/zinc/38/37/59/174383759.db2.gz LUAPIKJCSVSAHJ-SECBINFHSA-N 1 1 265.357 2.731 10 0 CFAEMO C[N@H+]1CCC[C@H](n2c3cccc(F)c3[nH]c2=S)C1 ZINC000040715936 174383926 /nfs/dbraw/zinc/38/39/26/174383926.db2.gz LUAPIKJCSVSAHJ-VIFPVBQESA-N 1 1 265.357 2.731 10 0 CFAEMO CCCn1ccnc1[C@H]([NH3+])c1cccc(OC(F)F)c1 ZINC000041110189 174482148 /nfs/dbraw/zinc/48/21/48/174482148.db2.gz SANBMNPEQCCOQJ-GFCCVEGCSA-N 1 1 281.306 2.943 10 0 CFAEMO CCOc1ccccc1[C@@H]([NH2+]C)c1nccn1CC ZINC000041112522 174482985 /nfs/dbraw/zinc/48/29/85/174482985.db2.gz GNMHKFDJBOMELD-CQSZACIVSA-N 1 1 259.353 2.611 10 0 CFAEMO [NH3+][C@H](c1nnc(C2CCCCC2)[nH]1)c1ccccc1 ZINC000041161709 174503093 /nfs/dbraw/zinc/50/30/93/174503093.db2.gz BQTVFRMFQFOFTG-ZDUSSCGKSA-N 1 1 256.353 2.901 10 0 CFAEMO COc1cccc([C@@H]([C@@H](C)N)[NH+]2CCCCCC2)c1 ZINC000043025608 174946164 /nfs/dbraw/zinc/94/61/64/174946164.db2.gz DNBUHGKXQFFECP-CZUORRHYSA-N 1 1 262.397 2.960 10 0 CFAEMO Cc1cccc([C@H](CN)[N@@H+]2CCCSCC2)c1C ZINC000043314799 175004734 /nfs/dbraw/zinc/00/47/34/175004734.db2.gz XPHADPZYLFEJEO-HNNXBMFYSA-N 1 1 264.438 2.742 10 0 CFAEMO Cc1cccc([C@H](CN)[N@H+]2CCCSCC2)c1C ZINC000043314799 175004735 /nfs/dbraw/zinc/00/47/35/175004735.db2.gz XPHADPZYLFEJEO-HNNXBMFYSA-N 1 1 264.438 2.742 10 0 CFAEMO C[C@H](Cc1ccccc1Cl)[NH2+][C@@H]1CCCNC1 ZINC000043325852 175007615 /nfs/dbraw/zinc/00/76/15/175007615.db2.gz CYHHSSSCEAMPLG-DGCLKSJQSA-N 1 1 252.789 2.613 10 0 CFAEMO CCC(CC)[N@@H+](CCO)[C@@H](c1ccco1)[C@H](N)CC ZINC000043336129 175011813 /nfs/dbraw/zinc/01/18/13/175011813.db2.gz CFZCHOJOFHCTCH-UKRRQHHQSA-N 1 1 268.401 2.541 10 0 CFAEMO CCC(CC)[N@H+](CCO)[C@@H](c1ccco1)[C@H](N)CC ZINC000043336129 175011814 /nfs/dbraw/zinc/01/18/14/175011814.db2.gz CFZCHOJOFHCTCH-UKRRQHHQSA-N 1 1 268.401 2.541 10 0 CFAEMO Cc1cc(C)cc([C@@H](CN)[N@H+](C)CCc2ccncc2)c1 ZINC000043394227 175034755 /nfs/dbraw/zinc/03/47/55/175034755.db2.gz UIARPVZLJCOYPW-GOSISDBHSA-N 1 1 283.419 2.873 10 0 CFAEMO Cc1cc(C)cc([C@@H](CN)[N@@H+](C)CCc2ccncc2)c1 ZINC000043394227 175034756 /nfs/dbraw/zinc/03/47/56/175034756.db2.gz UIARPVZLJCOYPW-GOSISDBHSA-N 1 1 283.419 2.873 10 0 CFAEMO Cc1cc(C)cc([C@H]([NH2+]Cc2cccs2)C(N)=O)c1 ZINC000043394776 175034939 /nfs/dbraw/zinc/03/49/39/175034939.db2.gz LGRHNHWOYWQNOH-AWEZNQCLSA-N 1 1 274.389 2.681 10 0 CFAEMO CC[N@@H+]([C@@H](CN)c1cc(C)cc(C)c1)[C@@H](C)COC ZINC000043394523 175035003 /nfs/dbraw/zinc/03/50/03/175035003.db2.gz ADOBISUDUBEPQR-HOCLYGCPSA-N 1 1 264.413 2.660 10 0 CFAEMO CC[N@H+]([C@@H](CN)c1cc(C)cc(C)c1)[C@@H](C)COC ZINC000043394523 175035005 /nfs/dbraw/zinc/03/50/05/175035005.db2.gz ADOBISUDUBEPQR-HOCLYGCPSA-N 1 1 264.413 2.660 10 0 CFAEMO CCO[C@H]1CCC[N@@H+]([C@@H](CN)c2cc(C)cc(C)c2)C1 ZINC000043394473 175035208 /nfs/dbraw/zinc/03/52/08/175035208.db2.gz ZJWMXRXOMJJJLM-IRXDYDNUSA-N 1 1 276.424 2.804 10 0 CFAEMO CCO[C@H]1CCC[N@H+]([C@@H](CN)c2cc(C)cc(C)c2)C1 ZINC000043394473 175035209 /nfs/dbraw/zinc/03/52/09/175035209.db2.gz ZJWMXRXOMJJJLM-IRXDYDNUSA-N 1 1 276.424 2.804 10 0 CFAEMO Cc1cc(C)cc([C@@H](CN)[N@@H+](C)[C@@H]2CCSC2)c1 ZINC000043394064 175035243 /nfs/dbraw/zinc/03/52/43/175035243.db2.gz SEOLWJUJLLLPEU-HUUCEWRRSA-N 1 1 264.438 2.741 10 0 CFAEMO Cc1cc(C)cc([C@@H](CN)[N@H+](C)[C@@H]2CCSC2)c1 ZINC000043394064 175035245 /nfs/dbraw/zinc/03/52/45/175035245.db2.gz SEOLWJUJLLLPEU-HUUCEWRRSA-N 1 1 264.438 2.741 10 0 CFAEMO Nc1cccc(OCCC[N@H+]2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000043423987 175040360 /nfs/dbraw/zinc/04/03/60/175040360.db2.gz WEWHUNFADRFIEW-IRXDYDNUSA-N 1 1 290.407 2.681 10 0 CFAEMO COC(=O)[C@H](C[C@@H](C)c1ccccc1)[NH2+]CC(C)C ZINC000043535903 175063483 /nfs/dbraw/zinc/06/34/83/175063483.db2.gz ARYAABHZKNIVCB-HIFRSBDPSA-N 1 1 263.381 2.967 10 0 CFAEMO CC[C@H](C(N)=S)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000043540087 175064048 /nfs/dbraw/zinc/06/40/48/175064048.db2.gz UKQQKHUDZWGGCT-LLVKDONJSA-N 1 1 256.802 2.837 10 0 CFAEMO Cn1ccnc1[C@@H]([NH3+])c1ccc(F)c(C(F)(F)F)c1 ZINC000043567011 175066830 /nfs/dbraw/zinc/06/68/30/175066830.db2.gz BDOQACZMCNTCOB-JTQLQIEISA-N 1 1 273.233 2.626 10 0 CFAEMO CC(C)C[N@@H+](C[C@H]1NCCc2ccccc21)C1CC1 ZINC000043596272 175076565 /nfs/dbraw/zinc/07/65/65/175076565.db2.gz MCZLKSIHAWVBKU-QGZVFWFLSA-N 1 1 258.409 2.994 10 0 CFAEMO CC(C)CN(C[C@H]1[NH2+]CCc2ccccc21)C1CC1 ZINC000043596272 175076566 /nfs/dbraw/zinc/07/65/66/175076566.db2.gz MCZLKSIHAWVBKU-QGZVFWFLSA-N 1 1 258.409 2.994 10 0 CFAEMO CN[C@H]1c2ccccc2OC[C@H]1[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000043804775 175107452 /nfs/dbraw/zinc/10/74/52/175107452.db2.gz HSAOYRHVFXUTAS-CXUGXGMPSA-N 1 1 274.408 2.686 10 0 CFAEMO CN[C@H]1c2ccccc2OC[C@H]1[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000043804775 175107453 /nfs/dbraw/zinc/10/74/53/175107453.db2.gz HSAOYRHVFXUTAS-CXUGXGMPSA-N 1 1 274.408 2.686 10 0 CFAEMO CN[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(OC)cc1 ZINC000043804612 175107476 /nfs/dbraw/zinc/10/74/76/175107476.db2.gz RUMCUWNWTWCPHE-VBQJREDUSA-N 1 1 276.424 2.934 10 0 CFAEMO CN[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(OC)cc1 ZINC000043804612 175107478 /nfs/dbraw/zinc/10/74/78/175107478.db2.gz RUMCUWNWTWCPHE-VBQJREDUSA-N 1 1 276.424 2.934 10 0 CFAEMO CCN[C@H](c1ccc(OC)cc1)[C@@H](C)[NH+]1CCCC1 ZINC000043807409 175108125 /nfs/dbraw/zinc/10/81/25/175108125.db2.gz NWPRQXIQSXSGAQ-CJNGLKHVSA-N 1 1 262.397 2.830 10 0 CFAEMO CCc1ccc([C@H]([NH2+]C)[C@H](C)N2CCN(CC)CC2)cc1 ZINC000043805928 175108365 /nfs/dbraw/zinc/10/83/65/175108365.db2.gz PUVXEEFTMIYPMU-MAUKXSAKSA-N 1 1 289.467 2.536 10 0 CFAEMO CCC[NH2+][C@@H](c1ccccc1)[C@H](CC)N1CCN(C)CC1 ZINC000043811071 175110149 /nfs/dbraw/zinc/11/01/49/175110149.db2.gz MMZZCIHYZVLKRV-ROUUACIJSA-N 1 1 289.467 2.753 10 0 CFAEMO CN[C@H]1c2ccc(OC)cc2CC[C@@H]1[N@H+](C)C(C)C ZINC000043813243 175110693 /nfs/dbraw/zinc/11/06/93/175110693.db2.gz YIVIPJYBSAWKFX-HOTGVXAUSA-N 1 1 262.397 2.611 10 0 CFAEMO CN[C@H]1c2ccc(OC)cc2CC[C@@H]1[N@@H+](C)C(C)C ZINC000043813243 175110694 /nfs/dbraw/zinc/11/06/94/175110694.db2.gz YIVIPJYBSAWKFX-HOTGVXAUSA-N 1 1 262.397 2.611 10 0 CFAEMO CCCN(CCC)C[C@@H]([NH2+]C)c1ccc2c(c1)OCO2 ZINC000043814666 175111981 /nfs/dbraw/zinc/11/19/81/175111981.db2.gz PBBSXAXOMTVBIJ-CQSZACIVSA-N 1 1 278.396 2.798 10 0 CFAEMO CCN[C@@H]1CCC2(C[C@H]1[NH+]1CCCCCCC1)OCCO2 ZINC000043819246 175113858 /nfs/dbraw/zinc/11/38/58/175113858.db2.gz ICAHUEFQTIJZQT-HZPDHXFCSA-N 1 1 296.455 2.526 10 0 CFAEMO CN[C@@H](C[N@H+](C)C1CCCC1)c1ccc(OC)c(OC)c1 ZINC000043883735 175116155 /nfs/dbraw/zinc/11/61/55/175116155.db2.gz ZXKRKRMTMCLXHF-HNNXBMFYSA-N 1 1 292.423 2.839 10 0 CFAEMO CN[C@@H](C[N@@H+](C)C1CCCC1)c1ccc(OC)c(OC)c1 ZINC000043883735 175116156 /nfs/dbraw/zinc/11/61/56/175116156.db2.gz ZXKRKRMTMCLXHF-HNNXBMFYSA-N 1 1 292.423 2.839 10 0 CFAEMO CN[C@H](C[N@@H+](C)C1CCCC1)c1ccc(OC)cc1OC ZINC000043883544 175116166 /nfs/dbraw/zinc/11/61/66/175116166.db2.gz BSGDZRXSUYTBHC-MRXNPFEDSA-N 1 1 292.423 2.839 10 0 CFAEMO C[NH2+][C@H](CN(C)C1CCCC1)c1ccc(OC)cc1OC ZINC000043883544 175116167 /nfs/dbraw/zinc/11/61/67/175116167.db2.gz BSGDZRXSUYTBHC-MRXNPFEDSA-N 1 1 292.423 2.839 10 0 CFAEMO CCC[N@H+](CC)C[C@H](NC)c1ccccc1OC ZINC000043884318 175117156 /nfs/dbraw/zinc/11/71/56/175117156.db2.gz GTDRIIYHFBZEHB-AWEZNQCLSA-N 1 1 250.386 2.688 10 0 CFAEMO CCC[N@@H+](CC)C[C@H](NC)c1ccccc1OC ZINC000043884318 175117157 /nfs/dbraw/zinc/11/71/57/175117157.db2.gz GTDRIIYHFBZEHB-AWEZNQCLSA-N 1 1 250.386 2.688 10 0 CFAEMO CCOc1ccc([C@@H](C[N@H+](C)CC(C)C)NC)cc1 ZINC000043886591 175117213 /nfs/dbraw/zinc/11/72/13/175117213.db2.gz OCOKRSFODIOJNR-MRXNPFEDSA-N 1 1 264.413 2.934 10 0 CFAEMO CCOc1ccc([C@@H](C[N@@H+](C)CC(C)C)NC)cc1 ZINC000043886591 175117214 /nfs/dbraw/zinc/11/72/14/175117214.db2.gz OCOKRSFODIOJNR-MRXNPFEDSA-N 1 1 264.413 2.934 10 0 CFAEMO CCN[C@@H]1c2ccccc2C[C@@H]1[N@H+](C)[C@@H](C)C1CC1 ZINC000043894928 175119181 /nfs/dbraw/zinc/11/91/81/175119181.db2.gz PYTZVJXMNWHTJO-AFAVFJNCSA-N 1 1 258.409 2.992 10 0 CFAEMO CCN[C@@H]1c2ccccc2C[C@@H]1[N@@H+](C)[C@@H](C)C1CC1 ZINC000043894928 175119182 /nfs/dbraw/zinc/11/91/82/175119182.db2.gz PYTZVJXMNWHTJO-AFAVFJNCSA-N 1 1 258.409 2.992 10 0 CFAEMO CCC[NH2+][C@@H]1CCC2(C[C@H]1N(C)[C@@H](C)C(C)C)OCCO2 ZINC000043895737 175119250 /nfs/dbraw/zinc/11/92/50/175119250.db2.gz UUJRMYHILFZGKA-ARFHVFGLSA-N 1 1 298.471 2.627 10 0 CFAEMO CCN[C@H]1c2ccccc2OC[C@@H]1[N@H+](C)[C@@H](C)C1CC1 ZINC000043895029 175119381 /nfs/dbraw/zinc/11/93/81/175119381.db2.gz WGDRAAKMCAMJGL-NUTKFTJISA-N 1 1 274.408 2.829 10 0 CFAEMO CCN[C@H]1c2ccccc2OC[C@@H]1[N@@H+](C)[C@@H](C)C1CC1 ZINC000043895029 175119383 /nfs/dbraw/zinc/11/93/83/175119383.db2.gz WGDRAAKMCAMJGL-NUTKFTJISA-N 1 1 274.408 2.829 10 0 CFAEMO CN[C@@H]1c2ccccc2CCC[C@H]1[N@H+](C)CC1CC1 ZINC000043905031 175122561 /nfs/dbraw/zinc/12/25/61/175122561.db2.gz TVCYZBFUILOCFW-IAGOWNOFSA-N 1 1 258.409 2.994 10 0 CFAEMO CN[C@@H]1c2ccccc2CCC[C@H]1[N@@H+](C)CC1CC1 ZINC000043905031 175122562 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ZINC000043905708 175122953 /nfs/dbraw/zinc/12/29/53/175122953.db2.gz MGPBDBPFKMEPJV-MRXNPFEDSA-N 1 1 292.423 2.696 10 0 CFAEMO CN[C@@H](C[N@H+](C)CCC(C)C)c1ccc(OC)cc1 ZINC000043914490 175124576 /nfs/dbraw/zinc/12/45/76/175124576.db2.gz YDGAAQWSVAXWPS-INIZCTEOSA-N 1 1 264.413 2.934 10 0 CFAEMO CN[C@@H](C[N@@H+](C)CCC(C)C)c1ccc(OC)cc1 ZINC000043914490 175124577 /nfs/dbraw/zinc/12/45/77/175124577.db2.gz YDGAAQWSVAXWPS-INIZCTEOSA-N 1 1 264.413 2.934 10 0 CFAEMO CCC[NH2+][C@H](CCC)[C@H](CC)N1CCN(C2CC2)CC1 ZINC000043967802 175129241 /nfs/dbraw/zinc/12/92/41/175129241.db2.gz DNEGPZJZSNXPAW-SJORKVTESA-N 1 1 281.488 2.713 10 0 CFAEMO CCC[C@@H]([NH2+]C)[C@@H](CC)N(CCOC)CC(C)C ZINC000043970293 175131518 /nfs/dbraw/zinc/13/15/18/175131518.db2.gz IYHFQMGJUNLXIC-HUUCEWRRSA-N 1 1 258.450 2.758 10 0 CFAEMO CCOc1ccc([C@@H](O)C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000044116151 175141723 /nfs/dbraw/zinc/14/17/23/175141723.db2.gz RETKXNISZWZXSD-BBRMVZONSA-N 1 1 263.381 2.993 10 0 CFAEMO 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CC(=O)Nc1cccc([C@H](C)N[C@H]2CCC[N@H+](C)CC2)c1 ZINC000086817407 179344987 /nfs/dbraw/zinc/34/49/87/179344987.db2.gz MWLCTOBQSLGYKP-BBRMVZONSA-N 1 1 289.423 2.780 10 0 CFAEMO CC(=O)Nc1cccc([C@H](C)N[C@H]2CCC[N@@H+](C)CC2)c1 ZINC000086817407 179344989 /nfs/dbraw/zinc/34/49/89/179344989.db2.gz MWLCTOBQSLGYKP-BBRMVZONSA-N 1 1 289.423 2.780 10 0 CFAEMO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CCCN(C)CC2)c1 ZINC000086817407 179344990 /nfs/dbraw/zinc/34/49/90/179344990.db2.gz MWLCTOBQSLGYKP-BBRMVZONSA-N 1 1 289.423 2.780 10 0 CFAEMO C[C@H]([NH2+][C@@H]1CCCN(C)CC1)c1cccc(F)c1 ZINC000086817387 179345125 /nfs/dbraw/zinc/34/51/25/179345125.db2.gz MAJPOLOTHHIASP-SWLSCSKDSA-N 1 1 250.361 2.961 10 0 CFAEMO C[C@H](N[C@@H]1CCC[N@H+](C)CC1)c1cccc(F)c1 ZINC000086817387 179345128 /nfs/dbraw/zinc/34/51/28/179345128.db2.gz MAJPOLOTHHIASP-SWLSCSKDSA-N 1 1 250.361 2.961 10 0 CFAEMO C[C@H](N[C@@H]1CCC[N@@H+](C)CC1)c1cccc(F)c1 ZINC000086817387 179345130 /nfs/dbraw/zinc/34/51/30/179345130.db2.gz MAJPOLOTHHIASP-SWLSCSKDSA-N 1 1 250.361 2.961 10 0 CFAEMO COC(=O)c1ccc(C)c(N[C@H]2CCC[N@@H+](C)CC2)c1 ZINC000086817670 179345891 /nfs/dbraw/zinc/34/58/91/179345891.db2.gz VGFAQBLJGVCXHH-AWEZNQCLSA-N 1 1 276.380 2.678 10 0 CFAEMO C[N@H+]1CCC[C@H](Nc2cc3c(cc2Cl)NC(=O)C3)CC1 ZINC000086817869 179346015 /nfs/dbraw/zinc/34/60/15/179346015.db2.gz YHIVDHLJXKNANJ-NSHDSACASA-N 1 1 293.798 2.731 10 0 CFAEMO CNC(=O)c1cc(N[C@@H]2CCC[N@@H+](C)CC2)ccc1Cl ZINC000086818727 179346735 /nfs/dbraw/zinc/34/67/35/179346735.db2.gz YOOQSZCVXIPVJK-LLVKDONJSA-N 1 1 295.814 2.596 10 0 CFAEMO CC[N@@H+]1CCC[C@H](N[C@@H](C)c2cccc(O)c2)CC1 ZINC000086840426 179354055 /nfs/dbraw/zinc/35/40/55/179354055.db2.gz BAJDKKYVMWSVLA-ZFWWWQNUSA-N 1 1 262.397 2.917 10 0 CFAEMO CC[N@H+]1CCC[C@H](N[C@@H](C)c2cccc(O)c2)CC1 ZINC000086840426 179354058 /nfs/dbraw/zinc/35/40/58/179354058.db2.gz BAJDKKYVMWSVLA-ZFWWWQNUSA-N 1 1 262.397 2.917 10 0 CFAEMO CC[N@H+]1CCC[C@H](NC(=O)C[C@@H](C)c2cccc(F)c2)C1 ZINC000172289936 348090304 /nfs/dbraw/zinc/09/03/04/348090304.db2.gz YOKDAYPEKGVIJL-CJNGLKHVSA-N 1 1 292.398 2.920 10 0 CFAEMO Cc1ccc(CN[C@H]2CCC[N@H+](C(C)C)CC2)o1 ZINC000086844243 179354460 /nfs/dbraw/zinc/35/44/60/179354460.db2.gz PIDUHMLEIJTTOJ-AWEZNQCLSA-N 1 1 250.386 2.941 10 0 CFAEMO CC(C)[N@H+]1CCC[C@@H](N[C@@H]2COc3ccccc32)CC1 ZINC000086845357 179354494 /nfs/dbraw/zinc/35/44/94/179354494.db2.gz DQPLWISWERLCRD-GDBMZVCRSA-N 1 1 274.408 2.973 10 0 CFAEMO CCC[N@H+]1CCC[C@@](CO)(Nc2ccc(F)cc2)CC1 ZINC000086868015 179360211 /nfs/dbraw/zinc/36/02/11/179360211.db2.gz OCCQBADNCBXPAL-MRXNPFEDSA-N 1 1 280.387 2.865 10 0 CFAEMO CC(C)[N@H+]1CCC[C@](CC(=O)[O-])([NH+]2CCCCCC2)CC1 ZINC000086868447 179360293 /nfs/dbraw/zinc/36/02/93/179360293.db2.gz HSVOSEJZGITCRD-KRWDZBQOSA-N 1 1 296.455 2.970 10 0 CFAEMO CCC[N@H+]1CCC[C@@H]([NH+](CCCC(=O)[O-])C(C)C)CC1 ZINC000086868778 179361916 /nfs/dbraw/zinc/36/19/16/179361916.db2.gz OIWSGBUPAXDGIY-OAHLLOKOSA-N 1 1 284.444 2.826 10 0 CFAEMO CCC[NH+]1CCC[C@@H]([N@H+](CCCC(=O)[O-])C(C)C)CC1 ZINC000086868778 179361918 /nfs/dbraw/zinc/36/19/18/179361918.db2.gz OIWSGBUPAXDGIY-OAHLLOKOSA-N 1 1 284.444 2.826 10 0 CFAEMO CCC[NH+]1CCC[C@@H]([N@@H+](CCCC(=O)[O-])C(C)C)CC1 ZINC000086868778 179361920 /nfs/dbraw/zinc/36/19/20/179361920.db2.gz OIWSGBUPAXDGIY-OAHLLOKOSA-N 1 1 284.444 2.826 10 0 CFAEMO CC[C@]1(C(=O)[O-])CCC[N@H+]([C@@H]2CCC[NH+](C(C)C)CC2)C1 ZINC000086869151 179362248 /nfs/dbraw/zinc/36/22/48/179362248.db2.gz FEDQCTZKZDYBGB-WBVHZDCISA-N 1 1 296.455 2.826 10 0 CFAEMO CC[C@]1(C(=O)[O-])CCC[NH+]([C@@H]2CCC[N@@H+](C(C)C)CC2)C1 ZINC000086869151 179362249 /nfs/dbraw/zinc/36/22/49/179362249.db2.gz FEDQCTZKZDYBGB-WBVHZDCISA-N 1 1 296.455 2.826 10 0 CFAEMO CC[C@]1(C(=O)[O-])CCC[NH+]([C@@H]2CCC[N@H+](C(C)C)CC2)C1 ZINC000086869151 179362250 /nfs/dbraw/zinc/36/22/50/179362250.db2.gz FEDQCTZKZDYBGB-WBVHZDCISA-N 1 1 296.455 2.826 10 0 CFAEMO CCC[N@H+]1CCC[C@@H]([NH+]2CCCC[C@@H]2CCC(=O)[O-])CC1 ZINC000086868868 179362328 /nfs/dbraw/zinc/36/23/28/179362328.db2.gz DLJFIURVJBRTCF-HZPDHXFCSA-N 1 1 296.455 2.970 10 0 CFAEMO CCC[NH+]1CCC[C@@H]([N@@H+]2CCCC[C@@H]2CCC(=O)[O-])CC1 ZINC000086868868 179362330 /nfs/dbraw/zinc/36/23/30/179362330.db2.gz DLJFIURVJBRTCF-HZPDHXFCSA-N 1 1 296.455 2.970 10 0 CFAEMO CCC[NH+]1CCC[C@@H]([N@H+]2CCCC[C@@H]2CCC(=O)[O-])CC1 ZINC000086868868 179362332 /nfs/dbraw/zinc/36/23/32/179362332.db2.gz DLJFIURVJBRTCF-HZPDHXFCSA-N 1 1 296.455 2.970 10 0 CFAEMO CC(C)[N@H+]1CCC[C@H]([NH+]2CCCC[C@@H]2CCC(=O)[O-])CC1 ZINC000086868870 179362740 /nfs/dbraw/zinc/36/27/40/179362740.db2.gz NLHYUXCSAJWHMX-CVEARBPZSA-N 1 1 296.455 2.969 10 0 CFAEMO CC(C)[NH+]1CCC[C@H]([N@@H+]2CCCC[C@@H]2CCC(=O)[O-])CC1 ZINC000086868870 179362741 /nfs/dbraw/zinc/36/27/41/179362741.db2.gz NLHYUXCSAJWHMX-CVEARBPZSA-N 1 1 296.455 2.969 10 0 CFAEMO CC(C)[NH+]1CCC[C@H]([N@H+]2CCCC[C@@H]2CCC(=O)[O-])CC1 ZINC000086868870 179362743 /nfs/dbraw/zinc/36/27/43/179362743.db2.gz NLHYUXCSAJWHMX-CVEARBPZSA-N 1 1 296.455 2.969 10 0 CFAEMO OC[C@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1 ZINC000217735949 348165103 /nfs/dbraw/zinc/16/51/03/348165103.db2.gz BSKYVCTUKXPMPS-QGZVFWFLSA-N 1 1 253.345 2.606 10 0 CFAEMO CC[N@H+]1CCC[C@@](O)(Cc2ccc(F)cc2F)CC1 ZINC000086851826 179359430 /nfs/dbraw/zinc/35/94/30/179359430.db2.gz VMACYELPISHHRY-HNNXBMFYSA-N 1 1 269.335 2.744 10 0 CFAEMO CC[C@H]([NH3+])C(=O)c1c(F)ccc(Br)c1F ZINC000234024092 348218278 /nfs/dbraw/zinc/21/82/78/348218278.db2.gz LSKTUJVPUWXGTJ-ZETCQYMHSA-N 1 1 278.096 2.647 10 0 CFAEMO C[C@H]1C[C@]2(C[N@H+]1Cc1ccccc1)NCCCS2 ZINC000306491104 348388126 /nfs/dbraw/zinc/38/81/26/348388126.db2.gz VVVKFTXWDIFCKL-ZFWWWQNUSA-N 1 1 262.422 2.704 10 0 CFAEMO C[C@H]1C[C@]2(CN1Cc1ccccc1)[NH2+]CCCS2 ZINC000306491104 348388130 /nfs/dbraw/zinc/38/81/30/348388130.db2.gz VVVKFTXWDIFCKL-ZFWWWQNUSA-N 1 1 262.422 2.704 10 0 CFAEMO C[C@@H]1[N@@H+](Cc2ccccc2)CC[C@]12NC[C@@H](C)CS2 ZINC000307145765 348396462 /nfs/dbraw/zinc/39/64/62/348396462.db2.gz MSHMEFLRCAFWEP-IJEWVQPXSA-N 1 1 276.449 2.950 10 0 CFAEMO C[C@@H]1N(Cc2ccccc2)CC[C@]12[NH2+]C[C@@H](C)CS2 ZINC000307145765 348396468 /nfs/dbraw/zinc/39/64/68/348396468.db2.gz MSHMEFLRCAFWEP-IJEWVQPXSA-N 1 1 276.449 2.950 10 0 CFAEMO C[N@H+](Cc1ccc2c(c1)CCO2)C[C@H]1CCc2nccn2C1 ZINC000328636143 348441998 /nfs/dbraw/zinc/44/19/98/348441998.db2.gz NWPSZGJTAJDDAV-OAHLLOKOSA-N 1 1 297.402 2.512 10 0 CFAEMO CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1ccnc(C)c1 ZINC000391320156 348543726 /nfs/dbraw/zinc/54/37/26/348543726.db2.gz FABQXUPFCKDKDC-DLBZAZTESA-N 1 1 273.424 2.839 10 0 CFAEMO [NH3+][C@H](c1nc([C@H]2CCc3ccccc32)no1)C1CC1 ZINC000087997514 179534039 /nfs/dbraw/zinc/53/40/39/179534039.db2.gz CCMBVYYTGIKYGV-STQMWFEESA-N 1 1 255.321 2.558 10 0 CFAEMO CS[C@@H]1CCCC[N@@H+](C[C@@H]2CCC[C@H](O)C2)C1 ZINC000590605242 348914841 /nfs/dbraw/zinc/91/48/41/348914841.db2.gz GDVHDSGLCREEPB-HZSPNIEDSA-N 1 1 257.443 2.755 10 0 CFAEMO CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1Cc1ncc(C)s1 ZINC000300414027 539728596 /nfs/dbraw/zinc/72/85/96/539728596.db2.gz IKCVKLHEIQLMNN-KGLIPLIRSA-N 1 1 279.453 2.900 10 0 CFAEMO CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1ccc(C)cn1 ZINC000400927732 539733455 /nfs/dbraw/zinc/73/34/55/539733455.db2.gz MRRSIWKKYGQYFV-DLBZAZTESA-N 1 1 273.424 2.839 10 0 CFAEMO CC[C@H]1CN2CCCC[C@@H]2C[N@@H+]1Cc1ccc(C)cn1 ZINC000400927732 539733460 /nfs/dbraw/zinc/73/34/60/539733460.db2.gz MRRSIWKKYGQYFV-DLBZAZTESA-N 1 1 273.424 2.839 10 0 CFAEMO CC[C@H]1CN2CCCC[C@@H]2C[N@H+]1Cc1ccc(C)cn1 ZINC000400927732 539733464 /nfs/dbraw/zinc/73/34/64/539733464.db2.gz MRRSIWKKYGQYFV-DLBZAZTESA-N 1 1 273.424 2.839 10 0 CFAEMO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCCCC[C@@H]1O ZINC000104436075 186000950 /nfs/dbraw/zinc/00/09/50/186000950.db2.gz JGCQTLSJXFNTMC-STQMWFEESA-N 1 1 268.426 2.825 10 0 CFAEMO CC[C@@H]([NH3+])Cc1cc(F)ccc1Sc1n[nH]c(C)n1 ZINC000104439743 186002567 /nfs/dbraw/zinc/00/25/67/186002567.db2.gz ILABRKYELGDVEH-LLVKDONJSA-N 1 1 280.372 2.683 10 0 CFAEMO CC[C@@H]([NH3+])Cc1cc(F)ccc1Sc1nc(C)n[nH]1 ZINC000104439743 186002569 /nfs/dbraw/zinc/00/25/69/186002569.db2.gz ILABRKYELGDVEH-LLVKDONJSA-N 1 1 280.372 2.683 10 0 CFAEMO CC(C)C[N@H+]1CCC[C@@H]1CN[C@H](C)c1cncc(F)c1 ZINC000090773179 180038294 /nfs/dbraw/zinc/03/82/94/180038294.db2.gz BIZGWCMOPDTKTN-CZUORRHYSA-N 1 1 279.403 2.992 10 0 CFAEMO CC(C)CN1CCC[C@@H]1C[NH2+][C@H](C)c1cncc(F)c1 ZINC000090773179 180038296 /nfs/dbraw/zinc/03/82/96/180038296.db2.gz BIZGWCMOPDTKTN-CZUORRHYSA-N 1 1 279.403 2.992 10 0 CFAEMO CC[C@@H](NC(=O)c1csc(C[NH3+])n1)c1cccs1 ZINC000090931574 180066336 /nfs/dbraw/zinc/06/63/36/180066336.db2.gz BTTORKRRXXKGLI-MRVPVSSYSA-N 1 1 281.406 2.544 10 0 CFAEMO COc1cccc(F)c1[C@@H](C)NC[C@@H]1CCC[N@H+]1C ZINC000222695868 539766976 /nfs/dbraw/zinc/76/69/76/539766976.db2.gz KRRHHTQQJALKLI-NEPJUHHUSA-N 1 1 266.360 2.579 10 0 CFAEMO COc1cccc(F)c1[C@H](C)NC[C@H]1CCC[N@H+]1C ZINC000222696068 539767062 /nfs/dbraw/zinc/76/70/62/539767062.db2.gz KRRHHTQQJALKLI-NWDGAFQWSA-N 1 1 266.360 2.579 10 0 CFAEMO COc1cc(C[NH2+][C@@H](C)c2ccc(C)o2)sn1 ZINC000399070497 539767227 /nfs/dbraw/zinc/76/72/27/539767227.db2.gz BKBOUIIFYJCYGT-VIFPVBQESA-N 1 1 252.339 2.904 10 0 CFAEMO CCc1ccc(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1 ZINC000104974399 186036790 /nfs/dbraw/zinc/03/67/90/186036790.db2.gz AHLZHASPOOTBKY-INIZCTEOSA-N 1 1 287.407 2.951 10 0 CFAEMO CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(OC)c2ccccc12 ZINC000092100133 180324818 /nfs/dbraw/zinc/32/48/18/180324818.db2.gz JHVMWZPDSFJUFA-MRXNPFEDSA-N 1 1 298.386 2.559 10 0 CFAEMO Cc1[nH]c(-c2cccc(Br)c2)c(N)[nH+]1 ZINC000105885538 186083374 /nfs/dbraw/zinc/08/33/74/186083374.db2.gz BSQVKYQYIAGSRP-UHFFFAOYSA-N 1 1 252.115 2.730 10 0 CFAEMO CC[C@H]1CN(Cc2ccccc2Cl)CC[N@H+]1C[C@@H](C)O ZINC000106104696 186103164 /nfs/dbraw/zinc/10/31/64/186103164.db2.gz ZDJMJNJDTRCEGX-HIFRSBDPSA-N 1 1 296.842 2.617 10 0 CFAEMO Cc1cnn(C[C@H]2C[N@H+](Cc3cc(C)ccc3C)CCO2)c1 ZINC000106198759 186103641 /nfs/dbraw/zinc/10/36/41/186103641.db2.gz DRTZLAQLPRYLMP-GOSISDBHSA-N 1 1 299.418 2.709 10 0 CFAEMO Cc1cnn(C[C@H]2C[N@@H+](Cc3cc(C)ccc3C)CCO2)c1 ZINC000106198759 186103642 /nfs/dbraw/zinc/10/36/42/186103642.db2.gz DRTZLAQLPRYLMP-GOSISDBHSA-N 1 1 299.418 2.709 10 0 CFAEMO Cc1cnn(C[C@H]2C[N@@H+](CCCc3ccccc3)CCO2)c1 ZINC000105892212 186084809 /nfs/dbraw/zinc/08/48/09/186084809.db2.gz WJNJUMKSUPSYBK-GOSISDBHSA-N 1 1 299.418 2.525 10 0 CFAEMO Cc1cc(C)n(C[C@H]2C[N@H+]([C@@H](C)c3ccccc3)CCO2)n1 ZINC000105893267 186085590 /nfs/dbraw/zinc/08/55/90/186085590.db2.gz AMBRCTCGZUOZAT-FUHWJXTLSA-N 1 1 299.418 2.962 10 0 CFAEMO Cc1cc(C)n(C[C@H]2C[N@@H+]([C@@H](C)c3ccccc3)CCO2)n1 ZINC000105893267 186085592 /nfs/dbraw/zinc/08/55/92/186085592.db2.gz AMBRCTCGZUOZAT-FUHWJXTLSA-N 1 1 299.418 2.962 10 0 CFAEMO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1O ZINC000106455549 186118450 /nfs/dbraw/zinc/11/84/50/186118450.db2.gz CLYBUEBFZCFXBY-HNNXBMFYSA-N 1 1 284.359 2.504 10 0 CFAEMO Cc1ccc(NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)c(O)c1 ZINC000106455403 186119284 /nfs/dbraw/zinc/11/92/84/186119284.db2.gz QOAPANHEYWEMGY-INIZCTEOSA-N 1 1 298.386 2.812 10 0 CFAEMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3ccsc3)C2)n1 ZINC000122026566 187010802 /nfs/dbraw/zinc/01/08/02/187010802.db2.gz QVVHXBDEOIIMKK-CQSZACIVSA-N 1 1 290.436 2.869 10 0 CFAEMO Cc1cc(C)c(C[N@@H+]2CCO[C@@H](Cn3cccn3)C2)cc1C ZINC000122143687 187017789 /nfs/dbraw/zinc/01/77/89/187017789.db2.gz ZTCZGHRQKYVMHY-GOSISDBHSA-N 1 1 299.418 2.709 10 0 CFAEMO Cc1cc(C)c(C[N@H+]2CCO[C@@H](Cn3cccn3)C2)cc1C ZINC000122143687 187017790 /nfs/dbraw/zinc/01/77/90/187017790.db2.gz ZTCZGHRQKYVMHY-GOSISDBHSA-N 1 1 299.418 2.709 10 0 CFAEMO CCCOc1cccc(C[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000122716374 187047607 /nfs/dbraw/zinc/04/76/07/187047607.db2.gz DOHVTZUUSNFDLE-MRXNPFEDSA-N 1 1 290.407 2.528 10 0 CFAEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1cc(OC)cc(OC)c1 ZINC000123403722 187089902 /nfs/dbraw/zinc/08/99/02/187089902.db2.gz HDDNJAGBGHPPOR-OAHLLOKOSA-N 1 1 292.423 2.620 10 0 CFAEMO Cc1cc(F)c(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1F ZINC000134350900 539834966 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CFAEMO Cc1cccc(CCC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000155341464 394314638 /nfs/dbraw/zinc/31/46/38/394314638.db2.gz BVJHFMWRMVRDJV-RDJZCZTQSA-N 1 1 288.435 2.773 10 0 CFAEMO Cc1cc2ccccc2nc1N1CC[N@H+]2CCC[C@@H]2C1 ZINC000177931108 394385768 /nfs/dbraw/zinc/38/57/68/394385768.db2.gz DXRNHMNGBKHJBV-OAHLLOKOSA-N 1 1 267.376 2.828 10 0 CFAEMO CC[N@@H+]1CCO[C@@H](CNc2ncc(Cl)cc2Cl)C1 ZINC000166116054 542948767 /nfs/dbraw/zinc/94/87/67/542948767.db2.gz RRNLSPHBHOUZTI-JTQLQIEISA-N 1 1 290.194 2.521 10 0 CFAEMO CC[N@H+]1CCO[C@@H](CNc2ncc(Cl)cc2Cl)C1 ZINC000166116054 542948768 /nfs/dbraw/zinc/94/87/68/542948768.db2.gz RRNLSPHBHOUZTI-JTQLQIEISA-N 1 1 290.194 2.521 10 0 CFAEMO CCc1cc(NC[C@@H]2C[C@@H](C)O[C@@H](C)C2)nc(C)[nH+]1 ZINC000281734267 542966282 /nfs/dbraw/zinc/96/62/82/542966282.db2.gz CYJXKQAARPMMAI-PTEHBNRSSA-N 1 1 263.385 2.963 10 0 CFAEMO CC(C)(CN1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000180146976 543010705 /nfs/dbraw/zinc/01/07/05/543010705.db2.gz TYKXDMAFIFKROB-MRXNPFEDSA-N 1 1 258.409 2.744 10 0 CFAEMO CC(C)(C[N@@H+]1CCN2CCC[C@@H]2C1)c1ccccc1 ZINC000180146976 543010707 /nfs/dbraw/zinc/01/07/07/543010707.db2.gz TYKXDMAFIFKROB-MRXNPFEDSA-N 1 1 258.409 2.744 10 0 CFAEMO CC(C)(C[N@H+]1CCN2CCC[C@@H]2C1)c1ccccc1 ZINC000180146976 543010708 /nfs/dbraw/zinc/01/07/08/543010708.db2.gz TYKXDMAFIFKROB-MRXNPFEDSA-N 1 1 258.409 2.744 10 0 CFAEMO Cc1ccc([C@H](C)[NH2+]CC(=O)NCCC(C)(C)C)o1 ZINC000182567696 543030826 /nfs/dbraw/zinc/03/08/26/543030826.db2.gz GBNWUMKAMHBQKM-LBPRGKRZSA-N 1 1 266.385 2.791 10 0 CFAEMO Fc1cc(F)cc(C[N@H+]2CCC[C@@H]2Cn2ccnc2)c1 ZINC000185223329 543046978 /nfs/dbraw/zinc/04/69/78/543046978.db2.gz LDOOTSZQZFETEY-OAHLLOKOSA-N 1 1 277.318 2.826 10 0 CFAEMO CCSCC[N@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000076008137 397591133 /nfs/dbraw/zinc/59/11/33/397591133.db2.gz SZGRLMZIQANKLK-LBPRGKRZSA-N 1 1 288.457 2.729 10 0 CFAEMO CCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N[C@@H](C)CC)C12CCCC2 ZINC000246967828 286245736 /nfs/dbraw/zinc/24/57/36/286245736.db2.gz KXEKKBJGAPFMCC-RRFJBIMHSA-N 1 1 296.455 2.571 10 0 CFAEMO CC[C@@H]([NH3+])[C@H](c1cccs1)N1CCC[C@@H]1CCCO ZINC000052757604 522652803 /nfs/dbraw/zinc/65/28/03/522652803.db2.gz BFGUCUABWFWGMF-UMVBOHGHSA-N 1 1 282.453 2.763 10 0 CFAEMO CC[C@@H](N)[C@H](c1cccs1)[N@H+]1CCC[C@@H]1CCCO ZINC000052757604 522652795 /nfs/dbraw/zinc/65/27/95/522652795.db2.gz BFGUCUABWFWGMF-UMVBOHGHSA-N 1 1 282.453 2.763 10 0 CFAEMO CC(C)OCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000374169024 157078595 /nfs/dbraw/zinc/07/85/95/157078595.db2.gz AQZXGVFPDWOANG-XHSDSOJGSA-N 1 1 269.429 2.817 10 0 CFAEMO CC(=O)c1ccccc1OCC[N@H+]1C[C@H]2CCC[C@@H]21 ZINC000350724655 163100855 /nfs/dbraw/zinc/10/08/55/163100855.db2.gz NAZLLHMDKHMDMU-HIFRSBDPSA-N 1 1 259.349 2.752 10 0 CFAEMO CC[C@@H]1C[N@@H+](CC2CCC(C)CC2)CCN1CCOC ZINC000120978431 287192417 /nfs/dbraw/zinc/19/24/17/287192417.db2.gz UTPGYTCYHRJRLZ-OFLPRAFFSA-N 1 1 282.472 2.855 10 0 CFAEMO Cc1cc([C@@H](C(C)C)n2nnc3ccccc32)c[nH+]c1N ZINC000005379289 170091584 /nfs/dbraw/zinc/09/15/84/170091584.db2.gz NMRMYUUNQPLDKV-OAHLLOKOSA-N 1 1 281.363 2.962 10 0 CFAEMO C[C@H]([NH2+][C@H]1COc2cc(O)ccc21)c1cccnc1 ZINC000020127808 171014020 /nfs/dbraw/zinc/01/40/20/171014020.db2.gz KRGTUJQGZDEXQH-HZMBPMFUSA-N 1 1 256.305 2.572 10 0 CFAEMO CN1CCN(CCC[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000020128337 171014909 /nfs/dbraw/zinc/01/49/09/171014909.db2.gz QFSGRQMINJWKSV-DLBZAZTESA-N 1 1 295.515 2.818 10 0 CFAEMO C[NH+](C)C[C@@H](N)c1ccc2c(c1)Cc1ccccc1-2 ZINC000020260348 171117083 /nfs/dbraw/zinc/11/70/83/171117083.db2.gz URXYSUCARROWPD-QGZVFWFLSA-N 1 1 252.361 2.819 10 0 CFAEMO COc1ccc([C@@H](C[NH3+])N2CCCCCCC2)cc1 ZINC000020265260 171122320 /nfs/dbraw/zinc/12/23/20/171122320.db2.gz QLYHOTVOTWDCFT-MRXNPFEDSA-N 1 1 262.397 2.961 10 0 CFAEMO Cc1cc(CNCC(C)(C)C[NH+](C)C)cc(C)c1O ZINC000020305283 171141616 /nfs/dbraw/zinc/14/16/16/171141616.db2.gz PBUZHTRISNMKKP-UHFFFAOYSA-N 1 1 264.413 2.686 10 0 CFAEMO Cc1cc(C[NH2+]CC(C)(C)CN(C)C)cc(C)c1O ZINC000020305283 171141618 /nfs/dbraw/zinc/14/16/18/171141618.db2.gz PBUZHTRISNMKKP-UHFFFAOYSA-N 1 1 264.413 2.686 10 0 CFAEMO CCC[C@H](C)NC(=O)[C@H](C)NCCC[N@H+]1CCCC[C@@H]1C ZINC000020367493 171165958 /nfs/dbraw/zinc/16/59/58/171165958.db2.gz IYWRQGYGZUPIFY-JYJNAYRXSA-N 1 1 297.487 2.534 10 0 CFAEMO O=C1OC[C@@H](c2ccccc2)[N@@H+]2[C@@H]1C[C@H]1CCC[C@H]12 ZINC000022049312 171350501 /nfs/dbraw/zinc/35/05/01/171350501.db2.gz XDYUWXJPBSIHKT-TUVASFSCSA-N 1 1 257.333 2.528 10 0 CFAEMO C[C@@H]1CCC[C@@H](C)[NH+]1CC(=O)Nc1cc(N)ccc1F ZINC000022173148 171368872 /nfs/dbraw/zinc/36/88/72/171368872.db2.gz OMKYWHOWLCEBES-GHMZBOCLSA-N 1 1 279.359 2.609 10 0 CFAEMO NC[C@@H](C1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000022177164 171371159 /nfs/dbraw/zinc/37/11/59/171371159.db2.gz ROHQPHBGGGNHGM-KRWDZBQOSA-N 1 1 258.409 2.952 10 0 CFAEMO NC[C@@H](C1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000022177164 171371161 /nfs/dbraw/zinc/37/11/61/171371161.db2.gz ROHQPHBGGGNHGM-KRWDZBQOSA-N 1 1 258.409 2.952 10 0 CFAEMO COc1ccc([C@H](C[NH3+])N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000022210137 171372807 /nfs/dbraw/zinc/37/28/07/171372807.db2.gz VSTIECHUWGIMER-IOASZLSFSA-N 1 1 262.397 2.673 10 0 CFAEMO Cc1[nH+]ccn1[C@@H](C)C(=O)Nc1ccc(N)cc1Cl ZINC000022216481 171375671 /nfs/dbraw/zinc/37/56/71/171375671.db2.gz VWENMJILMLRRSQ-QMMMGPOBSA-N 1 1 278.743 2.627 10 0 CFAEMO C[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(F)cc1N ZINC000022220224 171377333 /nfs/dbraw/zinc/37/73/33/171377333.db2.gz CXLWICNHTFRAGO-PHIMTYICSA-N 1 1 279.359 2.609 10 0 CFAEMO COc1ccc([C@@H]([NH3+])CN2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000022564188 171391754 /nfs/dbraw/zinc/39/17/54/171391754.db2.gz PMIHUTRUSBRGDS-IOASZLSFSA-N 1 1 262.397 2.673 10 0 CFAEMO Cc1ccc(Cl)cc1NC(=O)C[NH2+]Cc1ccccn1 ZINC000035159740 172018169 /nfs/dbraw/zinc/01/81/69/172018169.db2.gz CPNYPTQVJMUSAH-UHFFFAOYSA-N 1 1 289.766 2.772 10 0 CFAEMO C[NH2+][C@@H](c1ccoc1)c1cc2c(cc1Cl)NC(=O)C2 ZINC000035507019 172239655 /nfs/dbraw/zinc/23/96/55/172239655.db2.gz WJHZHOXDKUKABX-AWEZNQCLSA-N 1 1 276.723 2.736 10 0 CFAEMO Cc1ccc(C[N@H+](C)Cc2ccccc2C(N)=S)o1 ZINC000035699751 172367954 /nfs/dbraw/zinc/36/79/54/172367954.db2.gz IZYVQOZZMHRTLU-UHFFFAOYSA-N 1 1 274.389 2.854 10 0 CFAEMO Cc1ccc(C)c([C@H](C)[NH2+][C@H](C)c2nncn2C)c1 ZINC000037016630 172876592 /nfs/dbraw/zinc/87/65/92/172876592.db2.gz WIMSUQBODBULGJ-QWHCGFSZSA-N 1 1 258.369 2.844 10 0 CFAEMO CC[C@@H](C)C[N@@H+](C)CCC(=O)Nc1ccccc1N ZINC000037172292 173005910 /nfs/dbraw/zinc/00/59/10/173005910.db2.gz GLDZAMHGAFCJGI-GFCCVEGCSA-N 1 1 263.385 2.575 10 0 CFAEMO CC[C@H](C)C[N@@H+](C)[C@@H](CN)c1cccc(OC)c1 ZINC000037172629 173006895 /nfs/dbraw/zinc/00/68/95/173006895.db2.gz BHPCKOHRMOMFPE-WFASDCNBSA-N 1 1 250.386 2.673 10 0 CFAEMO CC[C@H](C)CN(C)[C@@H](C[NH3+])c1cccc(OC)c1 ZINC000037172629 173006897 /nfs/dbraw/zinc/00/68/97/173006897.db2.gz BHPCKOHRMOMFPE-WFASDCNBSA-N 1 1 250.386 2.673 10 0 CFAEMO CC[C@H](C)C[N@@H+](C)[C@@H](CN)c1ccc(OC)cc1 ZINC000037172645 173007037 /nfs/dbraw/zinc/00/70/37/173007037.db2.gz YNHDJZFDHNHDEI-WFASDCNBSA-N 1 1 250.386 2.673 10 0 CFAEMO CC[C@H](C)CN(C)[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000037172645 173007039 /nfs/dbraw/zinc/00/70/39/173007039.db2.gz YNHDJZFDHNHDEI-WFASDCNBSA-N 1 1 250.386 2.673 10 0 CFAEMO CC[C@@H](C)C[N@@H+](C)C[C@H](N)c1ccc(OC)cc1 ZINC000037172978 173007074 /nfs/dbraw/zinc/00/70/74/173007074.db2.gz BMSZNAYERVJMQY-DOMZBBRYSA-N 1 1 250.386 2.673 10 0 CFAEMO CC[C@@H](C)CN(C)C[C@H]([NH3+])c1ccc(OC)cc1 ZINC000037172978 173007076 /nfs/dbraw/zinc/00/70/76/173007076.db2.gz BMSZNAYERVJMQY-DOMZBBRYSA-N 1 1 250.386 2.673 10 0 CFAEMO C[C@@H](NCc1cccc(F)c1)[C@H]1CCC[N@H+](C)C1 ZINC000037221932 173041820 /nfs/dbraw/zinc/04/18/20/173041820.db2.gz NVFKUCIVSKYEOY-OCCSQVGLSA-N 1 1 250.361 2.646 10 0 CFAEMO C[C@@H](NCc1cccc(F)c1)[C@H]1CCC[N@@H+](C)C1 ZINC000037221932 173041823 /nfs/dbraw/zinc/04/18/23/173041823.db2.gz NVFKUCIVSKYEOY-OCCSQVGLSA-N 1 1 250.361 2.646 10 0 CFAEMO Cc1ncsc1[C@@H](C)[NH2+]C[C@H](C(C)C)N(C)C ZINC000037233513 173052213 /nfs/dbraw/zinc/05/22/13/173052213.db2.gz YRUNJWFSOSDUFR-ZYHUDNBSSA-N 1 1 255.431 2.688 10 0 CFAEMO Cc1ncsc1[C@H](C)[NH2+]C[C@H](C(C)C)N(C)C ZINC000037233516 173052693 /nfs/dbraw/zinc/05/26/93/173052693.db2.gz YRUNJWFSOSDUFR-CMPLNLGQSA-N 1 1 255.431 2.688 10 0 CFAEMO CC[C@@H]([C@@H]([NH3+])c1ccccc1)N1CCC(OC)CC1 ZINC000037266089 173074482 /nfs/dbraw/zinc/07/44/82/173074482.db2.gz RGPMXROKEAPPOL-HOTGVXAUSA-N 1 1 262.397 2.576 10 0 CFAEMO CC[N@@H+]1CCC[C@@H]1CNCc1cc2c(c(Cl)c1)OCO2 ZINC000037301046 173106387 /nfs/dbraw/zinc/10/63/87/173106387.db2.gz VSXMVRPLAHHIPK-GFCCVEGCSA-N 1 1 296.798 2.643 10 0 CFAEMO CC[N@H+]1CCC[C@@H]1CNCc1cc2c(c(Cl)c1)OCO2 ZINC000037301046 173106389 /nfs/dbraw/zinc/10/63/89/173106389.db2.gz VSXMVRPLAHHIPK-GFCCVEGCSA-N 1 1 296.798 2.643 10 0 CFAEMO Cc1ncsc1[C@@H](C)NC1CC[NH+](C2CC2)CC1 ZINC000037318660 173119104 /nfs/dbraw/zinc/11/91/04/173119104.db2.gz JISSFRUEFNTSGT-LLVKDONJSA-N 1 1 265.426 2.729 10 0 CFAEMO CC[C@@H](C)[C@H]([NH3+])c1nc(Cc2ccc(F)cc2)no1 ZINC000037330923 173131813 /nfs/dbraw/zinc/13/18/13/173131813.db2.gz ZAGMVMNCWXPHHM-RNCFNFMXSA-N 1 1 263.316 2.845 10 0 CFAEMO C[C@@H](C(=O)c1ccc(Cl)s1)N1CCC[N@@H+](C)CC1 ZINC000037333682 173135310 /nfs/dbraw/zinc/13/53/10/173135310.db2.gz SBUNDZWPZJZPQI-JTQLQIEISA-N 1 1 286.828 2.610 10 0 CFAEMO CC[N@H+](CC(=O)c1cc(F)ccc1O)C1CCCC1 ZINC000037337534 173138297 /nfs/dbraw/zinc/13/82/97/173138297.db2.gz HJOCDMVAESVBNA-UHFFFAOYSA-N 1 1 265.328 2.979 10 0 CFAEMO CC[N@@H+](CC(=O)c1cc(F)ccc1O)C1CCCC1 ZINC000037337534 173138300 /nfs/dbraw/zinc/13/83/00/173138300.db2.gz HJOCDMVAESVBNA-UHFFFAOYSA-N 1 1 265.328 2.979 10 0 CFAEMO CC(C)[C@@H](C)[N@H+](C)CC(=O)c1cc(F)ccc1O ZINC000037339023 173140345 /nfs/dbraw/zinc/14/03/45/173140345.db2.gz XGHXABVKWIASBG-SNVBAGLBSA-N 1 1 253.317 2.690 10 0 CFAEMO CC(C)[C@@H](C)[N@@H+](C)CC(=O)c1cc(F)ccc1O ZINC000037339023 173140347 /nfs/dbraw/zinc/14/03/47/173140347.db2.gz XGHXABVKWIASBG-SNVBAGLBSA-N 1 1 253.317 2.690 10 0 CFAEMO Cc1c(C)n(-c2cccc(F)c2)c2nc[nH+]c(N)c12 ZINC000037352994 173146017 /nfs/dbraw/zinc/14/60/17/173146017.db2.gz VZDUERQXJHLDTK-UHFFFAOYSA-N 1 1 256.284 2.759 10 0 CFAEMO COC(=O)[C@H](CC(C)C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000037413484 173190393 /nfs/dbraw/zinc/19/03/93/173190393.db2.gz HPTLVLXZGUPCCP-HIFRSBDPSA-N 1 1 263.381 2.967 10 0 CFAEMO C[C@H]1C[N@@H+](Cc2ccc3ccccc3n2)C[C@]1(C)CO ZINC000662137758 414428482 /nfs/dbraw/zinc/42/84/82/414428482.db2.gz ALBDDOAGPOWHTB-SUMWQHHRSA-N 1 1 270.376 2.685 10 0 CFAEMO Nc1cccc2c1CC[N@@H+](CCc1ccccc1)C2 ZINC000038032617 174028310 /nfs/dbraw/zinc/02/83/10/174028310.db2.gz ZEPPSOLKKWNRCG-UHFFFAOYSA-N 1 1 252.361 2.870 10 0 CFAEMO Nc1cccc2c1CC[N@@H+](Cc1cccc(F)c1)C2 ZINC000038032576 174029090 /nfs/dbraw/zinc/02/90/90/174029090.db2.gz MLQBNAQPYPJZAW-UHFFFAOYSA-N 1 1 256.324 2.966 10 0 CFAEMO CCOC(=O)[C@@](C)(CC(C)(C)OC)[NH2+][C@@H](C)CC ZINC000038067527 174078880 /nfs/dbraw/zinc/07/88/80/174078880.db2.gz XTWBGAPZJXVIAU-SMDDNHRTSA-N 1 1 259.390 2.511 10 0 CFAEMO CCOc1cccc([C@@H](CN)[NH+]2CCC(C)CC2)c1 ZINC000038970636 174160619 /nfs/dbraw/zinc/16/06/19/174160619.db2.gz PZTLLTSJEABJAB-MRXNPFEDSA-N 1 1 262.397 2.817 10 0 CFAEMO [NH3+]Cc1nnc(SCc2ccc(F)cc2Cl)o1 ZINC000040173811 174200372 /nfs/dbraw/zinc/20/03/72/174200372.db2.gz RKFPSCKMUNXPEV-UHFFFAOYSA-N 1 1 273.720 2.613 10 0 CFAEMO COc1ccccc1-c1nc([C@H]2CCCC[NH2+]2)no1 ZINC000040443417 174263737 /nfs/dbraw/zinc/26/37/37/174263737.db2.gz BLMCUOPKNIZBCD-LLVKDONJSA-N 1 1 259.309 2.560 10 0 CFAEMO CC[N@@H+]1CCC[C@@H](N[C@@H](C)c2ccccc2F)C1 ZINC000040502194 174298160 /nfs/dbraw/zinc/29/81/60/174298160.db2.gz UVSDNCLRGJUJMH-QWHCGFSZSA-N 1 1 250.361 2.961 10 0 CFAEMO CC[N@H+]1CCC[C@@H](N[C@@H](C)c2ccccc2F)C1 ZINC000040502194 174298162 /nfs/dbraw/zinc/29/81/62/174298162.db2.gz UVSDNCLRGJUJMH-QWHCGFSZSA-N 1 1 250.361 2.961 10 0 CFAEMO CC[N@@H+]1CCC[C@H](NCc2cc3c(c(Cl)c2)OCO3)C1 ZINC000040502595 174298670 /nfs/dbraw/zinc/29/86/70/174298670.db2.gz WNSYGJUPPWXIAE-LBPRGKRZSA-N 1 1 296.798 2.643 10 0 CFAEMO CC[N@H+]1CCC[C@H](NCc2cc3c(c(Cl)c2)OCO3)C1 ZINC000040502595 174298672 /nfs/dbraw/zinc/29/86/72/174298672.db2.gz WNSYGJUPPWXIAE-LBPRGKRZSA-N 1 1 296.798 2.643 10 0 CFAEMO CC[N@H+]1CCC[C@H](Nc2ncccc2C(F)(F)F)C1 ZINC000040503255 174299711 /nfs/dbraw/zinc/29/97/11/174299711.db2.gz VHSPPFSNRLRZKE-JTQLQIEISA-N 1 1 273.302 2.997 10 0 CFAEMO CC[N@H+]1CCC[C@H](Nc2nnc(C)c3ccccc32)C1 ZINC000040503161 174299941 /nfs/dbraw/zinc/29/99/41/174299941.db2.gz HXEISPPHWKYHHY-ZDUSSCGKSA-N 1 1 270.380 2.834 10 0 CFAEMO Cc1cc(C)c(C(N)=S)c(N(C)[C@@H](C)C2CC2)[nH+]1 ZINC000040510356 174304472 /nfs/dbraw/zinc/30/44/72/174304472.db2.gz FTSQCTSQPJKFKG-JTQLQIEISA-N 1 1 263.410 2.567 10 0 CFAEMO C[NH2+]C[C@H]1CCCN(Cc2c[nH]c3ccccc23)C1 ZINC000040593383 174347780 /nfs/dbraw/zinc/34/77/80/174347780.db2.gz NPIRFBJJVNRUIQ-CYBMUJFWSA-N 1 1 257.381 2.599 10 0 CFAEMO CC(C)[N@H+]1CC[C@H](CNc2nncc3ccccc32)C1 ZINC000040623824 174355699 /nfs/dbraw/zinc/35/56/99/174355699.db2.gz WUCAIMLOLWZZOK-CYBMUJFWSA-N 1 1 270.380 2.772 10 0 CFAEMO CC[N@H+]([C@@H](CN)c1cccc(OC(C)C)c1)C1CC1 ZINC000040640989 174364609 /nfs/dbraw/zinc/36/46/09/174364609.db2.gz GQZJNKXEEORJEP-INIZCTEOSA-N 1 1 262.397 2.958 10 0 CFAEMO CC[N@@H+]([C@@H](CN)c1cccc(OC(C)C)c1)C1CC1 ZINC000040640989 174364611 /nfs/dbraw/zinc/36/46/11/174364611.db2.gz GQZJNKXEEORJEP-INIZCTEOSA-N 1 1 262.397 2.958 10 0 CFAEMO CC[C@H]1CC(=O)C[C@]23CC[N@@H+](C)[C@H](Cc4ccc(O)cc42)[C@H]13 ZINC000040662548 174365797 /nfs/dbraw/zinc/36/57/97/174365797.db2.gz SZIGYSMMOMTFKG-JHQYFNNDSA-N 1 1 299.414 2.896 10 0 CFAEMO C[N@H+]1CCC[C@H](Nc2ncccc2C(F)(F)F)C1 ZINC000040673549 174372224 /nfs/dbraw/zinc/37/22/24/174372224.db2.gz MCBCMBXAOQHNAX-VIFPVBQESA-N 1 1 259.275 2.607 10 0 CFAEMO CCOC1CCN([C@H]2CCc3ccccc3[C@@H]2[NH3+])CC1 ZINC000040689223 174375826 /nfs/dbraw/zinc/37/58/26/174375826.db2.gz DWKKUPHMNWGQRN-IRXDYDNUSA-N 1 1 274.408 2.502 10 0 CFAEMO CCOC1CCN([C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000040689329 174376239 /nfs/dbraw/zinc/37/62/39/174376239.db2.gz KKIQFNRJKOKVEY-LSDHHAIUSA-N 1 1 254.418 2.537 10 0 CFAEMO CCOC1CC[NH+]([C@@H]2CCCCCC[C@@H]2N)CC1 ZINC000040689329 174376240 /nfs/dbraw/zinc/37/62/40/174376240.db2.gz KKIQFNRJKOKVEY-LSDHHAIUSA-N 1 1 254.418 2.537 10 0 CFAEMO CCOC1CCN(CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000040690171 174376967 /nfs/dbraw/zinc/37/69/67/174376967.db2.gz VPAASLNJUZWUPM-INIZCTEOSA-N 1 1 262.397 2.577 10 0 CFAEMO CCOC1CC[NH+](CC[C@H](N)c2ccccc2)CC1 ZINC000040690171 174376968 /nfs/dbraw/zinc/37/69/68/174376968.db2.gz VPAASLNJUZWUPM-INIZCTEOSA-N 1 1 262.397 2.577 10 0 CFAEMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)c(N)c2)C1 ZINC000040716894 174384602 /nfs/dbraw/zinc/38/46/02/174384602.db2.gz WUIYHIIZIAWXRG-SNVBAGLBSA-N 1 1 281.787 2.593 10 0 CFAEMO COc1ccc(OC)c([C@@H](C)[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c1 ZINC000040749051 174393598 /nfs/dbraw/zinc/39/35/98/174393598.db2.gz UUIZPCRGYGEKFH-RLAWYHOSSA-N 1 1 290.407 2.719 10 0 CFAEMO COc1ccc(OC)c([C@@H](C)N2[C@@H]3CC[C@H]2CC([NH3+])C3)c1 ZINC000040749051 174393599 /nfs/dbraw/zinc/39/35/99/174393599.db2.gz UUIZPCRGYGEKFH-RLAWYHOSSA-N 1 1 290.407 2.719 10 0 CFAEMO COc1ccccc1[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749358 174393698 /nfs/dbraw/zinc/39/36/98/174393698.db2.gz RLNDVIMFCJQSHZ-RLAWYHOSSA-N 1 1 260.381 2.710 10 0 CFAEMO COc1ccccc1[C@@H](C)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749358 174393699 /nfs/dbraw/zinc/39/36/99/174393699.db2.gz RLNDVIMFCJQSHZ-RLAWYHOSSA-N 1 1 260.381 2.710 10 0 CFAEMO Nc1ccc2[nH]c(CC[S@@](=O)c3cccs3)[nH+]c2c1 ZINC000040968339 174442120 /nfs/dbraw/zinc/44/21/20/174442120.db2.gz GMOKBRKBIKAYBO-IBGZPJMESA-N 1 1 291.401 2.557 10 0 CFAEMO CCCO[C@H]1CCC[N@@H+](Cc2ccc(OC)c(N)c2)C1 ZINC000042408389 174714017 /nfs/dbraw/zinc/71/40/17/174714017.db2.gz OCBJAIQKOJJIRV-AWEZNQCLSA-N 1 1 278.396 2.668 10 0 CFAEMO C[N@H+]1CC[C@H](n2c3cccc(F)c3[nH]c2=S)C1 ZINC000042548483 174788952 /nfs/dbraw/zinc/78/89/52/174788952.db2.gz YGOTUFLBACHSTN-QMMMGPOBSA-N 1 1 251.330 2.715 10 0 CFAEMO COCC[N@@H+]([C@@H](C)C1CC1)[C@@](C)(CN)CCC(C)C ZINC000042615390 174828671 /nfs/dbraw/zinc/82/86/71/174828671.db2.gz MWEDDLKISAFFKQ-GOEBONIOSA-N 1 1 270.461 2.887 10 0 CFAEMO CCC(CC)[N@@H+](CCCCC(N)=S)CCOC ZINC000042679787 174834647 /nfs/dbraw/zinc/83/46/47/174834647.db2.gz IPJFBUKHXVYACR-UHFFFAOYSA-N 1 1 260.447 2.580 10 0 CFAEMO CC[C@@H](N)[C@H](c1ccccn1)[N@@H+]1CCC[C@@H](CC)C1 ZINC000043339411 175013996 /nfs/dbraw/zinc/01/39/96/175013996.db2.gz ZJVKXBNHECOZRA-IIAWOOMASA-N 1 1 261.413 2.982 10 0 CFAEMO CC[C@@H](N)[C@H](c1ccccn1)[N@H+]1CCC[C@@H](CC)C1 ZINC000043339411 175013998 /nfs/dbraw/zinc/01/39/98/175013998.db2.gz ZJVKXBNHECOZRA-IIAWOOMASA-N 1 1 261.413 2.982 10 0 CFAEMO CC[C@@H](N)[C@@H](c1ccncc1)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043354736 175022140 /nfs/dbraw/zinc/02/21/40/175022140.db2.gz MGMAGPSDFCVZCK-IAOVAPTHSA-N 1 1 291.439 2.607 10 0 CFAEMO CC[C@@H](N)[C@@H](c1ccncc1)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043354736 175022141 /nfs/dbraw/zinc/02/21/41/175022141.db2.gz MGMAGPSDFCVZCK-IAOVAPTHSA-N 1 1 291.439 2.607 10 0 CFAEMO CC[C@@H](N)[C@H](c1ccc(C)o1)[N@@H+]1CCCC[C@@H]1CCO ZINC000043363841 175025113 /nfs/dbraw/zinc/02/51/13/175025113.db2.gz PJQYBULPDAETHE-IIAWOOMASA-N 1 1 280.412 2.603 10 0 CFAEMO CC[C@@H](N)[C@H](c1ccc(C)o1)[N@H+]1CCCC[C@@H]1CCO ZINC000043363841 175025114 /nfs/dbraw/zinc/02/51/14/175025114.db2.gz PJQYBULPDAETHE-IIAWOOMASA-N 1 1 280.412 2.603 10 0 CFAEMO CC[C@H]([NH3+])[C@@H](Sc1nnc(C)[nH]1)c1ccc(C)o1 ZINC000043367743 175027771 /nfs/dbraw/zinc/02/77/71/175027771.db2.gz MAUJPEUEKFOYEQ-GXSJLCMTSA-N 1 1 266.370 2.585 10 0 CFAEMO CC[C@H]([NH3+])[C@@H](Sc1nc(C)n[nH]1)c1ccc(C)o1 ZINC000043367743 175027772 /nfs/dbraw/zinc/02/77/72/175027772.db2.gz MAUJPEUEKFOYEQ-GXSJLCMTSA-N 1 1 266.370 2.585 10 0 CFAEMO Cc1cc(C)cc([C@@H](CN)[N@H+](C)CCc2ccccn2)c1 ZINC000043393937 175035124 /nfs/dbraw/zinc/03/51/24/175035124.db2.gz FCVVBNNUYDXKFH-GOSISDBHSA-N 1 1 283.419 2.873 10 0 CFAEMO Cc1cc(C)cc([C@@H](CN)[N@@H+](C)CCc2ccccn2)c1 ZINC000043393937 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175148356 /nfs/dbraw/zinc/14/83/56/175148356.db2.gz XOXQDGCJQSJFFC-CVEARBPZSA-N 1 1 262.397 2.987 10 0 CFAEMO CC[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCc2ccccc2[C@@H]1O ZINC000044166354 175148688 /nfs/dbraw/zinc/14/86/88/175148688.db2.gz ZOFIASLRYLNWEC-UAGQMJEPSA-N 1 1 275.392 2.536 10 0 CFAEMO CC[N@H+](Cc1ccncc1)C[C@@H](O)c1ccc(OC)cc1 ZINC000044169563 175148746 /nfs/dbraw/zinc/14/87/46/175148746.db2.gz HEBFWGFEABHUKV-QGZVFWFLSA-N 1 1 286.375 2.646 10 0 CFAEMO CCc1ccc([C@H](O)[C@H](C)[N@@H+](CCOC)C2CC2)cc1 ZINC000044172228 175149267 /nfs/dbraw/zinc/14/92/67/175149267.db2.gz POLFTOUDAUUXOK-SUMWQHHRSA-N 1 1 277.408 2.782 10 0 CFAEMO CCC[C@@H](O)[C@H](CC)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000044173503 175149541 /nfs/dbraw/zinc/14/95/41/175149541.db2.gz BLLAGMNWBAICOX-AEGPPILISA-N 1 1 257.418 2.673 10 0 CFAEMO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cc([C@@H](C)O)ccc1OC ZINC000044176016 175149725 /nfs/dbraw/zinc/14/97/25/175149725.db2.gz CWYILVAPTCWSTL-XJKCOSOUSA-N 1 1 293.407 2.748 10 0 CFAEMO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cc([C@@H](C)O)ccc1OC ZINC000044176016 175149726 /nfs/dbraw/zinc/14/97/26/175149726.db2.gz CWYILVAPTCWSTL-XJKCOSOUSA-N 1 1 293.407 2.748 10 0 CFAEMO CC[C@@H]1CO[C@@H](C)C[N@H+]1[C@@H]1CCc2ccccc2[C@@H]1O ZINC000044175749 175150285 /nfs/dbraw/zinc/15/02/85/175150285.db2.gz KBELCHIPTNPTTJ-JFOHDYCDSA-N 1 1 275.392 2.534 10 0 CFAEMO CCC(C)(C)[C@@H]1CC[C@@H](O)[C@H]([N@@H+](C)CCOC)C1 ZINC000044177381 175150328 /nfs/dbraw/zinc/15/03/28/175150328.db2.gz WXLMHCIMFXWICJ-MGPQQGTHSA-N 1 1 257.418 2.530 10 0 CFAEMO COc1cccc([C@H](O)C[N@@H+](C)CCC(C)C)c1 ZINC000044178810 175150812 /nfs/dbraw/zinc/15/08/12/175150812.db2.gz OHAOQAZHVACSBG-OAHLLOKOSA-N 1 1 251.370 2.707 10 0 CFAEMO CCC(CC)[N@@H+](CCOC)C[C@@H](O)c1cccc(OC)c1 ZINC000044177930 175151029 /nfs/dbraw/zinc/15/10/29/175151029.db2.gz JMZYDJRGKUQVHM-QGZVFWFLSA-N 1 1 295.423 2.866 10 0 CFAEMO CCCOc1ccc([C@H](O)Cn2cc[nH+]c2C)cc1 ZINC000044180979 175151236 /nfs/dbraw/zinc/15/12/36/175151236.db2.gz XVCPSLVGAIGGIA-OAHLLOKOSA-N 1 1 260.337 2.714 10 0 CFAEMO Cc1[nH+]ccn1C[C@@H](O)c1ccc(OC(C)C)cc1 ZINC000044181013 175151573 /nfs/dbraw/zinc/15/15/73/175151573.db2.gz UTNHUQDHHWWVAT-OAHLLOKOSA-N 1 1 260.337 2.712 10 0 CFAEMO CCc1[nH+]ccn1[C@@H](C)[C@H](O)c1ccc(OC)cc1 ZINC000044189733 175153035 /nfs/dbraw/zinc/15/30/35/175153035.db2.gz JXKXQOUMZIBPKB-NHYWBVRUSA-N 1 1 260.337 2.749 10 0 CFAEMO COc1ccccc1C1CC([NH2+]C[C@@H]2CCCN(C)C2)C1 ZINC000044533469 175196944 /nfs/dbraw/zinc/19/69/44/175196944.db2.gz QYSXWKPRYDGSPL-FHERZECASA-N 1 1 288.435 2.873 10 0 CFAEMO CC[C@@H]([NH2+]C[C@H]1CCCN(C)C1)c1ccc(O)cc1 ZINC000044534771 175197358 /nfs/dbraw/zinc/19/73/58/175197358.db2.gz ICRDGHJDJTXDCU-CZUORRHYSA-N 1 1 262.397 2.775 10 0 CFAEMO COc1ccc(OC)c([C@@H](C)NC[C@H]2CCCC[N@@H+]2C)c1 ZINC000044561924 175205429 /nfs/dbraw/zinc/20/54/29/175205429.db2.gz RPKTTXWTXXWWTK-ZIAGYGMSSA-N 1 1 292.423 2.839 10 0 CFAEMO COc1ccc(OC)c([C@@H](C)NC[C@H]2CCCC[N@H+]2C)c1 ZINC000044561924 175205430 /nfs/dbraw/zinc/20/54/30/175205430.db2.gz RPKTTXWTXXWWTK-ZIAGYGMSSA-N 1 1 292.423 2.839 10 0 CFAEMO C[N@@H+]1CCCC[C@H]1CNCc1ccc(Br)o1 ZINC000044562011 175205693 /nfs/dbraw/zinc/20/56/93/175205693.db2.gz QYQLJSXQNHCOKW-JTQLQIEISA-N 1 1 287.201 2.616 10 0 CFAEMO C[N@H+]1CCCC[C@H]1CNCc1ccc(Br)o1 ZINC000044562011 175205694 /nfs/dbraw/zinc/20/56/94/175205694.db2.gz QYQLJSXQNHCOKW-JTQLQIEISA-N 1 1 287.201 2.616 10 0 CFAEMO CC(C)c1n[nH]c(=S)n1C[C@H]1CCCC[N@H+]1C ZINC000044563436 175206364 /nfs/dbraw/zinc/20/63/64/175206364.db2.gz VVVZPPZYWQMOHH-SNVBAGLBSA-N 1 1 254.403 2.548 10 0 CFAEMO C[N@H+]1CCCC[C@H]1CNc1ccc(N)cc1Cl ZINC000044563524 175206890 /nfs/dbraw/zinc/20/68/90/175206890.db2.gz IWRWPCDRVNZAET-NSHDSACASA-N 1 1 253.777 2.818 10 0 CFAEMO C[N@H+]1CCCC[C@@H]1CNc1ccc(Cl)cc1N ZINC000044563530 175207043 /nfs/dbraw/zinc/20/70/43/175207043.db2.gz RAHNCCMDDZHGDR-LLVKDONJSA-N 1 1 253.777 2.818 10 0 CFAEMO C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(Cl)ccc1F ZINC000044564378 175207292 /nfs/dbraw/zinc/20/72/92/175207292.db2.gz WCHPVBDVBLYGIV-LLVKDONJSA-N 1 1 284.762 2.693 10 0 CFAEMO CCOC[C@H](C)[NH2+][C@@H](c1cccs1)c1nccn1C ZINC000044691191 175233448 /nfs/dbraw/zinc/23/34/48/175233448.db2.gz LKGPBZSICROKKG-AAEUAGOBSA-N 1 1 279.409 2.586 10 0 CFAEMO COCCOCC[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000044693742 175234633 /nfs/dbraw/zinc/23/46/33/175234633.db2.gz BTMUWAPPWAILEE-MRXNPFEDSA-N 1 1 275.348 2.622 10 0 CFAEMO Nc1nc2cc(Cl)ccc2n1[C@H]1CC[N@H+](C2CC2)C1 ZINC000044726522 175238812 /nfs/dbraw/zinc/23/88/12/175238812.db2.gz YNWMHBHGNPATEN-NSHDSACASA-N 1 1 276.771 2.681 10 0 CFAEMO Cc1cc(CNc2c(C(N)=S)c[nH+]c3ccccc32)no1 ZINC000044727927 175239334 /nfs/dbraw/zinc/23/93/34/175239334.db2.gz NLEONNBGNXPMGJ-UHFFFAOYSA-N 1 1 298.371 2.778 10 0 CFAEMO CCOC(=O)[C@@](C)(CCOC)[NH2+]C1CCCCCC1 ZINC000045044387 175295585 /nfs/dbraw/zinc/29/55/85/175295585.db2.gz WIWUWTJHJBZRKW-OAHLLOKOSA-N 1 1 271.401 2.657 10 0 CFAEMO Cc1nnc(C[NH2+]Cc2ccc(C(C)C)cc2)n1C ZINC000045044770 175295599 /nfs/dbraw/zinc/29/55/99/175295599.db2.gz FLGVWQLWDBXBSY-UHFFFAOYSA-N 1 1 258.369 2.537 10 0 CFAEMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H]2C2CCCC2)c(N)c1 ZINC000045066928 175299911 /nfs/dbraw/zinc/29/99/11/175299911.db2.gz HKXLRWKNBWSLDC-MRXNPFEDSA-N 1 1 287.407 2.522 10 0 CFAEMO NC[C@@H](c1ccccn1)[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045067076 175300165 /nfs/dbraw/zinc/30/01/65/175300165.db2.gz HTOSNSQPOFHYAV-CVEARBPZSA-N 1 1 259.397 2.736 10 0 CFAEMO [NH3+]C[C@@H](c1ccccn1)N1CCC[C@@H]1C1CCCC1 ZINC000045067076 175300167 /nfs/dbraw/zinc/30/01/67/175300167.db2.gz HTOSNSQPOFHYAV-CVEARBPZSA-N 1 1 259.397 2.736 10 0 CFAEMO C[N@H+](CC(C)(C)C)[C@H](CN)c1ccc2c(c1)CCO2 ZINC000045069996 175300780 /nfs/dbraw/zinc/30/07/80/175300780.db2.gz CAOGXZPXEAEZQA-CQSZACIVSA-N 1 1 262.397 2.599 10 0 CFAEMO C[N@@H+](CC(C)(C)C)[C@H](CN)c1ccc2c(c1)CCO2 ZINC000045069996 175300782 /nfs/dbraw/zinc/30/07/82/175300782.db2.gz CAOGXZPXEAEZQA-CQSZACIVSA-N 1 1 262.397 2.599 10 0 CFAEMO CN[C@H](C[N@H+](C)CC(C)(C)C)c1ccc(OC)c(OC)c1 ZINC000045072473 175301822 /nfs/dbraw/zinc/30/18/22/175301822.db2.gz OJHQQTUSJISMOP-CQSZACIVSA-N 1 1 294.439 2.942 10 0 CFAEMO CN[C@H](C[N@@H+](C)CC(C)(C)C)c1ccc(OC)c(OC)c1 ZINC000045072473 175301824 /nfs/dbraw/zinc/30/18/24/175301824.db2.gz OJHQQTUSJISMOP-CQSZACIVSA-N 1 1 294.439 2.942 10 0 CFAEMO Nc1nc(C[N@H+]2CCC[C@@H]2C2CCCC2)cs1 ZINC000045074094 175302490 /nfs/dbraw/zinc/30/24/90/175302490.db2.gz CDQWPDLWWDVNEI-GFCCVEGCSA-N 1 1 251.399 2.880 10 0 CFAEMO CCC[N@@H+](CC(N)=S)Cc1ccc(Cl)s1 ZINC000045093494 175306580 /nfs/dbraw/zinc/30/65/80/175306580.db2.gz JCEPAVCWYXIKGZ-UHFFFAOYSA-N 1 1 262.831 2.900 10 0 CFAEMO CC(C)[N@H+]1CC[C@@H](CNc2cccc(F)c2N)C1 ZINC000045118703 175311335 /nfs/dbraw/zinc/31/13/35/175311335.db2.gz DBUAIEMQGVKQAE-NSHDSACASA-N 1 1 251.349 2.550 10 0 CFAEMO CC(C)[N@H+]1CC[C@@H](CNc2c(F)cc(N)cc2F)C1 ZINC000045118722 175311504 /nfs/dbraw/zinc/31/15/04/175311504.db2.gz NODRRFZMABULNZ-JTQLQIEISA-N 1 1 269.339 2.689 10 0 CFAEMO CCn1nc(C)c([C@H](C)NC[C@H]2CCC[N@@H+]2CC)c1C ZINC000045167698 175319538 /nfs/dbraw/zinc/31/95/38/175319538.db2.gz LHBRCHPMBIFJDP-SWLSCSKDSA-N 1 1 278.444 2.655 10 0 CFAEMO CCn1nc(C)c([C@H](C)NC[C@H]2CCC[N@H+]2CC)c1C ZINC000045167698 175319540 /nfs/dbraw/zinc/31/95/40/175319540.db2.gz LHBRCHPMBIFJDP-SWLSCSKDSA-N 1 1 278.444 2.655 10 0 CFAEMO Cc1nn(C)c(C)c1[C@H](C)NC[C@@H](CC(C)C)[NH+](C)C ZINC000045168908 175319967 /nfs/dbraw/zinc/31/99/67/175319967.db2.gz BPFLMEJCXZSTTA-SWLSCSKDSA-N 1 1 280.460 2.664 10 0 CFAEMO CCn1nc(C)c([C@H](C)N[C@H](C)C[NH+]2CCCC2)c1C ZINC000045172376 175321780 /nfs/dbraw/zinc/32/17/80/175321780.db2.gz ADAFNZCRESLVPT-OLZOCXBDSA-N 1 1 278.444 2.655 10 0 CFAEMO Cc1nn(C)c(C)c1[C@H](C)[N@H+]1CCc2c(N)cccc2C1 ZINC000045173250 175322177 /nfs/dbraw/zinc/32/21/77/175322177.db2.gz VQMVCGUTXUYJNS-ZDUSSCGKSA-N 1 1 284.407 2.738 10 0 CFAEMO CCCN[C@](C)(C[N@@H+](CC)C1CCCCC1)C(=O)OC ZINC000045224062 175331798 /nfs/dbraw/zinc/33/17/98/175331798.db2.gz AXRPUQRXYYBUSH-MRXNPFEDSA-N 1 1 284.444 2.572 10 0 CFAEMO CCCN[C@@](C)(CC[N@@H+]1[C@H](C)CCC[C@@H]1C)C(=O)OCC ZINC000045231951 175335508 /nfs/dbraw/zinc/33/55/08/175335508.db2.gz YFEMKVNDGUWDDF-UXLLHSPISA-N 1 1 298.471 2.961 10 0 CFAEMO CCCN[C@@](C)(CC[N@@H+](CC)[C@@H](C)CC)C(=O)OCC ZINC000045266603 175338903 /nfs/dbraw/zinc/33/89/03/175338903.db2.gz MACJQCDVYLSDND-HOCLYGCPSA-N 1 1 286.460 2.818 10 0 CFAEMO CCOC(=O)[C@@](C)(CC[N@@H+](C)C1CCCC1)NC(C)C ZINC000045266284 175339195 /nfs/dbraw/zinc/33/91/95/175339195.db2.gz FJEPVCUCCGEVTD-MRXNPFEDSA-N 1 1 284.444 2.571 10 0 CFAEMO CCCCC[N@@H+](C)CC[C@@](C)(NC1CC1)C(=O)OCC ZINC000045268280 175340488 /nfs/dbraw/zinc/34/04/88/175340488.db2.gz ZMHQYCOSLPIVTI-MRXNPFEDSA-N 1 1 284.444 2.572 10 0 CFAEMO CCCCC[N@@H+](CC[C@@](C)([NH2+]CC)C(=O)[O-])C(C)C ZINC000045278602 175348008 /nfs/dbraw/zinc/34/80/08/175348008.db2.gz GQGCNZTYPGLWQF-OAHLLOKOSA-N 1 1 272.433 2.730 10 0 CFAEMO CCCCC[N@@H+](CC[C@](C)(NCC)C(=O)OC)C(C)C ZINC000045278633 175349626 /nfs/dbraw/zinc/34/96/26/175349626.db2.gz PYRVZNJLPWTHDB-INIZCTEOSA-N 1 1 286.460 2.818 10 0 CFAEMO CCOC(=O)[C@](C)(CC[N@@H+](CC(C)C)C(C)C)NC1CC1 ZINC000045280793 175350971 /nfs/dbraw/zinc/35/09/71/175350971.db2.gz VARVOQLLHAIMCA-KRWDZBQOSA-N 1 1 298.471 2.817 10 0 CFAEMO COC(=O)[C@@](C)(CC[N@@H+](CC(C)C)C(C)C)NC(C)C ZINC000045280782 175351194 /nfs/dbraw/zinc/35/11/94/175351194.db2.gz TUSHMWTWOKZAFW-MRXNPFEDSA-N 1 1 286.460 2.673 10 0 CFAEMO CCOC(=O)[C@](C)(CC[N@@H+](CC1CC1)C(C)C)NC(C)C ZINC000045281058 175351358 /nfs/dbraw/zinc/35/13/58/175351358.db2.gz NRXOSFJEFMTEIQ-KRWDZBQOSA-N 1 1 298.471 2.817 10 0 CFAEMO CCC[NH2+][C@](C)(CC[N@@H+](CC(C)C)C(C)C)C(=O)[O-] ZINC000045280736 175351435 /nfs/dbraw/zinc/35/14/35/175351435.db2.gz ZLMKLUHRRMADAG-OAHLLOKOSA-N 1 1 272.433 2.586 10 0 CFAEMO CCCC[N@@H+](C[C@](C)(NC1CC1)C(=O)OCC)[C@@H](C)CC ZINC000045282583 175352433 /nfs/dbraw/zinc/35/24/33/175352433.db2.gz MVRMHPPSKHZBSK-YOEHRIQHSA-N 1 1 298.471 2.961 10 0 CFAEMO CCCN[C@@](C)(C[N@@H+](C)CC1CCCCC1)C(=O)OCC ZINC000045281571 175352695 /nfs/dbraw/zinc/35/26/95/175352695.db2.gz JEJQYLQCBFKYIX-KRWDZBQOSA-N 1 1 298.471 2.820 10 0 CFAEMO CCCC[N@@H+](CC[C@](C)(NCCC)C(N)=O)[C@@H](C)CC ZINC000045282664 175353576 /nfs/dbraw/zinc/35/35/76/175353576.db2.gz IZQMOAVSPQLGGU-HOCLYGCPSA-N 1 1 285.476 2.521 10 0 CFAEMO CCCC[N@@H+](CC)CCC[C@](C)(NC1CC1)C(=O)OCC ZINC000045370783 175364015 /nfs/dbraw/zinc/36/40/15/175364015.db2.gz LSQCPFCSEUCTMJ-KRWDZBQOSA-N 1 1 298.471 2.962 10 0 CFAEMO CCN[C@](C)(CCC[N@@H+](CC)C1CCCCC1)C(=O)OC ZINC000045372443 175364659 /nfs/dbraw/zinc/36/46/59/175364659.db2.gz MGVLKONCQKYXQY-QGZVFWFLSA-N 1 1 298.471 2.962 10 0 CFAEMO CCCN[C@H](C[N@@H+](CC)C1CCCCC1)C(=O)OCC ZINC000045372202 175364665 /nfs/dbraw/zinc/36/46/65/175364665.db2.gz QYBODQRPWSYJED-OAHLLOKOSA-N 1 1 284.444 2.572 10 0 CFAEMO CCN[C@@](C)(CCCC[N@H+]1CCCC[C@@H]1C)C(=O)OC ZINC000045376077 175366506 /nfs/dbraw/zinc/36/65/06/175366506.db2.gz DUACBFKLRWOEHS-HOCLYGCPSA-N 1 1 284.444 2.572 10 0 CFAEMO COC(=O)[C@](C)(CCC[N@@H+](C)C1CCCCC1)NC1CC1 ZINC000045379173 175368179 /nfs/dbraw/zinc/36/81/79/175368179.db2.gz MTDGXHPVASJSKJ-KRWDZBQOSA-N 1 1 296.455 2.715 10 0 CFAEMO CN[C@@](C)(CCCC[N@@H+]1[C@H](C)CCC[C@@H]1C)C(=O)OC ZINC000045379586 175368392 /nfs/dbraw/zinc/36/83/92/175368392.db2.gz IDKBPKKWHOGVTI-LZWOXQAQSA-N 1 1 284.444 2.571 10 0 CFAEMO CCOC(=O)[C@](C)(CCC[N@@H+](C)[C@@H](C)CC)NC1CC1 ZINC000045381479 175369593 /nfs/dbraw/zinc/36/95/93/175369593.db2.gz YRPVYLZTRGYRSV-BBRMVZONSA-N 1 1 284.444 2.571 10 0 CFAEMO CC[NH2+][C@](C)(CCCC[N@@H+](CC)CC(C)C)C(=O)[O-] ZINC000045381640 175370081 /nfs/dbraw/zinc/37/00/81/175370081.db2.gz RIFVODIEGISJQE-OAHLLOKOSA-N 1 1 272.433 2.587 10 0 CFAEMO CCCN[C@](C)(CCCC[N@@H+](C)CCC)C(=O)OCC ZINC000045382204 175370514 /nfs/dbraw/zinc/37/05/14/175370514.db2.gz TVFPQZIOJCRMEL-MRXNPFEDSA-N 1 1 286.460 2.820 10 0 CFAEMO CCCN[C@@](C)(CCCC[N@@H+](C)C1CC1)C(=O)OCC ZINC000045383212 175371381 /nfs/dbraw/zinc/37/13/81/175371381.db2.gz ZLNKXMCKKQHYBM-INIZCTEOSA-N 1 1 284.444 2.572 10 0 CFAEMO CCC[NH2+][C@@](C)(CCC[N@@H+](CCC)C(C)C)C(=O)[O-] ZINC000045385939 175372245 /nfs/dbraw/zinc/37/22/45/175372245.db2.gz CSROPEVHHZAZAI-HNNXBMFYSA-N 1 1 272.433 2.730 10 0 CFAEMO CCC[N@@H+](CCC[C@@](C)([NH2+]C(C)C)C(=O)[O-])C(C)C ZINC000045385950 175372286 /nfs/dbraw/zinc/37/22/86/175372286.db2.gz MTHHSUMHFFLFNW-OAHLLOKOSA-N 1 1 272.433 2.728 10 0 CFAEMO CCC[N@@H+](CCC[C@@](C)(NCC)C(=O)OCC)C1CC1 ZINC000045387606 175373872 /nfs/dbraw/zinc/37/38/72/175373872.db2.gz KSMDXIHTLXLKLB-MRXNPFEDSA-N 1 1 284.444 2.572 10 0 CFAEMO CC[NH2+][C@@](C)(CCCC[N@@H+](CC)C1CCCC1)C(=O)[O-] ZINC000045390417 175374585 /nfs/dbraw/zinc/37/45/85/175374585.db2.gz QFOIBWBVKXVWTG-INIZCTEOSA-N 1 1 284.444 2.874 10 0 CFAEMO CCN[C@@](C)(CCC[N@@H+](CC)C1CCCC1)C(=O)OC ZINC000045390614 175375081 /nfs/dbraw/zinc/37/50/81/175375081.db2.gz ZNQJASSGARBVHI-INIZCTEOSA-N 1 1 284.444 2.572 10 0 CFAEMO CCC[NH2+][C@](C)(CCCC[N@@H+](C)[C@@H](C)C(C)C)C(=O)[O-] ZINC000045391911 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/nfs/dbraw/zinc/00/82/69/177008269.db2.gz LJPIPVLZRWJFOX-LLVKDONJSA-N 1 1 265.353 2.517 10 0 CFAEMO COc1cc(C)c(COC(=O)[C@H](C)[NH3+])cc1C(C)C ZINC000076372421 177008700 /nfs/dbraw/zinc/00/87/00/177008700.db2.gz LJPIPVLZRWJFOX-NSHDSACASA-N 1 1 265.353 2.517 10 0 CFAEMO CC(C)(C)OC[C@@H](O)C[N@@H+](Cc1ccccc1F)C1CC1 ZINC000078778571 177387050 /nfs/dbraw/zinc/38/70/50/177387050.db2.gz SZKXSXVBEPWMCU-HNNXBMFYSA-N 1 1 295.398 2.966 10 0 CFAEMO CC(C)c1nnc(C[N@@H+]2CCC[C@@H](C)[C@H]2C)n1C ZINC000172865588 260022319 /nfs/dbraw/zinc/02/23/19/260022319.db2.gz ALXAQUSIKHWOFU-VXGBXAGGSA-N 1 1 250.390 2.559 10 0 CFAEMO CC(C)c1nnc(C[N@H+]2CCC[C@@H](C)[C@H]2C)n1C ZINC000172865588 260022320 /nfs/dbraw/zinc/02/23/20/260022320.db2.gz ALXAQUSIKHWOFU-VXGBXAGGSA-N 1 1 250.390 2.559 10 0 CFAEMO CCC[C@@H](C)[N@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000192729526 270233886 /nfs/dbraw/zinc/23/38/86/270233886.db2.gz GCEQNPIUOSSNDX-OLZOCXBDSA-N 1 1 250.390 2.666 10 0 CFAEMO Cc1[nH]ncc1C[NH2+]C(C)(C)CCNC(=O)OC(C)(C)C ZINC000397438842 270318216 /nfs/dbraw/zinc/31/82/16/270318216.db2.gz ASQQEAOKJIBETF-UHFFFAOYSA-N 1 1 296.415 2.501 10 0 CFAEMO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc(Cl)cc1F ZINC000399478975 270329066 /nfs/dbraw/zinc/32/90/66/270329066.db2.gz PFLVOTDPTQSZGX-JOYOIKCWSA-N 1 1 257.736 2.824 10 0 CFAEMO C[C@H]1CC[C@@H](O)C[N@H+]1Cc1ccc(Cl)cc1F ZINC000399478975 270329068 /nfs/dbraw/zinc/32/90/68/270329068.db2.gz PFLVOTDPTQSZGX-JOYOIKCWSA-N 1 1 257.736 2.824 10 0 CFAEMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1C[C@H](O)COCc1ccccc1 ZINC000399643174 270329436 /nfs/dbraw/zinc/32/94/36/270329436.db2.gz XZQMMJDFLQJYIH-DLTWYDFYSA-N 1 1 277.408 2.540 10 0 CFAEMO COC(=O)c1cccnc1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000336828883 274007341 /nfs/dbraw/zinc/00/73/41/274007341.db2.gz DPLNTJKGBMBDKQ-IUODEOHRSA-N 1 1 274.364 2.633 10 0 CFAEMO C[C@@H](CCc1ccccc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000094449174 274211466 /nfs/dbraw/zinc/21/14/66/274211466.db2.gz RJJXJQWQANAEFC-DOTOQJQBSA-N 1 1 258.409 2.788 10 0 CFAEMO C[C@@H](CCc1ccccc1)[N@@H+]1CCN2CCC[C@@H]2C1 ZINC000094449174 274211467 /nfs/dbraw/zinc/21/14/67/274211467.db2.gz RJJXJQWQANAEFC-DOTOQJQBSA-N 1 1 258.409 2.788 10 0 CFAEMO C[C@@H](CCc1ccccc1)[N@H+]1CCN2CCC[C@@H]2C1 ZINC000094449174 274211469 /nfs/dbraw/zinc/21/14/69/274211469.db2.gz RJJXJQWQANAEFC-DOTOQJQBSA-N 1 1 258.409 2.788 10 0 CFAEMO CC1(C)CCC[C@@H](C(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000245932773 276107286 /nfs/dbraw/zinc/10/72/86/276107286.db2.gz QVOXKSNQBJQRJK-KGLIPLIRSA-N 1 1 264.413 2.509 10 0 CFAEMO CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000191065926 276179391 /nfs/dbraw/zinc/17/93/91/276179391.db2.gz UWDQGNIMXNPPRH-HRCADAONSA-N 1 1 274.412 2.907 10 0 CFAEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1ccc(C)s1 ZINC000123388629 276183230 /nfs/dbraw/zinc/18/32/30/276183230.db2.gz KAURGRAECCDNKP-ZDUSSCGKSA-N 1 1 252.427 2.973 10 0 CFAEMO CCN1CCC[C@H]1C[N@H+](C)Cc1ccc(C)s1 ZINC000123388629 276183232 /nfs/dbraw/zinc/18/32/32/276183232.db2.gz KAURGRAECCDNKP-ZDUSSCGKSA-N 1 1 252.427 2.973 10 0 CFAEMO CCN1CCC[C@H]1C[N@@H+](C)Cc1ccc(C)s1 ZINC000123388629 276183233 /nfs/dbraw/zinc/18/32/33/276183233.db2.gz KAURGRAECCDNKP-ZDUSSCGKSA-N 1 1 252.427 2.973 10 0 CFAEMO CCC[NH+]1CCC(N[C@@H](CN(C)C)c2ccccc2)CC1 ZINC000020129272 276257807 /nfs/dbraw/zinc/25/78/07/276257807.db2.gz XAFREDHFKCQSJO-SFHVURJKSA-N 1 1 289.467 2.753 10 0 CFAEMO CC[C@@H]([NH2+][C@@H]1CCCn2ncnc21)c1ccc2c(c1)CCO2 ZINC000164688020 276533876 /nfs/dbraw/zinc/53/38/76/276533876.db2.gz OAHTUXSNXYVAFW-HUUCEWRRSA-N 1 1 298.390 2.789 10 0 CFAEMO COCC[N@H+]1CCN([C@@H](C)c2ccc(F)cc2F)C[C@@H]1C ZINC000106106980 277225575 /nfs/dbraw/zinc/22/55/75/277225575.db2.gz HQPCSBBXFVIXEC-STQMWFEESA-N 1 1 298.377 2.678 10 0 CFAEMO CC(C)c1nnc(C[N@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)n1C ZINC000182478141 278100347 /nfs/dbraw/zinc/10/03/47/278100347.db2.gz FYGLUGFLMJNWAN-MJBXVCDLSA-N 1 1 276.428 2.949 10 0 CFAEMO C[C@@H]([NH2+][C@@H]1CCCn2ncnc21)c1cccc(F)c1 ZINC000176684421 278372550 /nfs/dbraw/zinc/37/25/50/278372550.db2.gz 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CC[N@H+]1CCC[C@H](NC(=O)N[C@H](C)c2ccc(C)cc2)C1 ZINC000249750673 281065715 /nfs/dbraw/zinc/06/57/15/281065715.db2.gz CIINIFORFPUNGH-ZBFHGGJFSA-N 1 1 289.423 2.840 10 0 CFAEMO c1ccc(OCCCN2CC[N@H+]3CCCC[C@H]3C2)cc1 ZINC000250538377 281070286 /nfs/dbraw/zinc/07/02/86/281070286.db2.gz OGTITDBVYVDWKL-INIZCTEOSA-N 1 1 274.408 2.626 10 0 CFAEMO c1ccc(OCCC[N@@H+]2CCN3CCCC[C@H]3C2)cc1 ZINC000250538377 281070290 /nfs/dbraw/zinc/07/02/90/281070290.db2.gz OGTITDBVYVDWKL-INIZCTEOSA-N 1 1 274.408 2.626 10 0 CFAEMO c1ccc(OCCC[N@H+]2CCN3CCCC[C@H]3C2)cc1 ZINC000250538377 281070293 /nfs/dbraw/zinc/07/02/93/281070293.db2.gz OGTITDBVYVDWKL-INIZCTEOSA-N 1 1 274.408 2.626 10 0 CFAEMO O=C(/C=C\c1ccc(Cl)s1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000255727269 281105866 /nfs/dbraw/zinc/10/58/66/281105866.db2.gz HTEALLLWSSYLKS-VLWUPBBWSA-N 1 1 296.823 2.721 10 0 CFAEMO Clc1ccc(CNC[C@@H]2CC[NH2+]C2)cc1Cl ZINC000259031348 281111081 /nfs/dbraw/zinc/11/10/81/281111081.db2.gz ZSHNFGAEUQSSBW-SNVBAGLBSA-N 1 1 259.180 2.693 10 0 CFAEMO CCc1ccc(CN2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000300412147 281147002 /nfs/dbraw/zinc/14/70/02/281147002.db2.gz LNSYLHHLUVCSER-LBPRGKRZSA-N 1 1 250.411 2.591 10 0 CFAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(F)cc1C ZINC000125419323 281191984 /nfs/dbraw/zinc/19/19/84/281191984.db2.gz BNJPNULRSSNRSB-LSDHHAIUSA-N 1 1 290.382 2.833 10 0 CFAEMO O[C@@H]1CC[C@H]2C[N@@H+](CCc3ccc(Cl)cc3)C[C@@H]2C1 ZINC000398758654 281208239 /nfs/dbraw/zinc/20/82/39/281208239.db2.gz AYXSCSTVTWLHKD-OFQRWUPVSA-N 1 1 279.811 2.975 10 0 CFAEMO O[C@@H]1CC[C@@H]2C[N@@H+](CCCc3ccccc3)C[C@H]2C1 ZINC000398788979 281209157 /nfs/dbraw/zinc/20/91/57/281209157.db2.gz MXXKMQSOROTATP-BRWVUGGUSA-N 1 1 259.393 2.712 10 0 CFAEMO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC000399282453 281210059 /nfs/dbraw/zinc/21/00/59/281210059.db2.gz JLAUZBKJTAYPIB-ONGXEEELSA-N 1 1 257.736 2.824 10 0 CFAEMO C[C@H]1CC[C@H](O)C[N@H+]1Cc1ccc(Cl)c(F)c1 ZINC000399282453 281210060 /nfs/dbraw/zinc/21/00/60/281210060.db2.gz 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524121000 /nfs/dbraw/zinc/12/10/00/524121000.db2.gz YITKUMRWMOLXOH-NSHDSACASA-N 1 1 251.374 2.547 10 0 CFAEMO C[C@@H]1CCC[N@@H+](CCOc2ccc(C(N)=S)cc2)[C@@H]1C ZINC000050564896 524229440 /nfs/dbraw/zinc/22/94/40/524229440.db2.gz CRNZBMHPOOUMJM-CHWSQXEVSA-N 1 1 292.448 2.820 10 0 CFAEMO C[C@@H]1CCC[N@@H+](C[C@@H]2CNc3ccccc3O2)[C@@H]1C ZINC000050566805 524229516 /nfs/dbraw/zinc/22/95/16/524229516.db2.gz IBHBHCXNHNIMGJ-MCIONIFRSA-N 1 1 260.381 2.980 10 0 CFAEMO C[C@H](CN1CCCC1)[NH2+]Cc1cccc(F)c1F ZINC000049164527 524315527 /nfs/dbraw/zinc/31/55/27/524315527.db2.gz RXGKORMILVFZJO-LLVKDONJSA-N 1 1 254.324 2.539 10 0 CFAEMO C[C@@H](C1CC1)[N@@H+](C)Cc1nc2sccc2c(N)n1 ZINC000050813762 524321215 /nfs/dbraw/zinc/32/12/15/524321215.db2.gz YFGJYZCZLKTBAW-QMMMGPOBSA-N 1 1 262.382 2.504 10 0 CFAEMO COc1ccc(N)cc1C[NH+]1Cc2ccccc2C1 ZINC000050909901 524376171 /nfs/dbraw/zinc/37/61/71/524376171.db2.gz RTEFZEXFUAFLQM-UHFFFAOYSA-N 1 1 254.333 2.793 10 0 CFAEMO Cc1cc(C)cc([C@H](C)[NH2+]C[C@@H](O)CN2CCCCC2)c1 ZINC000151245917 524470523 /nfs/dbraw/zinc/47/05/23/524470523.db2.gz QUMSCAYGORMREO-FUHWJXTLSA-N 1 1 290.451 2.801 10 0 CFAEMO C[C@@H](C[NH+]1CCCC1)N[C@@H]1CCOc2ccccc21 ZINC000049149744 524594937 /nfs/dbraw/zinc/59/49/37/524594937.db2.gz KZCIOZOMTYBPAP-DZGCQCFKSA-N 1 1 260.381 2.584 10 0 CFAEMO C[C@H]1C[N@H+](Cc2cc3ccccc3nc2N)CC(C)(C)O1 ZINC000050816301 524614335 /nfs/dbraw/zinc/61/43/35/524614335.db2.gz LNBZQODQXKPMFZ-LBPRGKRZSA-N 1 1 285.391 2.816 10 0 CFAEMO C[C@H]1C[N@@H+](Cc2cc3ccccc3nc2N)CC(C)(C)O1 ZINC000050816301 524614340 /nfs/dbraw/zinc/61/43/40/524614340.db2.gz LNBZQODQXKPMFZ-LBPRGKRZSA-N 1 1 285.391 2.816 10 0 CFAEMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1ccc(F)cc1 ZINC000083704255 524684032 /nfs/dbraw/zinc/68/40/32/524684032.db2.gz JVUPVOUBRPYFLW-XJKSGUPXSA-N 1 1 262.372 2.884 10 0 CFAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1nc2cc(F)ccc2o1 ZINC000151441443 524689226 /nfs/dbraw/zinc/68/92/26/524689226.db2.gz BSPAZBAEBFZFQZ-WCQYABFASA-N 1 1 289.354 2.635 10 0 CFAEMO Cc1cccc(OCC[N@H+]2CCC[C@H]2CCCO)c1 ZINC000052762082 524738865 /nfs/dbraw/zinc/73/88/65/524738865.db2.gz USIPQCGEDRJDCY-HNNXBMFYSA-N 1 1 263.381 2.611 10 0 CFAEMO Cc1cc(CNC[C@H](C(C)C)[NH+](C)C)ccc1F ZINC000050544721 524757664 /nfs/dbraw/zinc/75/76/64/524757664.db2.gz XFLAGCBLGYAYEF-OAHLLOKOSA-N 1 1 252.377 2.810 10 0 CFAEMO COc1ccc(OCCC[N@@H+]2[C@H](C)COC[C@@H]2C)cc1 ZINC000077366480 524946416 /nfs/dbraw/zinc/94/64/16/524946416.db2.gz RDDZPFSBYCKYCZ-OKILXGFUSA-N 1 1 279.380 2.573 10 0 CFAEMO C[C@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)COC(C)(C)C ZINC000246331761 525118346 /nfs/dbraw/zinc/11/83/46/525118346.db2.gz JTTOAIHJKOOZTD-DZGCQCFKSA-N 1 1 277.408 2.782 10 0 CFAEMO COc1ccc([C@@H](CN)[N@@H+](C)CC(C)C)cc1C ZINC000050596571 525179026 /nfs/dbraw/zinc/17/90/26/525179026.db2.gz LRIOANOVGRLVDY-CQSZACIVSA-N 1 1 250.386 2.591 10 0 CFAEMO COc1ccc([C@@H](C[NH3+])N(C)CC(C)C)cc1C ZINC000050596571 525179043 /nfs/dbraw/zinc/17/90/43/525179043.db2.gz LRIOANOVGRLVDY-CQSZACIVSA-N 1 1 250.386 2.591 10 0 CFAEMO COc1ccc([C@@H]([NH3+])CN2CCC(C)(C)CC2)cc1 ZINC000061819611 525191240 /nfs/dbraw/zinc/19/12/40/525191240.db2.gz PKBUXHYAWVDGPP-HNNXBMFYSA-N 1 1 262.397 2.817 10 0 CFAEMO Cc1ccc(NC(=O)c2c[nH+]c(NN)c(Cl)c2)c(C)c1 ZINC000051096263 525251710 /nfs/dbraw/zinc/25/17/10/525251710.db2.gz TZDNPVKEAIABRO-UHFFFAOYSA-N 1 1 290.754 2.890 10 0 CFAEMO COc1ccc([C@H](C)[NH2+][C@@H](C)CN2CCCC2)c(F)c1 ZINC000049150977 525329859 /nfs/dbraw/zinc/32/98/59/525329859.db2.gz PTKNFLJHYQNESG-STQMWFEESA-N 1 1 280.387 2.969 10 0 CFAEMO COc1ccc([C@H](CN)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC000050596450 525351380 /nfs/dbraw/zinc/35/13/80/525351380.db2.gz LJYDEHYXVARJBC-ZENOOKHLSA-N 1 1 276.424 2.981 10 0 CFAEMO COc1ccc([C@H](C[NH3+])N2C[C@H](C)C[C@H](C)C2)cc1C ZINC000050596450 525351386 /nfs/dbraw/zinc/35/13/86/525351386.db2.gz LJYDEHYXVARJBC-ZENOOKHLSA-N 1 1 276.424 2.981 10 0 CFAEMO C[C@@H](NC[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(Cl)s1 ZINC000311086205 525474529 /nfs/dbraw/zinc/47/45/29/525474529.db2.gz XSPYEJAEIOJVOV-MWLCHTKSSA-N 1 1 288.844 2.507 10 0 CFAEMO C[C@@H]([NH2+]C[C@@H](O)CN(C)C1CC1)c1ccc(Cl)s1 ZINC000311086205 525474535 /nfs/dbraw/zinc/47/45/35/525474535.db2.gz XSPYEJAEIOJVOV-MWLCHTKSSA-N 1 1 288.844 2.507 10 0 CFAEMO COc1ccc2cc(C[N@@H+](C)CC3CC3)c(N)nc2c1 ZINC000050814554 525624832 /nfs/dbraw/zinc/62/48/32/525624832.db2.gz XGDDNGFATPWAAG-UHFFFAOYSA-N 1 1 271.364 2.667 10 0 CFAEMO C[C@H](O)CN1CC[N@@H+](CCC2C[C@H](C)C[C@@H](C)C2)C[C@H]1C ZINC000246264151 525768620 /nfs/dbraw/zinc/76/86/20/525768620.db2.gz RDUXCMVTBKNRFQ-VQHPVUNQSA-N 1 1 296.499 2.836 10 0 CFAEMO C[C@H](O)C[N@@H+]1CCN(CCC2C[C@H](C)C[C@@H](C)C2)C[C@H]1C ZINC000246264151 525768628 /nfs/dbraw/zinc/76/86/28/525768628.db2.gz RDUXCMVTBKNRFQ-VQHPVUNQSA-N 1 1 296.499 2.836 10 0 CFAEMO C[C@H](O)C[N@H+]1CCN(CCC2C[C@H](C)C[C@@H](C)C2)C[C@H]1C ZINC000246264151 525768636 /nfs/dbraw/zinc/76/86/36/525768636.db2.gz RDUXCMVTBKNRFQ-VQHPVUNQSA-N 1 1 296.499 2.836 10 0 CFAEMO C[C@@H](c1cccc(F)c1)[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000246306972 526073071 /nfs/dbraw/zinc/07/30/71/526073071.db2.gz ACDGQRLERYYZEP-UONOGXRCSA-N 1 1 288.370 2.890 10 0 CFAEMO C[C@@H](c1ccco1)[N@@H+](C)C[C@H](O)COCc1ccccc1 ZINC000069519426 526134102 /nfs/dbraw/zinc/13/41/02/526134102.db2.gz SMGINXYKYFPINF-HOCLYGCPSA-N 1 1 289.375 2.850 10 0 CFAEMO C[C@H](C(=O)Nc1ccccc1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195506517 526162335 /nfs/dbraw/zinc/16/23/35/526162335.db2.gz VHLWRNZDZGZVOM-CYBMUJFWSA-N 1 1 298.390 2.616 10 0 CFAEMO COc1cccc(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000246177334 526193135 /nfs/dbraw/zinc/19/31/35/526193135.db2.gz GMDBJAXOHUCEJY-IUODEOHRSA-N 1 1 291.395 2.545 10 0 CFAEMO Fc1ccc(CN[C@H]2CC[N@H+]3CCC[C@H]23)c(Cl)c1 ZINC000049568249 526341200 /nfs/dbraw/zinc/34/12/00/526341200.db2.gz WTUWIZPNCDXJFN-UONOGXRCSA-N 1 1 268.763 2.805 10 0 CFAEMO Fc1ccc(C[NH2+][C@H]2CCN3CCC[C@H]23)c(Cl)c1 ZINC000049568249 526341207 /nfs/dbraw/zinc/34/12/07/526341207.db2.gz WTUWIZPNCDXJFN-UONOGXRCSA-N 1 1 268.763 2.805 10 0 CFAEMO 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CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCc1cccs1 ZINC000092696054 650923624 /nfs/dbraw/zinc/92/36/24/650923624.db2.gz MIWQGAFYMSMKCH-ZIAGYGMSSA-N 1 1 264.438 2.849 10 0 CFAEMO COc1ccc([C@H](C)N[C@H](C)C[C@H]2CCC[NH2+]2)cc1OC ZINC000093465382 650940803 /nfs/dbraw/zinc/94/08/03/650940803.db2.gz USRSORZRKNDPPM-VNHYZAJKSA-N 1 1 292.423 2.885 10 0 CFAEMO COC(=O)[C@H]1C[N@H+](Cc2nc(C(C)(C)C)cs2)C[C@H]1C ZINC000094996553 650967120 /nfs/dbraw/zinc/96/71/20/650967120.db2.gz NCFXFBLRCLCOLC-MNOVXSKESA-N 1 1 296.436 2.682 10 0 CFAEMO COC(=O)[C@H]1C[N@@H+](Cc2nc(C(C)(C)C)cs2)C[C@H]1C ZINC000094996553 650967123 /nfs/dbraw/zinc/96/71/23/650967123.db2.gz NCFXFBLRCLCOLC-MNOVXSKESA-N 1 1 296.436 2.682 10 0 CFAEMO COC(=O)[C@H]1C[N@@H+](CCSc2ccc(F)cc2)C[C@H]1C ZINC000095015362 650967934 /nfs/dbraw/zinc/96/79/34/650967934.db2.gz DDYPVINZCGDJNR-RISCZKNCSA-N 1 1 297.395 2.659 10 0 CFAEMO FC(F)(F)c1ccc(N2CC[N@H+]3CCCC[C@H]3C2)cn1 ZINC000250083417 650970869 /nfs/dbraw/zinc/97/08/69/650970869.db2.gz 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C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(F)cc1)c1cccs1 ZINC000192941334 539522003 /nfs/dbraw/zinc/52/20/03/539522003.db2.gz LXLCRMWNVNATPH-NOZJJQNGSA-N 1 1 278.352 2.764 10 0 CFAEMO CC[N@H+]1CC[C@H](OC(=O)Nc2c(C)cccc2C)C1 ZINC000002010863 346206563 /nfs/dbraw/zinc/20/65/63/346206563.db2.gz BZMOMWMLUGUGGX-ZDUSSCGKSA-N 1 1 262.353 2.946 10 0 CFAEMO CCCCCCOc1nonc1C1=CCC[N@H+](C)C1 ZINC000013456741 346231737 /nfs/dbraw/zinc/23/17/37/346231737.db2.gz RPGXBVOTYIZDNY-UHFFFAOYSA-N 1 1 265.357 2.748 10 0 CFAEMO CCCCCCOc1nonc1C1=CCC[N@@H+](C)C1 ZINC000013456741 346231740 /nfs/dbraw/zinc/23/17/40/346231740.db2.gz RPGXBVOTYIZDNY-UHFFFAOYSA-N 1 1 265.357 2.748 10 0 CFAEMO CC[N@@H+](CC(=O)[O-])C1CC([NH2+][C@@H]2CCC(C)(C)C[C@@H]2C)C1 ZINC000263533099 383677769 /nfs/dbraw/zinc/67/77/69/383677769.db2.gz XQPZQIUVFPGVPK-VXGQWTEUSA-N 1 1 296.455 2.728 10 0 CFAEMO COc1ccc([C@]2(O)CC[C@@H]3CCCC[N@H+]3C2)cc1 ZINC000033756234 346313132 /nfs/dbraw/zinc/31/31/32/346313132.db2.gz AMNGAOPJPQBJRH-HOCLYGCPSA-N 1 1 261.365 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CCC[N@H+]1CCC[C@@H](NCc2ccc(C)nc2)CC1 ZINC000086844660 179354312 /nfs/dbraw/zinc/35/43/12/179354312.db2.gz PXCMQBXAPGSSLA-MRXNPFEDSA-N 1 1 261.413 2.744 10 0 CFAEMO CCC[N@H+]1CCC[C@@](NC)(c2nc(C)cs2)CC1 ZINC000086851393 179359472 /nfs/dbraw/zinc/35/94/72/179359472.db2.gz GSDSZSMBDJBAOV-AWEZNQCLSA-N 1 1 267.442 2.762 10 0 CFAEMO CCOC(=O)C[C@]1([NH+]2CCCCC2)CCCN(CC)CC1 ZINC000086868556 179360375 /nfs/dbraw/zinc/36/03/75/179360375.db2.gz DGAIZCVHKYTSJB-KRWDZBQOSA-N 1 1 296.455 2.670 10 0 CFAEMO CC(C)[N@H+]1CCC[C@](O)(c2ccc(F)cc2)CC1 ZINC000086867754 179360555 /nfs/dbraw/zinc/36/05/55/179360555.db2.gz SYYPOFSDUIJKDZ-OAHLLOKOSA-N 1 1 251.345 2.908 10 0 CFAEMO CCC[C@@]1(C(=O)[O-])CCC[N@H+]([C@@H]2CCC[NH+](CC)CC2)C1 ZINC000086869158 179361849 /nfs/dbraw/zinc/36/18/49/179361849.db2.gz LWXCHUSEPKVEMQ-NVXWUHKLSA-N 1 1 296.455 2.828 10 0 CFAEMO CCC[C@@]1(C(=O)[O-])CCC[NH+]([C@@H]2CCC[N@H+](CC)CC2)C1 ZINC000086869158 179361851 /nfs/dbraw/zinc/36/18/51/179361851.db2.gz LWXCHUSEPKVEMQ-NVXWUHKLSA-N 1 1 296.455 2.828 10 0 CFAEMO CCC[C@@]1(C(=O)[O-])CCC[NH+]([C@@H]2CCC[N@@H+](CC)CC2)C1 ZINC000086869158 179361854 /nfs/dbraw/zinc/36/18/54/179361854.db2.gz LWXCHUSEPKVEMQ-NVXWUHKLSA-N 1 1 296.455 2.828 10 0 CFAEMO CC(C)[N@H+]1CCC[C@@H]([NH+]2CCCCC[C@@H]2C(=O)[O-])CC1 ZINC000086869328 179363694 /nfs/dbraw/zinc/36/36/94/179363694.db2.gz UGALYBPTWFBTTQ-HUUCEWRRSA-N 1 1 282.428 2.579 10 0 CFAEMO CC(C)[NH+]1CCC[C@@H]([N@@H+]2CCCCC[C@@H]2C(=O)[O-])CC1 ZINC000086869328 179363695 /nfs/dbraw/zinc/36/36/95/179363695.db2.gz UGALYBPTWFBTTQ-HUUCEWRRSA-N 1 1 282.428 2.579 10 0 CFAEMO CC(C)[NH+]1CCC[C@@H]([N@H+]2CCCCC[C@@H]2C(=O)[O-])CC1 ZINC000086869328 179363696 /nfs/dbraw/zinc/36/36/96/179363696.db2.gz UGALYBPTWFBTTQ-HUUCEWRRSA-N 1 1 282.428 2.579 10 0 CFAEMO CCC[N@H+]1CCC[C@](O)(c2ccc(OC)c(F)c2)CC1 ZINC000086852721 179359126 /nfs/dbraw/zinc/35/91/26/179359126.db2.gz UPMUFERGMHVWMD-MRXNPFEDSA-N 1 1 281.371 2.918 10 0 CFAEMO CC[N@H+]1CCC[C@](O)(Cc2ccc(F)cc2)CC1 ZINC000086852018 179359266 /nfs/dbraw/zinc/35/92/66/179359266.db2.gz ZNTAUKIUCAPGHZ-OAHLLOKOSA-N 1 1 251.345 2.605 10 0 CFAEMO COc1ccc(CN[C@H](CC(C)C)C[NH+](C)C)c(F)c1 ZINC000228596982 348196752 /nfs/dbraw/zinc/19/67/52/348196752.db2.gz RQOMBXKSLMZTLY-CQSZACIVSA-N 1 1 282.403 2.900 10 0 CFAEMO CC[N@@H+]1CCC[C@@H](N[C@H](COC)c2ccc(F)c(F)c2)C1 ZINC000246106221 348260947 /nfs/dbraw/zinc/26/09/47/348260947.db2.gz ZDBLLESIYNCUIS-CZUORRHYSA-N 1 1 298.377 2.726 10 0 CFAEMO CC[N@H+]1CCC[C@@H](N[C@H](COC)c2ccc(F)c(F)c2)C1 ZINC000246106221 348260954 /nfs/dbraw/zinc/26/09/54/348260954.db2.gz ZDBLLESIYNCUIS-CZUORRHYSA-N 1 1 298.377 2.726 10 0 CFAEMO C[C@@H]1C[C@]2(C[N@H+]1Cc1ccccc1)NC[C@@H](C)CS2 ZINC000306281854 348385891 /nfs/dbraw/zinc/38/58/91/348385891.db2.gz YFGLDJKQEJNLGV-FMKPAKJESA-N 1 1 276.449 2.950 10 0 CFAEMO C[C@@H]1C[C@]2(CN1Cc1ccccc1)[NH2+]C[C@@H](C)CS2 ZINC000306281854 348385894 /nfs/dbraw/zinc/38/58/94/348385894.db2.gz YFGLDJKQEJNLGV-FMKPAKJESA-N 1 1 276.449 2.950 10 0 CFAEMO C[C@H]1[C@@H](Nc2ncc(N)s2)CC[N@H+]1Cc1ccccc1 ZINC000306976465 348394568 /nfs/dbraw/zinc/39/45/68/348394568.db2.gz NRKDTLVICNZRCU-AAEUAGOBSA-N 1 1 288.420 2.800 10 0 CFAEMO C[N@H+]1CCc2nc(NCc3ccccc3)sc2C1 ZINC000307191714 348397291 /nfs/dbraw/zinc/39/72/91/348397291.db2.gz KSGIUYABBRNPCH-UHFFFAOYSA-N 1 1 259.378 2.743 10 0 CFAEMO CC[N@@H+]1CC[C@H](N[C@H](C)c2ccc(C)cc2OC)C1 ZINC000389231202 348540097 /nfs/dbraw/zinc/54/00/97/348540097.db2.gz INGNRRCWOGARKM-KGLIPLIRSA-N 1 1 262.397 2.748 10 0 CFAEMO CC[N@H+]1CC[C@H](N[C@H](C)c2ccc(C)cc2OC)C1 ZINC000389231202 348540102 /nfs/dbraw/zinc/54/01/02/348540102.db2.gz INGNRRCWOGARKM-KGLIPLIRSA-N 1 1 262.397 2.748 10 0 CFAEMO OCCC[N@@H+](Cc1ccc2ccccc2n1)C1CC1 ZINC000404282880 348590211 /nfs/dbraw/zinc/59/02/11/348590211.db2.gz SXBLJUFWQRRINH-UHFFFAOYSA-N 1 1 256.349 2.582 10 0 CFAEMO c1ccc2c(c1)C[C@@H](c1noc([C@H]3CCCC[NH2+]3)n1)CO2 ZINC000087996443 179532427 /nfs/dbraw/zinc/53/24/27/179532427.db2.gz IAWNCZWCLSKAAK-CHWSQXEVSA-N 1 1 285.347 2.603 10 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C[C@H](O)C[C@@H]1C=CC[C@H](C[C@H](O)c2ccccc2)[N@H+]1C ZINC000005707505 170131949 /nfs/dbraw/zinc/13/19/49/170131949.db2.gz OLFGPECRQXQUAG-LLLHUVSDSA-N 1 1 275.392 2.510 10 0 CFAEMO COc1cccc([C@H](C)NC[C@@H](C(C)C)[NH+](C)C)c1 ZINC000020145680 171030875 /nfs/dbraw/zinc/03/08/75/171030875.db2.gz HLXNTIZNISORTI-BBRMVZONSA-N 1 1 264.413 2.932 10 0 CFAEMO CCC[N@H+](C)[C@@H](CN)c1ccc(OC(C)C)cc1 ZINC000020226582 171092102 /nfs/dbraw/zinc/09/21/02/171092102.db2.gz NYQRIPBINQLEQD-HNNXBMFYSA-N 1 1 250.386 2.815 10 0 CFAEMO CCC[N@@H+](C)[C@@H](CN)c1ccc(OC(C)C)cc1 ZINC000020226582 171092104 /nfs/dbraw/zinc/09/21/04/171092104.db2.gz NYQRIPBINQLEQD-HNNXBMFYSA-N 1 1 250.386 2.815 10 0 CFAEMO C[C@H]1CC(C)(C)C[C@](C[NH3+])(N2CCSCC2)C1 ZINC000020257133 171111469 /nfs/dbraw/zinc/11/14/69/171111469.db2.gz HQMNWVCLRCPNOR-GXTWGEPZSA-N 1 1 256.459 2.579 10 0 CFAEMO COC(C)(C)C[C@@H](C)[NH2+]CCCN1CCCCC1 ZINC000020524599 171237839 /nfs/dbraw/zinc/23/78/39/171237839.db2.gz RENOWKUUBYJMSH-CQSZACIVSA-N 1 1 256.434 2.656 10 0 CFAEMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1N ZINC000022153446 171360755 /nfs/dbraw/zinc/36/07/55/171360755.db2.gz DPZCVKSBEGHKFK-SNVBAGLBSA-N 1 1 281.787 2.735 10 0 CFAEMO C[C@H]1CCCC[N@H+]1CCCC(=O)Nc1ccccc1N ZINC000022155731 171362503 /nfs/dbraw/zinc/36/25/03/171362503.db2.gz LNAIHXGBPIGULY-ZDUSSCGKSA-N 1 1 275.396 2.862 10 0 CFAEMO CC(C)[N@@H+](C)CCC(=O)Nc1nc2ccc(N)cc2s1 ZINC000022164509 171365268 /nfs/dbraw/zinc/36/52/68/171365268.db2.gz SFCHJVZRFVQMLW-UHFFFAOYSA-N 1 1 292.408 2.547 10 0 CFAEMO COc1ccccc1[C@@H](CN)[N@H+](C)C1CCCCC1 ZINC000022213892 171374761 /nfs/dbraw/zinc/37/47/61/171374761.db2.gz WGYMIQMAXFTYOG-OAHLLOKOSA-N 1 1 262.397 2.960 10 0 CFAEMO COc1ccccc1[C@@H](CN)[N@@H+](C)C1CCCCC1 ZINC000022213892 171374762 /nfs/dbraw/zinc/37/47/62/171374762.db2.gz WGYMIQMAXFTYOG-OAHLLOKOSA-N 1 1 262.397 2.960 10 0 CFAEMO CC(C)[N@@H+](C)CCC(=O)Nc1ccc(Cl)c(N)c1 ZINC000022214615 171374778 /nfs/dbraw/zinc/37/47/78/171374778.db2.gz YDPUPUZLUWZZDI-UHFFFAOYSA-N 1 1 269.776 2.591 10 0 CFAEMO C[C@@H]([NH2+][C@@]1(C)CCS(=O)(=O)C1)c1ccccc1Cl ZINC000035223134 172067231 /nfs/dbraw/zinc/06/72/31/172067231.db2.gz LJKBWHVPHAIXOG-MFKMUULPSA-N 1 1 287.812 2.568 10 0 CFAEMO CN(Cc1cccs1)Cc1ccc(C(N)=[NH2+])cc1 ZINC000035717598 172371560 /nfs/dbraw/zinc/37/15/60/172371560.db2.gz GRWIYSHBKGTWLV-UHFFFAOYSA-N 1 1 259.378 2.664 10 0 CFAEMO CC[C@@H](CC[NH3+])Sc1nc2ccc(OC)cc2[nH]1 ZINC000035723963 172379352 /nfs/dbraw/zinc/37/93/52/172379352.db2.gz JSALWVXKNNEQOP-JTQLQIEISA-N 1 1 265.382 2.791 10 0 CFAEMO CCC1CCC(CN)([N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000037174599 173009619 /nfs/dbraw/zinc/00/96/19/173009619.db2.gz ISHGSICSYXVXCK-ROKHWSDSSA-N 1 1 256.459 2.721 10 0 CFAEMO CCC1CCC(C[NH3+])(N(C)[C@@H]2CCSC2)CC1 ZINC000037174599 173009620 /nfs/dbraw/zinc/00/96/20/173009620.db2.gz ISHGSICSYXVXCK-ROKHWSDSSA-N 1 1 256.459 2.721 10 0 CFAEMO CCN(CC)CC[NH2+][C@@H]1CSCc2ccccc21 ZINC000037202116 173025910 /nfs/dbraw/zinc/02/59/10/173025910.db2.gz HMQOLFDPJQSIKU-OAHLLOKOSA-N 1 1 264.438 2.906 10 0 CFAEMO C[C@H](NCc1ccc(F)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000037210004 173032092 /nfs/dbraw/zinc/03/20/92/173032092.db2.gz KEXWCUKQUWBRQY-GXTWGEPZSA-N 1 1 250.361 2.646 10 0 CFAEMO C[C@H](NCc1ccc(F)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000037210004 173032094 /nfs/dbraw/zinc/03/20/94/173032094.db2.gz KEXWCUKQUWBRQY-GXTWGEPZSA-N 1 1 250.361 2.646 10 0 CFAEMO C[C@H]([NH2+]Cc1ccc(F)cc1)[C@@H]1CCCN(C)C1 ZINC000037210004 173032097 /nfs/dbraw/zinc/03/20/97/173032097.db2.gz KEXWCUKQUWBRQY-GXTWGEPZSA-N 1 1 250.361 2.646 10 0 CFAEMO Cc1ncsc1[C@H](C)[NH2+]C[C@@H](C(C)C)N(C)C ZINC000037233511 173052514 /nfs/dbraw/zinc/05/25/14/173052514.db2.gz YRUNJWFSOSDUFR-JQWIXIFHSA-N 1 1 255.431 2.688 10 0 CFAEMO Cc1ncsc1[C@@H](C)[NH2+]C1CCN(C(C)C)CC1 ZINC000037236823 173054468 /nfs/dbraw/zinc/05/44/68/173054468.db2.gz AEBAOPHPFHLDQX-GFCCVEGCSA-N 1 1 267.442 2.975 10 0 CFAEMO CC(C)N(CC[NH2+]Cc1ccc2c(c1)OCO2)C(C)C ZINC000037301980 173106988 /nfs/dbraw/zinc/10/69/88/173106988.db2.gz OIPNFGAFDKAMNC-UHFFFAOYSA-N 1 1 278.396 2.624 10 0 CFAEMO COc1cc(C)ccc1C(=O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000037332592 173133249 /nfs/dbraw/zinc/13/32/49/173133249.db2.gz MYUKJJLSQXHDCU-CYBMUJFWSA-N 1 1 261.365 2.918 10 0 CFAEMO COc1cc(C)ccc1C(=O)C[N@H+]1CCC[C@@H](C)C1 ZINC000037332592 173133251 /nfs/dbraw/zinc/13/32/51/173133251.db2.gz MYUKJJLSQXHDCU-CYBMUJFWSA-N 1 1 261.365 2.918 10 0 CFAEMO Cc1[nH+]ccn1[C@H](C)C(=O)c1ccc(F)c(F)c1 ZINC000037340617 173142615 /nfs/dbraw/zinc/14/26/15/173142615.db2.gz IWKHBWFNBCYNJV-MRVPVSSYSA-N 1 1 250.248 2.914 10 0 CFAEMO CC(C)[C@@H](C)[N@@H+](C)[C@@H](CN)c1ccc2c(c1)CCO2 ZINC000037363870 173153057 /nfs/dbraw/zinc/15/30/57/173153057.db2.gz BVWDCZJHNJBAQL-DOMZBBRYSA-N 1 1 262.397 2.598 10 0 CFAEMO CC(C)[C@@H](C)N(C)[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037363870 173153059 /nfs/dbraw/zinc/15/30/59/173153059.db2.gz BVWDCZJHNJBAQL-DOMZBBRYSA-N 1 1 262.397 2.598 10 0 CFAEMO CCC[NH2+][C@H](c1cccc(OC)c1)c1ncccn1 ZINC000037536355 173255284 /nfs/dbraw/zinc/25/52/84/173255284.db2.gz HURNYPFTEGISHL-CQSZACIVSA-N 1 1 257.337 2.574 10 0 CFAEMO C[C@@H]1C[N@@H+](Cc2ccc3ccccc3n2)C[C@@]1(C)CO ZINC000662137756 414427766 /nfs/dbraw/zinc/42/77/66/414427766.db2.gz ALBDDOAGPOWHTB-DYVFJYSZSA-N 1 1 270.376 2.685 10 0 CFAEMO COc1cc([C@@H](C)NC[C@@H](C)[NH+]2CCCCC2)ccc1O ZINC000038028467 174017403 /nfs/dbraw/zinc/01/74/03/174017403.db2.gz KXVNIMOLORWCJA-ZIAGYGMSSA-N 1 1 292.423 2.926 10 0 CFAEMO Cc1cccc2c1OCCC[C@H]2NC[C@H](C)[NH+](C)C ZINC000038087428 174099436 /nfs/dbraw/zinc/09/94/36/174099436.db2.gz MHSLLUOKMIKBIY-DZGCQCFKSA-N 1 1 262.397 2.748 10 0 CFAEMO [NH3+]C[C@]1(NCc2ccccc2)CCc2ccccc2C1 ZINC000038438338 174141485 /nfs/dbraw/zinc/14/14/85/174141485.db2.gz XRQMDCPCPNCLBM-SFHVURJKSA-N 1 1 266.388 2.663 10 0 CFAEMO CCCN(CCC)[C@@H](C[NH3+])c1ccc(OC)c(OC)c1 ZINC000038808993 174156007 /nfs/dbraw/zinc/15/60/07/174156007.db2.gz QWTWKJBJGJMSPP-AWEZNQCLSA-N 1 1 280.412 2.826 10 0 CFAEMO COc1ccc([C@H](CN)[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000039789072 174173712 /nfs/dbraw/zinc/17/37/12/174173712.db2.gz FQFQEZHWJABZNH-ZENOOKHLSA-N 1 1 262.397 2.958 10 0 CFAEMO COc1ccc([C@H](CN)[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000039789072 174173713 /nfs/dbraw/zinc/17/37/13/174173713.db2.gz FQFQEZHWJABZNH-ZENOOKHLSA-N 1 1 262.397 2.958 10 0 CFAEMO C[N@H+]1CCC[C@@H]1CCOc1ccc(Cl)cc1N ZINC000040240438 174212842 /nfs/dbraw/zinc/21/28/42/174212842.db2.gz LMOBWOSHKMUNKB-LLVKDONJSA-N 1 1 254.761 2.785 10 0 CFAEMO CC[N@H+]1CCC[C@@H](N[C@@H](C)c2nc(C)sc2C)C1 ZINC000040502564 174298854 /nfs/dbraw/zinc/29/88/54/174298854.db2.gz QPEZATRGWRTYKN-GXFFZTMASA-N 1 1 267.442 2.895 10 0 CFAEMO CCN1CCC[C@@H]([NH2+][C@@H](C)c2nc(C)sc2C)C1 ZINC000040502564 174298856 /nfs/dbraw/zinc/29/88/56/174298856.db2.gz QPEZATRGWRTYKN-GXFFZTMASA-N 1 1 267.442 2.895 10 0 CFAEMO CCC(CC)N(C)c1[nH+]c(C)cc(C)c1C(N)=S ZINC000040510363 174304491 /nfs/dbraw/zinc/30/44/91/174304491.db2.gz UEKPOXTUTIZQJO-UHFFFAOYSA-N 1 1 265.426 2.957 10 0 CFAEMO CC(C)(Nc1cc[nH+]c2cc(Cl)ccc12)C(N)=O ZINC000040675389 174373357 /nfs/dbraw/zinc/37/33/57/174373357.db2.gz PDJAYSSROYLMLP-UHFFFAOYSA-N 1 1 263.728 2.564 10 0 CFAEMO CC(C)(C)Nc1nc[nH+]c(NCc2ccccc2)c1N ZINC000040680428 174374745 /nfs/dbraw/zinc/37/47/45/174374745.db2.gz VZNMHDMJPYOKKI-UHFFFAOYSA-N 1 1 271.368 2.881 10 0 CFAEMO CC(C)(C)Nc1[nH+]cnc(NCc2ccccc2)c1N ZINC000040680428 174374747 /nfs/dbraw/zinc/37/47/47/174374747.db2.gz VZNMHDMJPYOKKI-UHFFFAOYSA-N 1 1 271.368 2.881 10 0 CFAEMO CCOC1CCN([C@H](CC)[C@H]([NH3+])c2ccccc2)CC1 ZINC000040689229 174376054 /nfs/dbraw/zinc/37/60/54/174376054.db2.gz PUSVZDHKWGPIFX-IAGOWNOFSA-N 1 1 276.424 2.966 10 0 CFAEMO CCOC1CC[NH+]([C@@H](C)[C@H](N)c2ccc(OC)cc2)CC1 ZINC000040689270 174376649 /nfs/dbraw/zinc/37/66/49/174376649.db2.gz HOGUMBBFVNDZCX-GUYCJALGSA-N 1 1 292.423 2.584 10 0 CFAEMO CC(C)Nc1nc[nH+]c(NCCc2ccccc2)c1N ZINC000040708023 174380386 /nfs/dbraw/zinc/38/03/86/174380386.db2.gz UXVPXBDQDOXLHH-UHFFFAOYSA-N 1 1 271.368 2.534 10 0 CFAEMO CC(C)Nc1[nH+]cnc(NCCc2ccccc2)c1N ZINC000040708023 174380388 /nfs/dbraw/zinc/38/03/88/174380388.db2.gz UXVPXBDQDOXLHH-UHFFFAOYSA-N 1 1 271.368 2.534 10 0 CFAEMO CCN(CC)c1nc[nH+]c(NCc2ccccc2)c1N ZINC000040709210 174380557 /nfs/dbraw/zinc/38/05/57/174380557.db2.gz DALRSGIEZYYWBQ-UHFFFAOYSA-N 1 1 271.368 2.517 10 0 CFAEMO Cc1nc2cc(N[C@@H]3CCC[N@H+](C)C3)c(N)cc2s1 ZINC000040715784 174383004 /nfs/dbraw/zinc/38/30/04/174383004.db2.gz MEIFZIQSJNNFMA-SNVBAGLBSA-N 1 1 276.409 2.693 10 0 CFAEMO C[N@@H+]1CCC[C@@H](n2c(N)nc3cccc(Cl)c32)C1 ZINC000040715945 174383699 /nfs/dbraw/zinc/38/36/99/174383699.db2.gz KEJYBHNTPRYLPE-SECBINFHSA-N 1 1 264.760 2.539 10 0 CFAEMO C[N@H+]1CCC[C@@H](n2c(N)nc3cccc(Cl)c32)C1 ZINC000040715945 174383700 /nfs/dbraw/zinc/38/37/00/174383700.db2.gz KEJYBHNTPRYLPE-SECBINFHSA-N 1 1 264.760 2.539 10 0 CFAEMO CCN(Cc1ccc(O)c(OC)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747462 174392539 /nfs/dbraw/zinc/39/25/39/174392539.db2.gz XLXGIRZKMIOPIK-YIONKMFJSA-N 1 1 290.407 2.506 10 0 CFAEMO [NH3+]C1C[C@H]2CC[C@@H](C1)N2CCOc1cccc(Cl)c1 ZINC000040750139 174394705 /nfs/dbraw/zinc/39/47/05/174394705.db2.gz DLDCGQSQDRBEMT-AGUYFDCRSA-N 1 1 280.799 2.673 10 0 CFAEMO CC(C)C[C@@H](C)[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1N ZINC000042561725 174797012 /nfs/dbraw/zinc/79/70/12/174797012.db2.gz RLVHIPNEZXUNET-OLZOCXBDSA-N 1 1 277.412 2.962 10 0 CFAEMO C[C@@H]([NH2+]CCc1ccsc1)[C@H]1CCCN(C)C1 ZINC000042599940 174816414 /nfs/dbraw/zinc/81/64/14/174816414.db2.gz QHMAAAFZBXFEJT-OCCSQVGLSA-N 1 1 252.427 2.611 10 0 CFAEMO CC(C)[C@@H]([NH2+][C@H]1CCCNC1)c1ccc(F)cc1 ZINC000043326148 175007378 /nfs/dbraw/zinc/00/73/78/175007378.db2.gz MZPLUGXARJKTLU-LSDHHAIUSA-N 1 1 250.361 2.864 10 0 CFAEMO CC(C)[C@H]([NH2+][C@@H]1CCCNC1)c1ccc(F)cc1 ZINC000043326142 175007782 /nfs/dbraw/zinc/00/77/82/175007782.db2.gz MZPLUGXARJKTLU-CABCVRRESA-N 1 1 250.361 2.864 10 0 CFAEMO CC[C@@H](N)[C@H](c1ccccn1)[NH+]1CCC(CC)CC1 ZINC000043339926 175013811 /nfs/dbraw/zinc/01/38/11/175013811.db2.gz QHNMVMKXZIXVKB-GDBMZVCRSA-N 1 1 261.413 2.982 10 0 CFAEMO C[C@@H](N)[C@H](c1ccccn1)[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000043341010 175015216 /nfs/dbraw/zinc/01/52/16/175015216.db2.gz LOLMMIAVRKCHMX-SJXGUFTOSA-N 1 1 261.413 2.980 10 0 CFAEMO C[C@@H]([NH3+])[C@H](c1ccccn1)N(C)[C@@H]1CCCC[C@@H]1C ZINC000043341010 175015217 /nfs/dbraw/zinc/01/52/17/175015217.db2.gz LOLMMIAVRKCHMX-SJXGUFTOSA-N 1 1 261.413 2.980 10 0 CFAEMO CC[C@H](N)[C@H](c1ccncc1)[NH+]1CCC(CC)CC1 ZINC000043354071 175021171 /nfs/dbraw/zinc/02/11/71/175021171.db2.gz MYYFLQVTCYKUFP-HOTGVXAUSA-N 1 1 261.413 2.982 10 0 CFAEMO CC[C@H](N)[C@@H](c1ccncc1)[N@H+](CC(C)C)C1CC1 ZINC000043354657 175022014 /nfs/dbraw/zinc/02/20/14/175022014.db2.gz FZFIPUVATVGYLV-JKSUJKDBSA-N 1 1 261.413 2.980 10 0 CFAEMO CC[C@H](N)[C@@H](c1ccncc1)[N@@H+](CC(C)C)C1CC1 ZINC000043354657 175022015 /nfs/dbraw/zinc/02/20/15/175022015.db2.gz FZFIPUVATVGYLV-JKSUJKDBSA-N 1 1 261.413 2.980 10 0 CFAEMO COCC[N@H+](CC(C)C)[C@@H](c1ccc(C)o1)[C@@H](C)N ZINC000043364966 175025225 /nfs/dbraw/zinc/02/52/25/175025225.db2.gz FDCLFQVYQDBYDI-UKRRQHHQSA-N 1 1 268.401 2.581 10 0 CFAEMO COCC[N@@H+](CC(C)C)[C@@H](c1ccc(C)o1)[C@@H](C)N ZINC000043364966 175025226 /nfs/dbraw/zinc/02/52/26/175025226.db2.gz FDCLFQVYQDBYDI-UKRRQHHQSA-N 1 1 268.401 2.581 10 0 CFAEMO CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)N1CCN(C(C)(C)C)CC1 ZINC000043364759 175025607 /nfs/dbraw/zinc/02/56/07/175025607.db2.gz YATSNJFDUAGKNQ-GDBMZVCRSA-N 1 1 293.455 2.783 10 0 CFAEMO Cc1cc(C)cc([C@@H](CN)[N@@H+]2CCCSCC2)c1 ZINC000043394318 175034985 /nfs/dbraw/zinc/03/49/85/175034985.db2.gz IPPXNGHVXWEDGP-OAHLLOKOSA-N 1 1 264.438 2.742 10 0 CFAEMO Cc1cc(C)cc([C@@H](CN)[N@H+]2CCCSCC2)c1 ZINC000043394318 175034987 /nfs/dbraw/zinc/03/49/87/175034987.db2.gz IPPXNGHVXWEDGP-OAHLLOKOSA-N 1 1 264.438 2.742 10 0 CFAEMO CC(C)CN(CCC(N)=[NH2+])Cc1cccc(F)c1 ZINC000043422977 175039177 /nfs/dbraw/zinc/03/91/77/175039177.db2.gz GVQSEDXLGSVNES-UHFFFAOYSA-N 1 1 251.349 2.610 10 0 CFAEMO COc1ccc2nc(SC[C@H]3CCCC[NH2+]3)[nH]c2c1 ZINC000043495160 175058184 /nfs/dbraw/zinc/05/81/84/175058184.db2.gz AYWFAJKETDLMHU-SNVBAGLBSA-N 1 1 277.393 2.806 10 0 CFAEMO CCN(CCC[NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000043511960 175060677 /nfs/dbraw/zinc/06/06/77/175060677.db2.gz PZJVFLCLPKENFY-UHFFFAOYSA-N 1 1 260.303 2.876 10 0 CFAEMO CC[C@@H](C(N)=S)[N@H+]1CCc2sccc2[C@@H]1C ZINC000043540712 175064122 /nfs/dbraw/zinc/06/41/22/175064122.db2.gz VEUSPRORQUEFGN-WPRPVWTQSA-N 1 1 254.424 2.732 10 0 CFAEMO CCOC(=O)[C@H](C)C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000043619300 175080050 /nfs/dbraw/zinc/08/00/50/175080050.db2.gz ACCYZMDJAYWDGA-LLVKDONJSA-N 1 1 269.772 2.971 10 0 CFAEMO CCOC(=O)[C@@H](C)C[N@@H+](C)Cc1cccc(Cl)c1 ZINC000043619295 175080090 /nfs/dbraw/zinc/08/00/90/175080090.db2.gz XSAWWZIZTOQRGG-NSHDSACASA-N 1 1 269.772 2.971 10 0 CFAEMO CCC[NH2+][C@H]1CCCCCC[C@H]1N1CCN(CC)CC1 ZINC000043806200 175108252 /nfs/dbraw/zinc/10/82/52/175108252.db2.gz BIXOYYJJRAASIB-DLBZAZTESA-N 1 1 281.488 2.715 10 0 CFAEMO CCC[NH2+][C@H](c1ccccc1)[C@@H](C)N1CCN(CC)CC1 ZINC000043806161 175108282 /nfs/dbraw/zinc/10/82/82/175108282.db2.gz STGMPLZMAHJTOU-AEFFLSMTSA-N 1 1 289.467 2.753 10 0 CFAEMO CCN[C@H](c1ccc(OC)cc1)[C@H](C)[NH+]1CCCC1 ZINC000043807412 175108529 /nfs/dbraw/zinc/10/85/29/175108529.db2.gz NWPRQXIQSXSGAQ-BBRMVZONSA-N 1 1 262.397 2.830 10 0 CFAEMO CC[NH+](CC)C[C@H](NC)c1cc(C)ccc1OC ZINC000043809027 175109341 /nfs/dbraw/zinc/10/93/41/175109341.db2.gz VPFHPFXZNZTXTP-AWEZNQCLSA-N 1 1 250.386 2.606 10 0 CFAEMO CC[NH+](CC)[C@@H](C)[C@H](NC)c1ccc(OC)cc1 ZINC000043808999 175109562 /nfs/dbraw/zinc/10/95/62/175109562.db2.gz XICVOPIKSGJCLK-WFASDCNBSA-N 1 1 250.386 2.686 10 0 CFAEMO CC[NH2+][C@H](c1ccc(CC)cc1)[C@@H](C)N1CCN(C)CC1 ZINC000043810888 175110028 /nfs/dbraw/zinc/11/00/28/175110028.db2.gz QJSGFMGAMRWCML-QAPCUYQASA-N 1 1 289.467 2.536 10 0 CFAEMO CC[NH2+][C@H](CN1CCN(C)CC1)c1ccc(C(C)C)cc1 ZINC000043810858 175110604 /nfs/dbraw/zinc/11/06/04/175110604.db2.gz OYOVLZUOVHMLOJ-GOSISDBHSA-N 1 1 289.467 2.708 10 0 CFAEMO CCN[C@@H]1c2ccccc2OC[C@H]1[NH+]1CCCCCC1 ZINC000043812239 175110681 /nfs/dbraw/zinc/11/06/81/175110681.db2.gz ZHVWLPNQONVTBQ-NVXWUHKLSA-N 1 1 274.408 2.974 10 0 CFAEMO CCN[C@H](C[N@H+](C)C(C)C)c1cc(OC)ccc1OC ZINC000043813405 175111062 /nfs/dbraw/zinc/11/10/62/175111062.db2.gz KGHCXFLPVMDWSJ-OAHLLOKOSA-N 1 1 280.412 2.695 10 0 CFAEMO CCN[C@H](C[N@@H+](C)C(C)C)c1cc(OC)ccc1OC ZINC000043813405 175111063 /nfs/dbraw/zinc/11/10/63/175111063.db2.gz KGHCXFLPVMDWSJ-OAHLLOKOSA-N 1 1 280.412 2.695 10 0 CFAEMO CCN[C@@H](C[N@H+](C)C(C)C)c1ccc(OC)c(OC)c1 ZINC000043813523 175111683 /nfs/dbraw/zinc/11/16/83/175111683.db2.gz UVYPAUQWWJVHHU-AWEZNQCLSA-N 1 1 280.412 2.695 10 0 CFAEMO CCN[C@@H](C[N@@H+](C)C(C)C)c1ccc(OC)c(OC)c1 ZINC000043813523 175111685 /nfs/dbraw/zinc/11/16/85/175111685.db2.gz UVYPAUQWWJVHHU-AWEZNQCLSA-N 1 1 280.412 2.695 10 0 CFAEMO CCCC[N@H+](C)C[C@H](NC)c1cc(OC)ccc1OC ZINC000043816740 175112200 /nfs/dbraw/zinc/11/22/00/175112200.db2.gz FFLGKQYVFPHREJ-HNNXBMFYSA-N 1 1 280.412 2.696 10 0 CFAEMO CCCC[N@@H+](C)C[C@H](NC)c1cc(OC)ccc1OC ZINC000043816740 175112201 /nfs/dbraw/zinc/11/22/01/175112201.db2.gz FFLGKQYVFPHREJ-HNNXBMFYSA-N 1 1 280.412 2.696 10 0 CFAEMO CCCC[N@H+](C)C[C@@H](NC)c1ccc2c(c1)OCCCO2 ZINC000043816792 175112573 /nfs/dbraw/zinc/11/25/73/175112573.db2.gz FHWVLHFKBHLTJY-OAHLLOKOSA-N 1 1 292.423 2.840 10 0 CFAEMO CCCC[N@@H+](C)C[C@@H](NC)c1ccc2c(c1)OCCCO2 ZINC000043816792 175112574 /nfs/dbraw/zinc/11/25/74/175112574.db2.gz FHWVLHFKBHLTJY-OAHLLOKOSA-N 1 1 292.423 2.840 10 0 CFAEMO CCCC[N@H+](C)C[C@H](NC)c1ccc2c(c1)OCCCO2 ZINC000043816791 175112611 /nfs/dbraw/zinc/11/26/11/175112611.db2.gz FHWVLHFKBHLTJY-HNNXBMFYSA-N 1 1 292.423 2.840 10 0 CFAEMO CCCC[N@@H+](C)C[C@H](NC)c1ccc2c(c1)OCCCO2 ZINC000043816791 175112612 /nfs/dbraw/zinc/11/26/12/175112612.db2.gz FHWVLHFKBHLTJY-HNNXBMFYSA-N 1 1 292.423 2.840 10 0 CFAEMO CN[C@H](C[N@@H+](C)C1CCCC1)c1cc(OC)ccc1OC ZINC000043883655 175116066 /nfs/dbraw/zinc/11/60/66/175116066.db2.gz GVBMPBZNQFDEFP-MRXNPFEDSA-N 1 1 292.423 2.839 10 0 CFAEMO C[NH2+][C@H](CN(C)C1CCCC1)c1cc(OC)ccc1OC ZINC000043883655 175116067 /nfs/dbraw/zinc/11/60/67/175116067.db2.gz GVBMPBZNQFDEFP-MRXNPFEDSA-N 1 1 292.423 2.839 10 0 CFAEMO CCC[N@H+](CC)C[C@@H](NC)c1ccc2c(c1)OCCCO2 ZINC000043884421 175116660 /nfs/dbraw/zinc/11/66/60/175116660.db2.gz DCKVPHSBFADTFY-OAHLLOKOSA-N 1 1 292.423 2.840 10 0 CFAEMO CCC[N@@H+](CC)C[C@@H](NC)c1ccc2c(c1)OCCCO2 ZINC000043884421 175116661 /nfs/dbraw/zinc/11/66/61/175116661.db2.gz DCKVPHSBFADTFY-OAHLLOKOSA-N 1 1 292.423 2.840 10 0 CFAEMO CCC[N@H+](C[C@@H](NC)c1ccc(OC)cc1)C1CC1 ZINC000043885380 175116820 /nfs/dbraw/zinc/11/68/20/175116820.db2.gz FKTLSDJMMMMIPL-MRXNPFEDSA-N 1 1 262.397 2.830 10 0 CFAEMO CCC[N@@H+](C[C@@H](NC)c1ccc(OC)cc1)C1CC1 ZINC000043885380 175116821 /nfs/dbraw/zinc/11/68/21/175116821.db2.gz FKTLSDJMMMMIPL-MRXNPFEDSA-N 1 1 262.397 2.830 10 0 CFAEMO CCC[N@@H+](CC)C[C@@H](NC)c1cc(OC)ccc1OC ZINC000043884367 175117161 /nfs/dbraw/zinc/11/71/61/175117161.db2.gz FSJSHPREGDVSNI-OAHLLOKOSA-N 1 1 280.412 2.696 10 0 CFAEMO CCCN(CC)C[C@@H]([NH2+]C)c1cc(OC)ccc1OC ZINC000043884367 175117162 /nfs/dbraw/zinc/11/71/62/175117162.db2.gz FSJSHPREGDVSNI-OAHLLOKOSA-N 1 1 280.412 2.696 10 0 CFAEMO CC[N@@H+](CC(C)C)C[C@H](NC)c1ccc2c(c1)OCCO2 ZINC000043887933 175117565 /nfs/dbraw/zinc/11/75/65/175117565.db2.gz QWIIBHZHETWNAK-HNNXBMFYSA-N 1 1 292.423 2.696 10 0 CFAEMO CCN(CC(C)C)C[C@H]([NH2+]C)c1ccc2c(c1)OCCO2 ZINC000043887933 175117567 /nfs/dbraw/zinc/11/75/67/175117567.db2.gz QWIIBHZHETWNAK-HNNXBMFYSA-N 1 1 292.423 2.696 10 0 CFAEMO CCN[C@@H]1c2ccccc2OC[C@H]1[N@H+](C)[C@@H](C)C1CC1 ZINC000043895031 175119480 /nfs/dbraw/zinc/11/94/80/175119480.db2.gz WGDRAAKMCAMJGL-XGWLTEMNSA-N 1 1 274.408 2.829 10 0 CFAEMO CCN[C@@H]1c2ccccc2OC[C@H]1[N@@H+](C)[C@@H](C)C1CC1 ZINC000043895031 175119482 /nfs/dbraw/zinc/11/94/82/175119482.db2.gz WGDRAAKMCAMJGL-XGWLTEMNSA-N 1 1 274.408 2.829 10 0 CFAEMO CC[C@H]([C@@H](NC)c1ccccc1)[N@H+](C)C1CCOCC1 ZINC000043898285 175121448 /nfs/dbraw/zinc/12/14/48/175121448.db2.gz SPOGMQOEECFSBY-SJORKVTESA-N 1 1 276.424 2.837 10 0 CFAEMO CC[C@H]([C@@H](NC)c1ccccc1)[N@@H+](C)C1CCOCC1 ZINC000043898285 175121449 /nfs/dbraw/zinc/12/14/49/175121449.db2.gz SPOGMQOEECFSBY-SJORKVTESA-N 1 1 276.424 2.837 10 0 CFAEMO CCOc1ccc([C@@H](C[N@@H+]2CCC[C@@H]2C)NC)cc1 ZINC000043902583 175122487 /nfs/dbraw/zinc/12/24/87/175122487.db2.gz VMCTYARBXPZIMS-XJKSGUPXSA-N 1 1 262.397 2.830 10 0 CFAEMO CCOc1ccc([C@@H](C[N@H+]2CCC[C@@H]2C)NC)cc1 ZINC000043902583 175122488 /nfs/dbraw/zinc/12/24/88/175122488.db2.gz VMCTYARBXPZIMS-XJKSGUPXSA-N 1 1 262.397 2.830 10 0 CFAEMO CCN[C@H](C[N@@H+]1CCC[C@@H]1C)c1cc(OC)ccc1OC ZINC000043903150 175122882 /nfs/dbraw/zinc/12/28/82/175122882.db2.gz QAJDDPRECFMBFC-XJKSGUPXSA-N 1 1 292.423 2.839 10 0 CFAEMO CCN[C@H](C[N@H+]1CCC[C@@H]1C)c1cc(OC)ccc1OC ZINC000043903150 175122883 /nfs/dbraw/zinc/12/28/83/175122883.db2.gz QAJDDPRECFMBFC-XJKSGUPXSA-N 1 1 292.423 2.839 10 0 CFAEMO CC[C@H]1CCC[N@@H+]1[C@@H]1COc2ccccc2[C@@H]1NC ZINC000043904324 175122897 /nfs/dbraw/zinc/12/28/97/175122897.db2.gz YBKFLHDZSUNLBM-BJJXKVORSA-N 1 1 260.381 2.583 10 0 CFAEMO CC[C@H]1CCC[N@H+]1[C@@H]1COc2ccccc2[C@@H]1NC ZINC000043904324 175122898 /nfs/dbraw/zinc/12/28/98/175122898.db2.gz YBKFLHDZSUNLBM-BJJXKVORSA-N 1 1 260.381 2.583 10 0 CFAEMO CN[C@H](C[N@H+](C)CCC(C)C)c1ccc(OC)cc1 ZINC000043914492 175124205 /nfs/dbraw/zinc/12/42/05/175124205.db2.gz YDGAAQWSVAXWPS-MRXNPFEDSA-N 1 1 264.413 2.934 10 0 CFAEMO CN[C@H](C[N@@H+](C)CCC(C)C)c1ccc(OC)cc1 ZINC000043914492 175124207 /nfs/dbraw/zinc/12/42/07/175124207.db2.gz YDGAAQWSVAXWPS-MRXNPFEDSA-N 1 1 264.413 2.934 10 0 CFAEMO CC[NH2+][C@H](C)c1ccc(OC)c(CN(C)[C@@H](C)COC)c1 ZINC000043969363 175130214 /nfs/dbraw/zinc/13/02/14/175130214.db2.gz WGOQLINOZFLGRR-UONOGXRCSA-N 1 1 294.439 2.832 10 0 CFAEMO CCC[NH2+][C@H]1CCCC[C@H]1N(CCOC)CC(C)C ZINC000043970516 175131417 /nfs/dbraw/zinc/13/14/17/175131417.db2.gz HANBAUOKUBUUNO-JKSUJKDBSA-N 1 1 270.461 2.902 10 0 CFAEMO CCC[NH2+][C@@H]1CCC[C@H]1N(CCOC)[C@@H](C)C1CC1 ZINC000043977843 175133207 /nfs/dbraw/zinc/13/32/07/175133207.db2.gz DHJHHMRYFIUIPU-NUEKZKHPSA-N 1 1 268.445 2.654 10 0 CFAEMO CCC[NH2+][C@@H](C)[C@H](C)N(CCOC)C(CC)CC ZINC000043977303 175133245 /nfs/dbraw/zinc/13/32/45/175133245.db2.gz JKSFEXOPONDUED-KBPBESRZSA-N 1 1 258.450 2.900 10 0 CFAEMO COc1cccc([C@@H](O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000044113957 175140992 /nfs/dbraw/zinc/14/09/92/175140992.db2.gz SSMLCKROFIHQSA-ZENOOKHLSA-N 1 1 263.381 2.707 10 0 CFAEMO CCCN1CC[NH+](C[C@@H](O)c2c(C)cc(C)cc2C)CC1 ZINC000044114150 175141180 /nfs/dbraw/zinc/14/11/80/175141180.db2.gz WBIIWRSCHQURRV-QGZVFWFLSA-N 1 1 290.451 2.673 10 0 CFAEMO COc1ccc([C@@H](O)C[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000044116320 175141403 /nfs/dbraw/zinc/14/14/03/175141403.db2.gz HVLBUWMIPIDUMU-JSGCOSHPSA-N 1 1 279.380 2.612 10 0 CFAEMO CC[C@@H]([C@H](O)c1ccccc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000044117109 175142130 /nfs/dbraw/zinc/14/21/30/175142130.db2.gz XQVBTWZZCWLELH-LQKXBSAESA-N 1 1 263.381 2.608 10 0 CFAEMO CC[N@@H+](CC(C)C)C[C@@H](O)c1cccc(OC)c1 ZINC000044127017 175144083 /nfs/dbraw/zinc/14/40/83/175144083.db2.gz HQUQUXOPXSHLCU-OAHLLOKOSA-N 1 1 251.370 2.707 10 0 CFAEMO C[C@H]([C@H](O)c1ccccc1)[N@@H+](C)CCc1ccccn1 ZINC000044125597 175144277 /nfs/dbraw/zinc/14/42/77/175144277.db2.gz KONIOHWEGWLPLS-PBHICJAKSA-N 1 1 270.376 2.678 10 0 CFAEMO CC[C@H]([C@@H](O)c1ccccc1)N1CC[NH+](C(C)C)CC1 ZINC000044132789 175144581 /nfs/dbraw/zinc/14/45/81/175144581.db2.gz BYYBGUFNNOLUQH-SJORKVTESA-N 1 1 276.424 2.525 10 0 CFAEMO CCC[N@@H+](CC)C[C@@H](O)c1cc(C)ccc1OC ZINC000044130547 175144786 /nfs/dbraw/zinc/14/47/86/175144786.db2.gz IHAKPZHUZKJILW-CQSZACIVSA-N 1 1 251.370 2.769 10 0 CFAEMO CCC(CC)[N@@H+](C)C[C@H](O)c1ccc2c(c1)OCO2 ZINC000044134276 175145329 /nfs/dbraw/zinc/14/53/29/175145329.db2.gz RBHAXCKAGRALQL-ZDUSSCGKSA-N 1 1 265.353 2.569 10 0 CFAEMO CCOc1ccccc1[C@H](O)C[N@@H+](C)[C@@H](C)C1CC1 ZINC000044133344 175145439 /nfs/dbraw/zinc/14/54/39/175145439.db2.gz OPODDMASDPWRPJ-SWLSCSKDSA-N 1 1 263.381 2.849 10 0 CFAEMO COc1ccc([C@H](O)[C@H](C)[N@@H+](C)Cc2ccccn2)cc1 ZINC000044133560 175145641 /nfs/dbraw/zinc/14/56/41/175145641.db2.gz JEKNXHLNHGXPEY-SUMWQHHRSA-N 1 1 286.375 2.644 10 0 CFAEMO CCc1ccc([C@H](O)[C@@H](C)[N@H+]2CCOC(C)(C)C2)cc1 ZINC000044159981 175147018 /nfs/dbraw/zinc/14/70/18/175147018.db2.gz RDRGXPAPHVZRGY-CZUORRHYSA-N 1 1 277.408 2.782 10 0 CFAEMO CCC[C@H](O)[C@@H](CC)N1CCC([NH+]2CCCCC2)CC1 ZINC000044162325 175147217 /nfs/dbraw/zinc/14/72/17/175147217.db2.gz CSSGIBPDVUSMMW-SJORKVTESA-N 1 1 282.472 2.876 10 0 CFAEMO Cc1ccc([C@H](O)[C@H](C)[N@@H+](C)C2CCOCC2)cc1 ZINC000044160210 175147292 /nfs/dbraw/zinc/14/72/92/175147292.db2.gz WUCQPVVHPUQKPN-XJKSGUPXSA-N 1 1 263.381 2.528 10 0 CFAEMO C[C@H]([C@H](O)c1ccccc1)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000044165336 175148044 /nfs/dbraw/zinc/14/80/44/175148044.db2.gz GRZLLYPNWLUWNL-KBMXLJTQSA-N 1 1 263.381 2.609 10 0 CFAEMO CC[N@@H+](C[C@H](O)C12CC3CC(CC(C3)C1)C2)[C@@H](C)COC ZINC000044165018 175148087 /nfs/dbraw/zinc/14/80/87/175148087.db2.gz TVFBOPYLGRMPBE-OKUQKKEKSA-N 1 1 295.467 2.921 10 0 CFAEMO CC(C)[C@@H]([C@@H](O)c1ccccc1)[N@@H+](C)C[C@@H]1CCCO1 ZINC000044170929 175148385 /nfs/dbraw/zinc/14/83/85/175148385.db2.gz RMRWUQDMALNIJW-ULQDDVLXSA-N 1 1 277.408 2.855 10 0 CFAEMO CCCc1ccc([C@@H](O)C[N@@H+](C)[C@@H](C)COC)cc1 ZINC000044167033 175148490 /nfs/dbraw/zinc/14/84/90/175148490.db2.gz OKXYYZXTOLRKBX-BBRMVZONSA-N 1 1 265.397 2.639 10 0 CFAEMO CCc1ccc([C@@H](O)[C@H](C)[N@@H+](C)C[C@@H]2CCCO2)cc1 ZINC000044171235 175148586 /nfs/dbraw/zinc/14/85/86/175148586.db2.gz BACXJVVYSXCZKE-JQFCIGGWSA-N 1 1 277.408 2.782 10 0 CFAEMO Cc1ccc([C@@H](O)[C@@H](C)[N@@H+](C)C[C@@H]2CCCO2)cc1 ZINC000044171139 175148592 /nfs/dbraw/zinc/14/85/92/175148592.db2.gz PZSLOXCFAHIYRY-KBMXLJTQSA-N 1 1 263.381 2.528 10 0 CFAEMO CCCC[N@@H+](C1CC1)[C@H]1COc2ccccc2[C@@H]1O ZINC000044167991 175148758 /nfs/dbraw/zinc/14/87/58/175148758.db2.gz MZNALTRIUNNSBM-HOCLYGCPSA-N 1 1 261.365 2.746 10 0 CFAEMO COCC[N@@H+](CC(C)C)C[C@@H](O)c1ccccc1C ZINC000044166002 175148782 /nfs/dbraw/zinc/14/87/82/175148782.db2.gz CHOIBCJMAHSPHR-MRXNPFEDSA-N 1 1 265.397 2.633 10 0 CFAEMO CC[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCCCCC[C@@H]1O ZINC000044166265 175148823 /nfs/dbraw/zinc/14/88/23/175148823.db2.gz ROZDBSSCFDDGLC-ZNMIVQPWSA-N 1 1 255.402 2.571 10 0 CFAEMO CCOc1ccc([C@@H](C)O)cc1C[N@@H+](CCOC)C1CC1 ZINC000044172244 175149012 /nfs/dbraw/zinc/14/90/12/175149012.db2.gz FJKWXRBFCSLSAU-CYBMUJFWSA-N 1 1 293.407 2.749 10 0 CFAEMO CCOc1ccccc1[C@@H](O)C[N@@H+]1C[C@@H](C)OC[C@@H]1CC ZINC000044175940 175149855 /nfs/dbraw/zinc/14/98/55/175149855.db2.gz PNHZTHAIDYMPTM-YCPHGPKFSA-N 1 1 293.407 2.618 10 0 CFAEMO CCOc1ccccc1[C@@H](O)C[N@H+]1C[C@@H](C)OC[C@@H]1CC ZINC000044175940 175149856 /nfs/dbraw/zinc/14/98/56/175149856.db2.gz PNHZTHAIDYMPTM-YCPHGPKFSA-N 1 1 293.407 2.618 10 0 CFAEMO Cc1cc(C)c([C@H](O)C[N@H+](C)Cc2cnn(C)c2)c(C)c1 ZINC000044175226 175149936 /nfs/dbraw/zinc/14/99/36/175149936.db2.gz KKIFNAUQQRAXHD-MRXNPFEDSA-N 1 1 287.407 2.511 10 0 CFAEMO CCCO[C@H]1CCC[N@H+]([C@@H]2CCc3ccccc3[C@@H]2O)C1 ZINC000044179598 175150971 /nfs/dbraw/zinc/15/09/71/175150971.db2.gz DCOVUNFGOMNDOI-JQHSSLGASA-N 1 1 289.419 2.926 10 0 CFAEMO CC(C)c1[nH+]ccn1C[C@@H](O)c1ccc2c(c1)OCCO2 ZINC000044185323 175151861 /nfs/dbraw/zinc/15/18/61/175151861.db2.gz AMEVLZJSZVNDTG-CYBMUJFWSA-N 1 1 288.347 2.511 10 0 CFAEMO CC[NH2+][C@@H](c1nccn1CC)c1cc(OC)ccc1OC ZINC000044482437 175179919 /nfs/dbraw/zinc/17/99/19/175179919.db2.gz QCIZPNRJQUKEGA-OAHLLOKOSA-N 1 1 289.379 2.619 10 0 CFAEMO CC[NH2+][C@H](c1nccn1CC)c1cc(OC)ccc1OC ZINC000044482436 175180121 /nfs/dbraw/zinc/18/01/21/175180121.db2.gz QCIZPNRJQUKEGA-HNNXBMFYSA-N 1 1 289.379 2.619 10 0 CFAEMO C[N@H+]1CCC[C@@H](CN2C(=S)N=NC2c2cccs2)C1 ZINC000044538118 175199523 /nfs/dbraw/zinc/19/95/23/175199523.db2.gz SKBMSOFPHBLYJP-SNVBAGLBSA-N 1 1 294.449 2.637 10 0 CFAEMO Cc1nc([C@H](C)NC[C@@H]2CCCC[N@H+]2C)cs1 ZINC000044561282 175204864 /nfs/dbraw/zinc/20/48/64/175204864.db2.gz HOANMEDYETUPPE-JQWIXIFHSA-N 1 1 253.415 2.586 10 0 CFAEMO Cc1nc([C@H](C)[NH2+]C[C@@H]2CCCCN2C)cs1 ZINC000044561282 175204865 /nfs/dbraw/zinc/20/48/65/175204865.db2.gz HOANMEDYETUPPE-JQWIXIFHSA-N 1 1 253.415 2.586 10 0 CFAEMO COc1ccc([C@H](C)NC[C@@H]2CCCC[N@@H+]2C)c(F)c1 ZINC000044561167 175205306 /nfs/dbraw/zinc/20/53/06/175205306.db2.gz ATKKILDBXHZAQR-STQMWFEESA-N 1 1 280.387 2.969 10 0 CFAEMO COc1ccc([C@H](C)NC[C@@H]2CCCC[N@H+]2C)c(F)c1 ZINC000044561167 175205307 /nfs/dbraw/zinc/20/53/07/175205307.db2.gz ATKKILDBXHZAQR-STQMWFEESA-N 1 1 280.387 2.969 10 0 CFAEMO Nc1cc(Cl)ccc1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000044688953 175232612 /nfs/dbraw/zinc/23/26/12/175232612.db2.gz PQCAYHWHNCVJFN-JTQLQIEISA-N 1 1 251.761 2.571 10 0 CFAEMO Cc1cc(CNC2[C@@H]3CCC[C@H]2C[N@H+](C(C)C)C3)no1 ZINC000044693329 175234329 /nfs/dbraw/zinc/23/43/29/175234329.db2.gz RKLYLFQWWCNOBY-MZBDJJRSSA-N 1 1 277.412 2.582 10 0 CFAEMO S=C1N=NC(c2cccs2)N1[C@H]1CC[N@H+](C2CC2)C1 ZINC000044726372 175238862 /nfs/dbraw/zinc/23/88/62/175238862.db2.gz QSUPXAOMHOIARN-JTQLQIEISA-N 1 1 292.433 2.705 10 0 CFAEMO S=C1N=NC(c2ccccc2)N1[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044726369 175238930 /nfs/dbraw/zinc/23/89/30/175238930.db2.gz FTCYNLSWQJZHBU-CYBMUJFWSA-N 1 1 286.404 2.643 10 0 CFAEMO CCC1CCC([N@@H+](C)[C@](C)(CN)CCOC)CC1 ZINC000045043551 175295581 /nfs/dbraw/zinc/29/55/81/175295581.db2.gz XKJKTSNPDRXJPX-NRXISQOPSA-N 1 1 256.434 2.641 10 0 CFAEMO C[C@H](C(=O)Nc1ccc(F)c(N)c1)[N@@H+](C)CC(C)(C)C ZINC000045064498 175298841 /nfs/dbraw/zinc/29/88/41/175298841.db2.gz UUPWKYVQMCTTIH-SNVBAGLBSA-N 1 1 281.375 2.713 10 0 CFAEMO Cc1cc(N)ccc1NC(=O)CC[N@H+](C)CC(C)(C)C ZINC000045064745 175299560 /nfs/dbraw/zinc/29/95/60/175299560.db2.gz MVJKIQRQZJGYAF-UHFFFAOYSA-N 1 1 277.412 2.884 10 0 CFAEMO Nc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1C1CCCC1 ZINC000045066512 175299770 /nfs/dbraw/zinc/29/97/70/175299770.db2.gz PQMYFLRFBMKLGN-INIZCTEOSA-N 1 1 287.407 2.862 10 0 CFAEMO CN[C@@H](C[N@H+](C)CC(C)(C)C)c1cc(OC)ccc1OC ZINC000045072412 175301992 /nfs/dbraw/zinc/30/19/92/175301992.db2.gz KISKYVUZTRWCQF-HNNXBMFYSA-N 1 1 294.439 2.942 10 0 CFAEMO CN[C@@H](C[N@@H+](C)CC(C)(C)C)c1cc(OC)ccc1OC ZINC000045072412 175301994 /nfs/dbraw/zinc/30/19/94/175301994.db2.gz KISKYVUZTRWCQF-HNNXBMFYSA-N 1 1 294.439 2.942 10 0 CFAEMO CCCN[C@@](C)(CC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(=O)OCC ZINC000045224684 175332753 /nfs/dbraw/zinc/33/27/53/175332753.db2.gz YJFYMMWEAMHEBO-UXLLHSPISA-N 1 1 298.471 2.676 10 0 CFAEMO CCCN[C@](C)(CC[N@@H+](C)C1CCCCC1)C(=O)OC ZINC000045231299 175334712 /nfs/dbraw/zinc/33/47/12/175334712.db2.gz FVESFGSUNHDLHE-MRXNPFEDSA-N 1 1 284.444 2.572 10 0 CFAEMO CCCN[C@@](C)(CC[N@@H+](C)C1CCCC1)C(=O)OCC ZINC000045266271 175338770 /nfs/dbraw/zinc/33/87/70/175338770.db2.gz JHWNCRUOPGGTRL-INIZCTEOSA-N 1 1 284.444 2.572 10 0 CFAEMO CCCN[C@@](C)(CC[N@H+]1CCCC[C@@H]1CC)C(=O)OCC ZINC000045265986 175339307 /nfs/dbraw/zinc/33/93/07/175339307.db2.gz NLINCAYISZZZFP-RDJZCZTQSA-N 1 1 298.471 2.962 10 0 CFAEMO CCOC(=O)[C@](N)(C[N@@H+](C)C(CC)CC)c1ccccc1 ZINC000045269577 175341598 /nfs/dbraw/zinc/34/15/98/175341598.db2.gz ZAIHNPBJWYZZFP-KRWDZBQOSA-N 1 1 292.423 2.524 10 0 CFAEMO CCCC[N@@H+](CC[C@@](C)(NCCC)C(=O)OC)C1CC1 ZINC000045276361 175346915 /nfs/dbraw/zinc/34/69/15/175346915.db2.gz IYYMOHUKRGZUEI-MRXNPFEDSA-N 1 1 284.444 2.572 10 0 CFAEMO CCOC(=O)[C@@](C)(C[N@@H+](C)C1CCC(C)CC1)NC1CC1 ZINC000045280565 175350012 /nfs/dbraw/zinc/35/00/12/175350012.db2.gz ZXZDFFBEUUDZTP-PUJMQQBBSA-N 1 1 296.455 2.571 10 0 CFAEMO CC(C)[NH2+][C@](C)(CC[N@@H+](C)C1CCC(C)CC1)C(=O)[O-] ZINC000045280585 175350371 /nfs/dbraw/zinc/35/03/71/175350371.db2.gz WHQCMMFIODUGCY-ZBCRRDGASA-N 1 1 284.444 2.728 10 0 CFAEMO CCCC[N@@H+](C[C@](C)(NC1CC1)C(=O)OC)[C@@H](C)CC ZINC000045282579 175352848 /nfs/dbraw/zinc/35/28/48/175352848.db2.gz AFGOPGVSARBIQV-BBRMVZONSA-N 1 1 284.444 2.571 10 0 CFAEMO CCCC[N@@H+](C)CCCC[C@](C)(NC1CC1)C(=O)OCC ZINC000045368287 175363160 /nfs/dbraw/zinc/36/31/60/175363160.db2.gz MSHWHQHLFICCHN-KRWDZBQOSA-N 1 1 298.471 2.962 10 0 CFAEMO CCCC[N@@H+](CC)CCC[C@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045370608 175364390 /nfs/dbraw/zinc/36/43/90/175364390.db2.gz STDGQLSXODFMHO-HNNXBMFYSA-N 1 1 272.433 2.730 10 0 CFAEMO CCOC(=O)[C@](C)(CCC[N@H+]1CCCC[C@@H]1C)NC1CC1 ZINC000045376180 175366344 /nfs/dbraw/zinc/36/63/44/175366344.db2.gz CSBWUJNNMHBKMI-YOEHRIQHSA-N 1 1 296.455 2.715 10 0 CFAEMO CCOC(=O)[C@](C)(CCC[N@@H+](C)C1CCCCC1)NC ZINC000045379137 175368365 /nfs/dbraw/zinc/36/83/65/175368365.db2.gz PVSLEWKZRDQEKS-INIZCTEOSA-N 1 1 284.444 2.572 10 0 CFAEMO CC(C)[NH2+][C@](C)(CCC[N@@H+](C)C1CCCCC1)C(=O)[O-] ZINC000045379115 175368482 /nfs/dbraw/zinc/36/84/82/175368482.db2.gz YPPOBYXUVDQCBT-MRXNPFEDSA-N 1 1 284.444 2.872 10 0 CFAEMO CCCN[C@@](C)(CCCC[N@@H+](C)CC(C)C)C(=O)OC ZINC000045380877 175369634 /nfs/dbraw/zinc/36/96/34/175369634.db2.gz RLTZKVJHMSSYNZ-INIZCTEOSA-N 1 1 286.460 2.676 10 0 CFAEMO COC(=O)[C@](C)(CCCC[N@@H+](C)CC(C)C)NC(C)C ZINC000045380894 175370497 /nfs/dbraw/zinc/37/04/97/175370497.db2.gz GEQILWKSCMFWBR-INIZCTEOSA-N 1 1 286.460 2.674 10 0 CFAEMO CCC[N@@H+](C)CCCC[C@](C)(NC1CC1)C(=O)OCC ZINC000045382249 175370778 /nfs/dbraw/zinc/37/07/78/175370778.db2.gz PUUGVHKDZREOPB-INIZCTEOSA-N 1 1 284.444 2.572 10 0 CFAEMO CC[N@@H+](CCCC[C@](C)([NH2+]C(C)C)C(=O)[O-])C(C)C ZINC000045383607 175370873 /nfs/dbraw/zinc/37/08/73/175370873.db2.gz AFHCFNPOXCOWNC-HNNXBMFYSA-N 1 1 272.433 2.728 10 0 CFAEMO CCOC(=O)[C@](C)(CCC[N@H+]1CCCC[C@@H]1CC)NC ZINC000045384280 175371106 /nfs/dbraw/zinc/37/11/06/175371106.db2.gz REZVGGKYQAUXIA-HOCLYGCPSA-N 1 1 284.444 2.572 10 0 CFAEMO CCOC(=O)[C@](C)(CCC[N@@H+](CC)C(C)C)NC(C)C ZINC000045383882 175371387 /nfs/dbraw/zinc/37/13/87/175371387.db2.gz NQVATCOTODMAPR-INIZCTEOSA-N 1 1 286.460 2.817 10 0 CFAEMO CCOC(=O)[C@](C)(CCC[N@@H+](CC)[C@@H](C)CC)NC1CC1 ZINC000045385568 175371725 /nfs/dbraw/zinc/37/17/25/175371725.db2.gz QQBLYOVBRRWSOJ-YOEHRIQHSA-N 1 1 298.471 2.961 10 0 CFAEMO CCC[N@@H+](CCCC[C@@](C)(NCC)C(=O)OC)C(C)C ZINC000045385859 175371822 /nfs/dbraw/zinc/37/18/22/175371822.db2.gz PNMVVZHGIQZEJH-MRXNPFEDSA-N 1 1 286.460 2.818 10 0 CFAEMO CCCN[C@@](C)(CCC[N@@H+](C)C1CCCC1)C(=O)OC ZINC000045384885 175371842 /nfs/dbraw/zinc/37/18/42/175371842.db2.gz LPVUHKWKDSWYDA-INIZCTEOSA-N 1 1 284.444 2.572 10 0 CFAEMO CCC[N@@H+](CCCC[C@](C)(NCC)C(=O)OCC)C1CC1 ZINC000045387447 175372590 /nfs/dbraw/zinc/37/25/90/175372590.db2.gz WWEVSKOGVVERRH-KRWDZBQOSA-N 1 1 298.471 2.962 10 0 CFAEMO CCOC(=O)[C@](C)(CCC[N@@H+](CC)C1CCCC1)NC ZINC000045390600 175374735 /nfs/dbraw/zinc/37/47/35/175374735.db2.gz XTEHJRNWHNUCMV-INIZCTEOSA-N 1 1 284.444 2.572 10 0 CFAEMO CC[N@@H+](CCC[C@@](C)([NH2+]C1CC1)C(=O)[O-])C1CCCC1 ZINC000045390566 175374818 /nfs/dbraw/zinc/37/48/18/175374818.db2.gz PMAWYPXBLYTUNA-MRXNPFEDSA-N 1 1 282.428 2.626 10 0 CFAEMO COC(=O)[C@@](C)(CCCC[N@@H+](C)[C@@H](C)C1CC1)NC(C)C ZINC000045392902 175375901 /nfs/dbraw/zinc/37/59/01/175375901.db2.gz TZNKZSYYDNOCPP-WMLDXEAASA-N 1 1 298.471 2.817 10 0 CFAEMO COC(=O)[C@@](C)(N)CCCC[N@H+](C)C1CCCCCC1 ZINC000045419129 175377258 /nfs/dbraw/zinc/37/72/58/175377258.db2.gz LPIGTNWVZGKROD-INIZCTEOSA-N 1 1 284.444 2.702 10 0 CFAEMO COC(=O)[C@@](C)(N)CCCC[N@@H+](C)C1CCCCCC1 ZINC000045419129 175377261 /nfs/dbraw/zinc/37/72/61/175377261.db2.gz LPIGTNWVZGKROD-INIZCTEOSA-N 1 1 284.444 2.702 10 0 CFAEMO CCOC(=O)[C@](C)(N)CCC[NH+](CC(C)C)CC(C)C ZINC000045420411 175378725 /nfs/dbraw/zinc/37/87/25/175378725.db2.gz YELTWMIOGNJULX-MRXNPFEDSA-N 1 1 286.460 2.661 10 0 CFAEMO CCCC[N@@H+](CCC[C@](C)([NH2+]CCC)C(=O)[O-])C1CC1 ZINC000045421755 175380439 /nfs/dbraw/zinc/38/04/39/175380439.db2.gz BDISPADQCIHEBR-INIZCTEOSA-N 1 1 284.444 2.874 10 0 CFAEMO C[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000248484168 287307133 /nfs/dbraw/zinc/30/71/33/287307133.db2.gz JVVGEUJHNZTRMM-QLFBSQMISA-N 1 1 262.401 2.741 10 0 CFAEMO Cc1nc(C[N@@H+]2CCC[C@H](c3cnccn3)C2)cs1 ZINC000072386122 176390864 /nfs/dbraw/zinc/39/08/64/176390864.db2.gz XVYKRFHLQCGIDR-LBPRGKRZSA-N 1 1 274.393 2.621 10 0 CFAEMO Cc1nc(C[N@H+]2CCC[C@H](c3cnccn3)C2)cs1 ZINC000072386122 176390866 /nfs/dbraw/zinc/39/08/66/176390866.db2.gz XVYKRFHLQCGIDR-LBPRGKRZSA-N 1 1 274.393 2.621 10 0 CFAEMO C[C@@H]1COC[C@H](C)[N@@H+]1CCCOCCc1ccccc1 ZINC000077657685 177291600 /nfs/dbraw/zinc/29/16/00/177291600.db2.gz HBDYSYDQYYQULP-IYBDPMFKSA-N 1 1 277.408 2.745 10 0 CFAEMO COc1c(C[NH+]2CCC(C(F)(F)F)CC2)c(C)nn1C ZINC000179964466 260083959 /nfs/dbraw/zinc/08/39/59/260083959.db2.gz OGCOQZMGJDGRKU-UHFFFAOYSA-N 1 1 291.317 2.511 10 0 CFAEMO CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)CN1CCCCC1 ZINC000312634463 260186055 /nfs/dbraw/zinc/18/60/55/260186055.db2.gz HUNRGEZKFISLNZ-IXDOHACOSA-N 1 1 282.472 2.638 10 0 CFAEMO CC[N@H+]1CCC[C@@H](NC(=O)Nc2cccc3cccnc32)C1 ZINC000194324597 270244383 /nfs/dbraw/zinc/24/43/83/270244383.db2.gz QQHBEGWIACTISO-CQSZACIVSA-N 1 1 298.390 2.841 10 0 CFAEMO Cc1occc1C[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000321652914 270295585 /nfs/dbraw/zinc/29/55/85/270295585.db2.gz VVMRAUFNJZVRBQ-MRXNPFEDSA-N 1 1 258.365 2.981 10 0 CFAEMO O[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(Cl)s3)C[C@H]2C1 ZINC000398676050 270323101 /nfs/dbraw/zinc/32/31/01/270323101.db2.gz HEXYEEQBYJDBEO-GMTAPVOTSA-N 1 1 271.813 2.994 10 0 CFAEMO Cc1ccc(OCCC[N@@H+]2C[C@H](O)CC[C@@H]2C)cc1C ZINC000399464305 270328356 /nfs/dbraw/zinc/32/83/56/270328356.db2.gz KOGAKQCEYIHBHN-JKSUJKDBSA-N 1 1 277.408 2.918 10 0 CFAEMO C[C@@H](CCc1ccccc1)[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000171511096 274211188 /nfs/dbraw/zinc/21/11/88/274211188.db2.gz FVBFAHLITOHJJI-WMZOPIPTSA-N 1 1 299.418 2.605 10 0 CFAEMO CC[N@@H+](C)[C@H]1CCN(c2nc(C(F)(F)F)cs2)C1 ZINC000302792069 276078800 /nfs/dbraw/zinc/07/88/00/276078800.db2.gz YWUBZYKRAGPVHG-QMMMGPOBSA-N 1 1 279.331 2.692 10 0 CFAEMO 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Cc1cc[nH+]c(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1 ZINC000095090848 281457062 /nfs/dbraw/zinc/45/70/62/281457062.db2.gz WKJRFOAWVQSPOW-ZDUSSCGKSA-N 1 1 291.395 2.836 10 0 CFAEMO Cc1cc(C)nc(NC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000152817197 289855458 /nfs/dbraw/zinc/85/54/58/289855458.db2.gz HOUXKIAYEWFAHS-MRXNPFEDSA-N 1 1 297.402 2.810 10 0 CFAEMO Cc1cc(C)nc(NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000152817302 289855774 /nfs/dbraw/zinc/85/57/74/289855774.db2.gz HOUXKIAYEWFAHS-INIZCTEOSA-N 1 1 297.402 2.810 10 0 CFAEMO C[C@H](N[C@@H]1C[C@H]([NH3+])c2ccccc21)[C@H]1CCCCO1 ZINC000262023947 290031568 /nfs/dbraw/zinc/03/15/68/290031568.db2.gz YWTFGHZLDFZACL-DANNLKNASA-N 1 1 260.381 2.678 10 0 CFAEMO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H]1CCCOc2ccccc21 ZINC000181252191 293526727 /nfs/dbraw/zinc/52/67/27/293526727.db2.gz SAEMTYKBYHOKQM-HUUCEWRRSA-N 1 1 298.390 2.925 10 0 CFAEMO COc1ccc(C)cc1[C@H](C)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000251188303 295109688 /nfs/dbraw/zinc/10/96/88/295109688.db2.gz ZLBZHHJFQBMECB-KCQAQPDRSA-N 1 1 262.397 2.782 10 0 CFAEMO COc1ccc([C@H](C)N[C@@H](C)C[C@@H]2CCC[NH2+]2)cc1OC ZINC000093465379 295237390 /nfs/dbraw/zinc/23/73/90/295237390.db2.gz USRSORZRKNDPPM-YDHLFZDLSA-N 1 1 292.423 2.885 10 0 CFAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N(C)c1ccc(F)cc1 ZINC000176680011 297093374 /nfs/dbraw/zinc/09/33/74/297093374.db2.gz GGKCJQBLXWILSA-IUODEOHRSA-N 1 1 291.370 2.550 10 0 CFAEMO OCC[C@@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000219787007 527565202 /nfs/dbraw/zinc/56/52/02/527565202.db2.gz DNLUILODQYCEHQ-JTQLQIEISA-N 1 1 257.736 2.683 10 0 CFAEMO CC(C)c1nnc(C[N@@H+]2CCC[C@@H](C)CC2)n1C ZINC000195116965 324102532 /nfs/dbraw/zinc/10/25/32/324102532.db2.gz MFVMAQKEQOEDEK-GFCCVEGCSA-N 1 1 250.390 2.561 10 0 CFAEMO CC(C)c1nnc(C[N@H+]2CCC[C@@H](C)CC2)n1C ZINC000195116965 324102536 /nfs/dbraw/zinc/10/25/36/324102536.db2.gz MFVMAQKEQOEDEK-GFCCVEGCSA-N 1 1 250.390 2.561 10 0 CFAEMO CCN(C(=O)C[N@H+]1CCS[C@H](C)C1)C1CCCCC1 ZINC000171697719 519913474 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CC[N@@H+]1CCC[C@H](NCc2cc(C)ccc2OC)C1 ZINC000040502669 174299189 /nfs/dbraw/zinc/29/91/89/174299189.db2.gz CTRPFGIGQDKZCJ-HNNXBMFYSA-N 1 1 262.397 2.578 10 0 CFAEMO CC[N@H+]1CCC[C@H](NCc2cc(C)ccc2OC)C1 ZINC000040502669 174299190 /nfs/dbraw/zinc/29/91/90/174299190.db2.gz CTRPFGIGQDKZCJ-HNNXBMFYSA-N 1 1 262.397 2.578 10 0 CFAEMO CC[N@@H+]1CCC[C@@H](N[C@@H](C)c2nc3ccccc3n2C)C1 ZINC000040502334 174299227 /nfs/dbraw/zinc/29/92/27/174299227.db2.gz GQRALZNUYPDVJQ-UONOGXRCSA-N 1 1 286.423 2.708 10 0 CFAEMO CC[N@H+]1CCC[C@@H](N[C@@H](C)c2nc3ccccc3n2C)C1 ZINC000040502334 174299229 /nfs/dbraw/zinc/29/92/29/174299229.db2.gz GQRALZNUYPDVJQ-UONOGXRCSA-N 1 1 286.423 2.708 10 0 CFAEMO CC[N@@H+]1CCC[C@@H](NCc2cc(Cl)ccc2OC)C1 ZINC000040503016 174300153 /nfs/dbraw/zinc/30/01/53/174300153.db2.gz NUTPRWIKBJXRAS-CQSZACIVSA-N 1 1 282.815 2.923 10 0 CFAEMO CC[N@H+]1CCC[C@@H](NCc2cc(Cl)ccc2OC)C1 ZINC000040503016 174300154 /nfs/dbraw/zinc/30/01/54/174300154.db2.gz NUTPRWIKBJXRAS-CQSZACIVSA-N 1 1 282.815 2.923 10 0 CFAEMO Cc1ccc(CN(C)c2[nH+]c(C)cc(C)c2C(N)=S)o1 ZINC000040510294 174303946 /nfs/dbraw/zinc/30/39/46/174303946.db2.gz MJKSOUYMFVGBFQ-UHFFFAOYSA-N 1 1 289.404 2.870 10 0 CFAEMO CC(C)Oc1cccc(CNC[C@@H]2CC[N@H+](C)C2)c1 ZINC000040640575 174364521 /nfs/dbraw/zinc/36/45/21/174364521.db2.gz YROYAOQCOKDRGC-HNNXBMFYSA-N 1 1 262.397 2.515 10 0 CFAEMO CC(C)Oc1cccc(CNC[C@@H]2CC[N@@H+](C)C2)c1 ZINC000040640575 174364522 /nfs/dbraw/zinc/36/45/22/174364522.db2.gz YROYAOQCOKDRGC-HNNXBMFYSA-N 1 1 262.397 2.515 10 0 CFAEMO C[C@@H]([NH2+]C(C)(C)C(N)=O)c1ccc(Cl)cc1Cl ZINC000040674132 174372796 /nfs/dbraw/zinc/37/27/96/174372796.db2.gz OQIACDFJSXNFFK-SSDOTTSWSA-N 1 1 275.179 2.908 10 0 CFAEMO CCOC1CCN(CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000040690173 174376928 /nfs/dbraw/zinc/37/69/28/174376928.db2.gz VPAASLNJUZWUPM-MRXNPFEDSA-N 1 1 262.397 2.577 10 0 CFAEMO CCOC1CC[NH+](CC[C@@H](N)c2ccccc2)CC1 ZINC000040690173 174376929 /nfs/dbraw/zinc/37/69/29/174376929.db2.gz VPAASLNJUZWUPM-MRXNPFEDSA-N 1 1 262.397 2.577 10 0 CFAEMO C[C@H](CCc1ccc(O)cc1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749148 174394199 /nfs/dbraw/zinc/39/41/99/174394199.db2.gz WIYFDZSSRPRVRS-OHRKKDJYSA-N 1 1 274.408 2.667 10 0 CFAEMO Cc1ccc(C)c(OCCN2[C@@H]3CC[C@H]2CC([NH3+])C3)c1 ZINC000040750141 174394864 /nfs/dbraw/zinc/39/48/64/174394864.db2.gz JUMDOYHVPFGOFU-MQVJKMGUSA-N 1 1 274.408 2.636 10 0 CFAEMO COc1cc(C[NH2+][C@@H](C)c2ccc(C)c(F)c2)on1 ZINC000660202623 414680411 /nfs/dbraw/zinc/68/04/11/414680411.db2.gz FFKMYPQNTLJYJV-JTQLQIEISA-N 1 1 264.300 2.982 10 0 CFAEMO CC[NH2+][C@H](c1nccn1CC)c1ccccc1OC ZINC000041112846 174483097 /nfs/dbraw/zinc/48/30/97/174483097.db2.gz KYAGFXHKMLACTL-AWEZNQCLSA-N 1 1 259.353 2.611 10 0 CFAEMO COc1cccc([C@H]([NH3+])c2nc(C)cs2)c1OC ZINC000041182061 174506154 /nfs/dbraw/zinc/50/61/54/174506154.db2.gz VIOFOAOZCIQYKO-NSHDSACASA-N 1 1 264.350 2.517 10 0 CFAEMO C[NH+](C)CCCCn1c(N)nc2cccc(Cl)c21 ZINC000041678338 174603673 /nfs/dbraw/zinc/60/36/73/174603673.db2.gz LAYNFUXUBZCNKH-UHFFFAOYSA-N 1 1 266.776 2.614 10 0 CFAEMO CCOC1CC[NH+]([C@H](c2ccccc2)[C@H](C)N)CC1 ZINC000042901784 174906384 /nfs/dbraw/zinc/90/63/84/174906384.db2.gz DQAAIRXTKHJISX-BBRMVZONSA-N 1 1 262.397 2.576 10 0 CFAEMO CCO[C@@H]1CCC[N@@H+]([C@@H](CN)c2cccc(C)c2C)C1 ZINC000043314998 175004825 /nfs/dbraw/zinc/00/48/25/175004825.db2.gz NVNSDHRUTZDCPT-WBVHZDCISA-N 1 1 276.424 2.804 10 0 CFAEMO CCO[C@@H]1CCC[N@H+]([C@@H](CN)c2cccc(C)c2C)C1 ZINC000043314998 175004827 /nfs/dbraw/zinc/00/48/27/175004827.db2.gz NVNSDHRUTZDCPT-WBVHZDCISA-N 1 1 276.424 2.804 10 0 CFAEMO Cc1cccc([C@H]([NH2+]Cc2cccs2)C(N)=O)c1C ZINC000043315322 175004944 /nfs/dbraw/zinc/00/49/44/175004944.db2.gz CWIBNVLMZWFEPZ-AWEZNQCLSA-N 1 1 274.389 2.681 10 0 CFAEMO C[C@@H](Cc1cccc(Cl)c1)N[C@H]1CCC[NH2+]C1 ZINC000043326317 175007741 /nfs/dbraw/zinc/00/77/41/175007741.db2.gz IQCOCKJJEIALAR-FZMZJTMJSA-N 1 1 252.789 2.613 10 0 CFAEMO CC[C@H](N)[C@@H](c1ccco1)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043336233 175012172 /nfs/dbraw/zinc/01/21/72/175012172.db2.gz SAOBDZVWPGKSBE-NOLJZWGESA-N 1 1 280.412 2.805 10 0 CFAEMO CC[C@H](N)[C@@H](c1ccco1)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043336233 175012173 /nfs/dbraw/zinc/01/21/73/175012173.db2.gz SAOBDZVWPGKSBE-NOLJZWGESA-N 1 1 280.412 2.805 10 0 CFAEMO COc1ccc2nc(S[C@H](C[NH3+])c3ccco3)[nH]c2c1 ZINC000043338216 175012548 /nfs/dbraw/zinc/01/25/48/175012548.db2.gz YLBYZVOZQZHHGN-CYBMUJFWSA-N 1 1 289.360 2.957 10 0 CFAEMO CC[C@H](N)[C@@H](c1ccccn1)[N@H+](CC(C)C)C1CC1 ZINC000043340920 175014386 /nfs/dbraw/zinc/01/43/86/175014386.db2.gz ZMPKDWAPGFXUNC-HOCLYGCPSA-N 1 1 261.413 2.980 10 0 CFAEMO CC[C@H](N)[C@@H](c1ccccn1)[N@@H+](CC(C)C)C1CC1 ZINC000043340920 175014387 /nfs/dbraw/zinc/01/43/87/175014387.db2.gz ZMPKDWAPGFXUNC-HOCLYGCPSA-N 1 1 261.413 2.980 10 0 CFAEMO CC[C@H](N)[C@H](c1cccnc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000043345756 175016773 /nfs/dbraw/zinc/01/67/73/175016773.db2.gz CFQMXLDAZKEVSQ-XRGAULLZSA-N 1 1 261.413 2.838 10 0 CFAEMO CC[C@H](N)[C@H](c1cccnc1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000043345756 175016775 /nfs/dbraw/zinc/01/67/75/175016775.db2.gz CFQMXLDAZKEVSQ-XRGAULLZSA-N 1 1 261.413 2.838 10 0 CFAEMO CC[C@@H](N)[C@@H](c1cccnc1)[N@H+](CC(C)C)C1CC1 ZINC000043348385 175018383 /nfs/dbraw/zinc/01/83/83/175018383.db2.gz UXLVTCDPYXHEIK-HZPDHXFCSA-N 1 1 261.413 2.980 10 0 CFAEMO CC[C@@H](N)[C@@H](c1cccnc1)[N@@H+](CC(C)C)C1CC1 ZINC000043348385 175018385 /nfs/dbraw/zinc/01/83/85/175018385.db2.gz UXLVTCDPYXHEIK-HZPDHXFCSA-N 1 1 261.413 2.980 10 0 CFAEMO Cc1ccc([C@H]([C@H](C)N)[N@@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000043363827 175024588 /nfs/dbraw/zinc/02/45/88/175024588.db2.gz PGGFLDIYLQMBTG-WJNVRWDZSA-N 1 1 250.386 2.954 10 0 CFAEMO Cc1ccc([C@H]([C@H](C)[NH3+])N2C[C@H](C)C[C@H](C)C2)o1 ZINC000043363827 175024590 /nfs/dbraw/zinc/02/45/90/175024590.db2.gz PGGFLDIYLQMBTG-WJNVRWDZSA-N 1 1 250.386 2.954 10 0 CFAEMO CC[C@H](N)[C@H](c1ccc(C)o1)[N@H+](CCO)C1CCCCC1 ZINC000043365196 175026579 /nfs/dbraw/zinc/02/65/79/175026579.db2.gz WNZGOIUKAVKUSL-DOTOQJQBSA-N 1 1 294.439 2.993 10 0 CFAEMO CC[C@H](N)[C@H](c1ccc(C)o1)[N@@H+](CCO)C1CCCCC1 ZINC000043365196 175026582 /nfs/dbraw/zinc/02/65/82/175026582.db2.gz WNZGOIUKAVKUSL-DOTOQJQBSA-N 1 1 294.439 2.993 10 0 CFAEMO Cc1cc(C)cc([C@H]([NH2+]Cc2ccccc2)C(N)=O)c1 ZINC000043394668 175034944 /nfs/dbraw/zinc/03/49/44/175034944.db2.gz VYWJZBYJHLXLAY-INIZCTEOSA-N 1 1 268.360 2.620 10 0 CFAEMO Cc1ccc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)cc1N ZINC000043428110 175041316 /nfs/dbraw/zinc/04/13/16/175041316.db2.gz QJGZYNURWYLROJ-HOTGVXAUSA-N 1 1 260.381 2.721 10 0 CFAEMO C[C@@H](C[NH+]1CCCC1)NCc1ccc(O)c(Cl)c1 ZINC000043488557 175056664 /nfs/dbraw/zinc/05/66/64/175056664.db2.gz JZDUYDJGSQCVTM-NSHDSACASA-N 1 1 268.788 2.620 10 0 CFAEMO CCOc1ccc2nc(SC3CC[NH2+]CC3)[nH]c2c1 ZINC000043501257 175058576 /nfs/dbraw/zinc/05/85/76/175058576.db2.gz JAOSFDQHUFUXCQ-UHFFFAOYSA-N 1 1 277.393 2.806 10 0 CFAEMO Cc1nnc([C@@H]2[NH2+]CCc3ccccc32)n1C1CCCC1 ZINC000043594628 175075418 /nfs/dbraw/zinc/07/54/18/175075418.db2.gz FAZAVTGGXWJXGH-MRXNPFEDSA-N 1 1 282.391 2.937 10 0 CFAEMO COc1cc([C@H]([NH3+])c2ccc(C)o2)cc(OC)c1OC ZINC000043609595 175078808 /nfs/dbraw/zinc/07/88/08/175078808.db2.gz RLUJFAJXEMFCQU-AWEZNQCLSA-N 1 1 277.320 2.662 10 0 CFAEMO CCOC(=O)[C@H](C)C[N@@H+](C)[C@@H](C)c1cccs1 ZINC000043615497 175079865 /nfs/dbraw/zinc/07/98/65/175079865.db2.gz IHGPTTDCQQLYNU-MNOVXSKESA-N 1 1 255.383 2.940 10 0 CFAEMO COc1cc([C@@H]([NH3+])c2ccc(C)o2)cc(OC)c1OC ZINC000043619056 175080110 /nfs/dbraw/zinc/08/01/10/175080110.db2.gz RLUJFAJXEMFCQU-CQSZACIVSA-N 1 1 277.320 2.662 10 0 CFAEMO Nc1c(Cl)cnn1[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000043665735 175086489 /nfs/dbraw/zinc/08/64/89/175086489.db2.gz DJYOOFBPKRJDDP-ZDUSSCGKSA-N 1 1 290.798 2.956 10 0 CFAEMO CC[NH2+][C@H]1CC[C@H](C(C)(C)C)C[C@@H]1N1CCN(CC)CC1 ZINC000043806026 175108694 /nfs/dbraw/zinc/10/86/94/175108694.db2.gz OFEPYTKDKVLDHZ-ULQDDVLXSA-N 1 1 295.515 2.817 10 0 CFAEMO CN[C@@H](C[N@H+](C)C(C)C)c1cc(C)ccc1OC ZINC000043813196 175110951 /nfs/dbraw/zinc/11/09/51/175110951.db2.gz OHHGJSUCXGXTJT-AWEZNQCLSA-N 1 1 250.386 2.604 10 0 CFAEMO CN[C@@H](C[N@@H+](C)C(C)C)c1cc(C)ccc1OC ZINC000043813196 175110953 /nfs/dbraw/zinc/11/09/53/175110953.db2.gz OHHGJSUCXGXTJT-AWEZNQCLSA-N 1 1 250.386 2.604 10 0 CFAEMO CN[C@@H](C[N@@H+]1CCC[C@@H](C)C1)c1ccccc1OC ZINC000043811687 175111223 /nfs/dbraw/zinc/11/12/23/175111223.db2.gz IRCKOZTYULGVTH-HIFRSBDPSA-N 1 1 262.397 2.688 10 0 CFAEMO CN[C@@H](C[N@H+]1CCC[C@@H](C)C1)c1ccccc1OC ZINC000043811687 175111225 /nfs/dbraw/zinc/11/12/25/175111225.db2.gz IRCKOZTYULGVTH-HIFRSBDPSA-N 1 1 262.397 2.688 10 0 CFAEMO CCCC[NH+](CCCC)[C@@H]1CC2(CC[C@@H]1NC)OCCO2 ZINC000043819454 175113967 /nfs/dbraw/zinc/11/39/67/175113967.db2.gz PPXTVPFDYSJHTG-JKSUJKDBSA-N 1 1 298.471 2.772 10 0 CFAEMO CN[C@H]1c2ccccc2OC[C@@H]1[N@H+](C)C1CCCC1 ZINC000043883769 175116074 /nfs/dbraw/zinc/11/60/74/175116074.db2.gz BBLRCNGFNURRRV-HOCLYGCPSA-N 1 1 260.381 2.583 10 0 CFAEMO CN[C@H]1c2ccccc2OC[C@@H]1[N@@H+](C)C1CCCC1 ZINC000043883769 175116075 /nfs/dbraw/zinc/11/60/75/175116075.db2.gz BBLRCNGFNURRRV-HOCLYGCPSA-N 1 1 260.381 2.583 10 0 CFAEMO CN[C@@H](C[N@H+](C)CC(C)C)c1ccc2c(c1)OCCCO2 ZINC000043886630 175116668 /nfs/dbraw/zinc/11/66/68/175116668.db2.gz CPJGGZHSCUGXEH-HNNXBMFYSA-N 1 1 292.423 2.696 10 0 CFAEMO CN[C@@H](C[N@@H+](C)CC(C)C)c1ccc2c(c1)OCCCO2 ZINC000043886630 175116669 /nfs/dbraw/zinc/11/66/69/175116669.db2.gz CPJGGZHSCUGXEH-HNNXBMFYSA-N 1 1 292.423 2.696 10 0 CFAEMO CCC[N@H+](C(C)C)[C@@H]1COc2ccccc2[C@@H]1NC ZINC000043885033 175116671 /nfs/dbraw/zinc/11/66/71/175116671.db2.gz HCAIEBQHKUMNMR-ZBFHGGJFSA-N 1 1 262.397 2.829 10 0 CFAEMO CCC[N@@H+](C(C)C)[C@@H]1COc2ccccc2[C@@H]1NC ZINC000043885033 175116672 /nfs/dbraw/zinc/11/66/72/175116672.db2.gz HCAIEBQHKUMNMR-ZBFHGGJFSA-N 1 1 262.397 2.829 10 0 CFAEMO CCC[N@H+](C)C[C@H](NCC)c1ccc2c(c1)OCCCO2 ZINC000043886152 175116817 /nfs/dbraw/zinc/11/68/17/175116817.db2.gz UARRAYZMZZRDDE-HNNXBMFYSA-N 1 1 292.423 2.840 10 0 CFAEMO CCC[N@@H+](C)C[C@H](NCC)c1ccc2c(c1)OCCCO2 ZINC000043886152 175116818 /nfs/dbraw/zinc/11/68/18/175116818.db2.gz UARRAYZMZZRDDE-HNNXBMFYSA-N 1 1 292.423 2.840 10 0 CFAEMO CN[C@@H]1c2ccccc2CCC[C@@H]1[NH+]1CCC(OC)CC1 ZINC000043889869 175117446 /nfs/dbraw/zinc/11/74/46/175117446.db2.gz OVLFOUDLKZJEIB-ZWKOTPCHSA-N 1 1 288.435 2.763 10 0 CFAEMO CC[N@@H+](CC(C)C)C[C@H](NC)c1ccc(OC)cc1OC ZINC000043887855 175117577 /nfs/dbraw/zinc/11/75/77/175117577.db2.gz VNRIICIFXYGUCT-INIZCTEOSA-N 1 1 294.439 2.942 10 0 CFAEMO CCN(CC(C)C)C[C@H]([NH2+]C)c1ccc(OC)cc1OC ZINC000043887855 175117578 /nfs/dbraw/zinc/11/75/78/175117578.db2.gz VNRIICIFXYGUCT-INIZCTEOSA-N 1 1 294.439 2.942 10 0 CFAEMO CC[N@@H+](CC(C)C)C[C@@H](NC)c1ccc2c(c1)OCCO2 ZINC000043887935 175117712 /nfs/dbraw/zinc/11/77/12/175117712.db2.gz QWIIBHZHETWNAK-OAHLLOKOSA-N 1 1 292.423 2.696 10 0 CFAEMO CCN(CC(C)C)C[C@@H]([NH2+]C)c1ccc2c(c1)OCCO2 ZINC000043887935 175117714 /nfs/dbraw/zinc/11/77/14/175117714.db2.gz QWIIBHZHETWNAK-OAHLLOKOSA-N 1 1 292.423 2.696 10 0 CFAEMO CC[N@@H+](CC(C)C)C[C@@H](NC)c1ccc(OC)cc1OC ZINC000043887857 175117854 /nfs/dbraw/zinc/11/78/54/175117854.db2.gz VNRIICIFXYGUCT-MRXNPFEDSA-N 1 1 294.439 2.942 10 0 CFAEMO CCN(CC(C)C)C[C@@H]([NH2+]C)c1ccc(OC)cc1OC ZINC000043887857 175117855 /nfs/dbraw/zinc/11/78/55/175117855.db2.gz VNRIICIFXYGUCT-MRXNPFEDSA-N 1 1 294.439 2.942 10 0 CFAEMO CCN[C@H](C[N@H+](C)CC(C)C)c1ccc(OC)cc1OC ZINC000043886739 175117906 /nfs/dbraw/zinc/11/79/06/175117906.db2.gz ZAZDVFKLDLYTQL-MRXNPFEDSA-N 1 1 294.439 2.942 10 0 CFAEMO CCN[C@H](C[N@@H+](C)CC(C)C)c1ccc(OC)cc1OC ZINC000043886739 175117907 /nfs/dbraw/zinc/11/79/07/175117907.db2.gz ZAZDVFKLDLYTQL-MRXNPFEDSA-N 1 1 294.439 2.942 10 0 CFAEMO CCN[C@@H](C[N@H+](C)[C@@H](C)C1CC1)c1ccc2c(c1)OCO2 ZINC000043894938 175119204 /nfs/dbraw/zinc/11/92/04/175119204.db2.gz KYUMKFBVSPAXJF-WFASDCNBSA-N 1 1 290.407 2.796 10 0 CFAEMO CCN[C@@H](C[N@@H+](C)[C@@H](C)C1CC1)c1ccc2c(c1)OCO2 ZINC000043894938 175119205 /nfs/dbraw/zinc/11/92/05/175119205.db2.gz KYUMKFBVSPAXJF-WFASDCNBSA-N 1 1 290.407 2.796 10 0 CFAEMO CN[C@@H](C[N@@H+](C)[C@@H](C)C1CC1)c1cc(C)ccc1OC ZINC000043894777 175119275 /nfs/dbraw/zinc/11/92/75/175119275.db2.gz SIAIPJOVXUIUKC-BBRMVZONSA-N 1 1 276.424 2.994 10 0 CFAEMO C[NH2+][C@@H](CN(C)[C@@H](C)C1CC1)c1cc(C)ccc1OC ZINC000043894777 175119277 /nfs/dbraw/zinc/11/92/77/175119277.db2.gz SIAIPJOVXUIUKC-BBRMVZONSA-N 1 1 276.424 2.994 10 0 CFAEMO CCN[C@@H](C[N@@H+]1CCC[C@@H]1C)c1cc(OC)ccc1OC ZINC000043903146 175122753 /nfs/dbraw/zinc/12/27/53/175122753.db2.gz QAJDDPRECFMBFC-BBRMVZONSA-N 1 1 292.423 2.839 10 0 CFAEMO CCN[C@@H](C[N@H+]1CCC[C@@H]1C)c1cc(OC)ccc1OC ZINC000043903146 175122755 /nfs/dbraw/zinc/12/27/55/175122755.db2.gz QAJDDPRECFMBFC-BBRMVZONSA-N 1 1 292.423 2.839 10 0 CFAEMO CCC[NH2+][C@@H]1CCCC[C@@H]1N(CCOC)CC(C)C ZINC000043970510 175131054 /nfs/dbraw/zinc/13/10/54/175131054.db2.gz HANBAUOKUBUUNO-CVEARBPZSA-N 1 1 270.461 2.902 10 0 CFAEMO CN[C@H](C[N@H+](CCOC)CC(C)C)c1ccc(OC)cc1 ZINC000043970259 175131407 /nfs/dbraw/zinc/13/14/07/175131407.db2.gz JKHCAXRCLZHLLQ-QGZVFWFLSA-N 1 1 294.439 2.560 10 0 CFAEMO CN[C@H](C[N@@H+](CCOC)CC(C)C)c1ccc(OC)cc1 ZINC000043970259 175131409 /nfs/dbraw/zinc/13/14/09/175131409.db2.gz JKHCAXRCLZHLLQ-QGZVFWFLSA-N 1 1 294.439 2.560 10 0 CFAEMO CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N(CCOC)[C@@H](C)C1CC1 ZINC000043977569 175133606 /nfs/dbraw/zinc/13/36/06/175133606.db2.gz UIZMBWFPYRQVCI-DIECFANBSA-N 1 1 282.472 2.900 10 0 CFAEMO CC[C@H]1CCC[N@H+]1[C@@H]1CCc2cc(OC)ccc2[C@@H]1O ZINC000044112662 175140972 /nfs/dbraw/zinc/14/09/72/175140972.db2.gz JTQILGXVBLOGHQ-XKQJLSEDSA-N 1 1 275.392 2.918 10 0 CFAEMO CCCN1CC[NH+]([C@@H](C)[C@@H](O)c2ccc(CC)cc2)CC1 ZINC000044114338 175141635 /nfs/dbraw/zinc/14/16/35/175141635.db2.gz LQDUEFOUIHGXDA-MAUKXSAKSA-N 1 1 290.451 2.699 10 0 CFAEMO CN1CCC([N@@H+](C)[C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2O)CC1 ZINC000044121331 175142752 /nfs/dbraw/zinc/14/27/52/175142752.db2.gz SZKXRPXETXJNPT-IMJJTQAJSA-N 1 1 282.472 2.588 10 0 CFAEMO CCC[N@@H+](C[C@H](O)c1ccc(OC)c(OC)c1)C(C)C ZINC000044127362 175144060 /nfs/dbraw/zinc/14/40/60/175144060.db2.gz HJQCLZBKSRYPGY-AWEZNQCLSA-N 1 1 281.396 2.858 10 0 CFAEMO CC(C)[C@@H]([C@@H](O)c1ccccc1)N1CCC([NH+](C)C)CC1 ZINC000044132975 175144637 /nfs/dbraw/zinc/14/46/37/175144637.db2.gz MJMNRBZGQLJEHH-ROUUACIJSA-N 1 1 290.451 2.771 10 0 CFAEMO CC(C)[C@@H]([C@@H](O)c1ccccc1)[NH+]1CCC(N(C)C)CC1 ZINC000044132975 175144638 /nfs/dbraw/zinc/14/46/38/175144638.db2.gz MJMNRBZGQLJEHH-ROUUACIJSA-N 1 1 290.451 2.771 10 0 CFAEMO CCc1ccc([C@H](O)[C@@H](C)[NH+]2CCN(C(C)C)CC2)cc1 ZINC000044132883 175144757 /nfs/dbraw/zinc/14/47/57/175144757.db2.gz XMNVMSBEMABYBK-CRAIPNDOSA-N 1 1 290.451 2.697 10 0 CFAEMO C[N@@H+](Cc1cccnc1)[C@@H]1CCCc2ccccc2[C@@H]1O ZINC000044134004 175145479 /nfs/dbraw/zinc/14/54/79/175145479.db2.gz SCMMVSUZTWIAQJ-MSOLQXFVSA-N 1 1 282.387 2.952 10 0 CFAEMO COc1ccc([C@@H](O)[C@H](C)[N@@H+](C)Cc2ccccn2)cc1 ZINC000044133556 175145755 /nfs/dbraw/zinc/14/57/55/175145755.db2.gz JEKNXHLNHGXPEY-GUYCJALGSA-N 1 1 286.375 2.644 10 0 CFAEMO Cc1cc(C)c([C@H](O)C[N@H+]2CCOC(C)(C)C2)c(C)c1 ZINC000044159856 175147062 /nfs/dbraw/zinc/14/70/62/175147062.db2.gz BNXAQLCIZDZPNX-OAHLLOKOSA-N 1 1 277.408 2.756 10 0 CFAEMO C[N@@H+](C[C@H](O)c1ccc2ccccc2c1)C1CCOCC1 ZINC000044160068 175147100 /nfs/dbraw/zinc/14/71/00/175147100.db2.gz NURXDQWLHSRUGL-SFHVURJKSA-N 1 1 285.387 2.984 10 0 CFAEMO CC(C)Oc1ccc([C@@H](O)C[N@@H+](C)C2CCOCC2)cc1 ZINC000044160222 175147451 /nfs/dbraw/zinc/14/74/51/175147451.db2.gz VKOWNBCCMNFHET-KRWDZBQOSA-N 1 1 293.407 2.618 10 0 CFAEMO CC(C)c1ccc([C@H](O)C[N@@H+](C)C2CCOCC2)cc1 ZINC000044160158 175147474 /nfs/dbraw/zinc/14/74/74/175147474.db2.gz IIOHOBSRXDHBLZ-QGZVFWFLSA-N 1 1 277.408 2.954 10 0 CFAEMO Cc1cc(C)c([C@@H](O)C[N@H+](C)C2CCOCC2)c(C)c1 ZINC000044160116 175147477 /nfs/dbraw/zinc/14/74/77/175147477.db2.gz QYOPDOXXEBGWJL-INIZCTEOSA-N 1 1 277.408 2.756 10 0 CFAEMO CC(C)Oc1ccc([C@@H](O)C[N@@H+](C)CC2CC2)cc1 ZINC000044161791 175147486 /nfs/dbraw/zinc/14/74/86/175147486.db2.gz DTJHCEIZUHEKTN-INIZCTEOSA-N 1 1 263.381 2.849 10 0 CFAEMO C[N@@H+](CCc1ccncc1)[C@@H]1CCCCCC[C@@H]1O ZINC000044161031 175147636 /nfs/dbraw/zinc/14/76/36/175147636.db2.gz DARLBESHHPORHT-CVEARBPZSA-N 1 1 262.397 2.640 10 0 CFAEMO CC[C@H]([C@H](O)c1ccccc1)[N@@H+](C)C1CCOCC1 ZINC000044160145 175147638 /nfs/dbraw/zinc/14/76/38/175147638.db2.gz XEMAIBTUTSGOAU-HZPDHXFCSA-N 1 1 263.381 2.609 10 0 CFAEMO Cc1ccc([C@H](O)C[N@H+](CCN(C)C)CC(C)C)c(C)c1 ZINC000044164435 175147777 /nfs/dbraw/zinc/14/77/77/175147777.db2.gz DHYDABRYPGNGMC-GOSISDBHSA-N 1 1 292.467 2.856 10 0 CFAEMO Cc1ccc([C@H](O)CN(CC[NH+](C)C)CC(C)C)c(C)c1 ZINC000044164435 175147779 /nfs/dbraw/zinc/14/77/79/175147779.db2.gz DHYDABRYPGNGMC-GOSISDBHSA-N 1 1 292.467 2.856 10 0 CFAEMO CCc1ccc([C@H](O)C[N@@H+](CCN(C)C)CC(C)C)cc1 ZINC000044164447 175148111 /nfs/dbraw/zinc/14/81/11/175148111.db2.gz CQDBUSJGTBVVAT-GOSISDBHSA-N 1 1 292.467 2.802 10 0 CFAEMO CCc1ccc([C@H](O)CN(CC[NH+](C)C)CC(C)C)cc1 ZINC000044164447 175148113 /nfs/dbraw/zinc/14/81/13/175148113.db2.gz CQDBUSJGTBVVAT-GOSISDBHSA-N 1 1 292.467 2.802 10 0 CFAEMO CC[C@@H]1CC[C@@H](O)[C@H]([N@@H+](CCOC)CC(C)C)C1 ZINC000044165963 175148333 /nfs/dbraw/zinc/14/83/33/175148333.db2.gz UZVFNXJDCHKCOS-RBSFLKMASA-N 1 1 257.418 2.530 10 0 CFAEMO C[C@@H]1CCC[C@H]([N@@H+](C)[C@@H]2COc3ccccc3[C@@H]2O)C1 ZINC000044168466 175148530 /nfs/dbraw/zinc/14/85/30/175148530.db2.gz JJLYVCSTHQQDQG-CXUGXGMPSA-N 1 1 275.392 2.992 10 0 CFAEMO CCCC[N@@H+](C1CC1)[C@@H]1COc2ccccc2[C@@H]1O ZINC000044167986 175148651 /nfs/dbraw/zinc/14/86/51/175148651.db2.gz MZNALTRIUNNSBM-ZBFHGGJFSA-N 1 1 261.365 2.746 10 0 CFAEMO COCC[N@@H+](CC(C)C)C[C@H](O)c1ccccc1C ZINC000044166007 175148683 /nfs/dbraw/zinc/14/86/83/175148683.db2.gz CHOIBCJMAHSPHR-INIZCTEOSA-N 1 1 265.397 2.633 10 0 CFAEMO COCC[N@@H+](C1CC1)[C@H]1CCCc2ccccc2[C@@H]1O ZINC000044172210 175149231 /nfs/dbraw/zinc/14/92/31/175149231.db2.gz FPDHLRXGPYBFOX-IRXDYDNUSA-N 1 1 275.392 2.536 10 0 CFAEMO CC(C)[C@@H]([C@H](O)c1ccccc1)[N@H+]1CCOCC1(C)C ZINC000044178163 175150523 /nfs/dbraw/zinc/15/05/23/175150523.db2.gz GCZWZMOJUHWNBY-JKSUJKDBSA-N 1 1 277.408 2.855 10 0 CFAEMO Cc1cc(C)c([C@@H](O)C[N@H+]2CCOCC2(C)C)c(C)c1 ZINC000044178181 175150585 /nfs/dbraw/zinc/15/05/85/175150585.db2.gz HJKDOXZWYZMIJP-HNNXBMFYSA-N 1 1 277.408 2.756 10 0 CFAEMO CCc1ccc([C@@H](O)[C@@H](C)[N@H+]2CCOCC2(C)C)cc1 ZINC000044178309 175150710 /nfs/dbraw/zinc/15/07/10/175150710.db2.gz NHSSQIXDVNBDMH-CJNGLKHVSA-N 1 1 277.408 2.782 10 0 CFAEMO Cc1cc(C)c([C@H](O)C[N@H+]2CCOCC2(C)C)c(C)c1 ZINC000044178179 175151092 /nfs/dbraw/zinc/15/10/92/175151092.db2.gz HJKDOXZWYZMIJP-OAHLLOKOSA-N 1 1 277.408 2.756 10 0 CFAEMO CC[C@H]([C@@H](O)c1ccccc1)[NH+]1CCN(CC2CC2)CC1 ZINC000044179943 175151487 /nfs/dbraw/zinc/15/14/87/175151487.db2.gz SENHJMYMOWISSW-MSOLQXFVSA-N 1 1 288.435 2.526 10 0 CFAEMO CC(C)c1[nH+]ccn1[C@@H]1COc2ccccc2[C@@H]1O ZINC000044184816 175152025 /nfs/dbraw/zinc/15/20/25/175152025.db2.gz IWYUAOBPSSIJJT-OCCSQVGLSA-N 1 1 258.321 2.674 10 0 CFAEMO Nc1ccc(N[C@@H]2CC[N@H+]3CCC[C@H]23)c(Cl)c1 ZINC000044389063 175170561 /nfs/dbraw/zinc/17/05/61/175170561.db2.gz SOTCANHVVMISSX-CHWSQXEVSA-N 1 1 251.761 2.571 10 0 CFAEMO C[C@H](C(N)=S)[N@@H+](C)Cc1ccccc1Br ZINC000044427338 175175199 /nfs/dbraw/zinc/17/51/99/175175199.db2.gz NHKSUBMLRMWVOT-MRVPVSSYSA-N 1 1 287.226 2.556 10 0 CFAEMO Cn1cc(-c2csc([C@H]([NH3+])c3ccccc3)n2)cn1 ZINC000044495519 175182446 /nfs/dbraw/zinc/18/24/46/175182446.db2.gz PWTLMHXAMDMODV-CYBMUJFWSA-N 1 1 270.361 2.592 10 0 CFAEMO C[NH+]1CCC(CNc2ccc(N)c3cnccc23)CC1 ZINC000044516764 175190642 /nfs/dbraw/zinc/19/06/42/175190642.db2.gz FQRLZMVEOSSFRN-UHFFFAOYSA-N 1 1 270.380 2.571 10 0 CFAEMO C[N@@H+]1CCC[C@H](CNCc2ccccc2N2CCCC2)C1 ZINC000044533191 175197246 /nfs/dbraw/zinc/19/72/46/175197246.db2.gz LGOLUYWNSPERKG-MRXNPFEDSA-N 1 1 287.451 2.718 10 0 CFAEMO C[N@H+]1CCC[C@H](CNCc2ccccc2N2CCCC2)C1 ZINC000044533191 175197248 /nfs/dbraw/zinc/19/72/48/175197248.db2.gz LGOLUYWNSPERKG-MRXNPFEDSA-N 1 1 287.451 2.718 10 0 CFAEMO CN1CCC[C@H](C[NH2+]Cc2ccccc2N2CCCC2)C1 ZINC000044533191 175197250 /nfs/dbraw/zinc/19/72/50/175197250.db2.gz LGOLUYWNSPERKG-MRXNPFEDSA-N 1 1 287.451 2.718 10 0 CFAEMO C[N@H+]1CCC[C@@H](CNCc2cc3c(c(Cl)c2)OCO3)C1 ZINC000044533922 175197564 /nfs/dbraw/zinc/19/75/64/175197564.db2.gz QSWDLODFYLWFJR-NSHDSACASA-N 1 1 296.798 2.500 10 0 CFAEMO CN1CCC[C@@H](C[NH2+]Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000044533922 175197570 /nfs/dbraw/zinc/19/75/70/175197570.db2.gz QSWDLODFYLWFJR-NSHDSACASA-N 1 1 296.798 2.500 10 0 CFAEMO COc1cccc(C2CC([NH2+]C[C@H]3CCCN(C)C3)C2)c1 ZINC000044533503 175197743 /nfs/dbraw/zinc/19/77/43/175197743.db2.gz JPYMFHYSVGCWOR-ODIFPOPNSA-N 1 1 288.435 2.873 10 0 CFAEMO COc1ccc(C2CC([NH2+]C[C@@H]3CCCN(C)C3)C2)cc1 ZINC000044533477 175197864 /nfs/dbraw/zinc/19/78/64/175197864.db2.gz AKRUMKYWVPZTBQ-OOHWJJMZSA-N 1 1 288.435 2.873 10 0 CFAEMO Cc1nnc(NC[C@H]2CCC[N@H+](C)C2)c2ccccc12 ZINC000044537963 175199670 /nfs/dbraw/zinc/19/96/70/175199670.db2.gz SGDHKMBIPWCHFQ-CYBMUJFWSA-N 1 1 270.380 2.692 10 0 CFAEMO Cc1[nH]c2ccccc2c1C[N@@H+]1CCCC[C@@H]1CN ZINC000044540435 175200498 /nfs/dbraw/zinc/20/04/98/175200498.db2.gz JUJZZSUSBMOXTQ-CYBMUJFWSA-N 1 1 257.381 2.790 10 0 CFAEMO Cc1[nH]c2ccccc2c1C[N@H+]1CCCC[C@@H]1CN ZINC000044540435 175200500 /nfs/dbraw/zinc/20/05/00/175200500.db2.gz JUJZZSUSBMOXTQ-CYBMUJFWSA-N 1 1 257.381 2.790 10 0 CFAEMO COc1ccc(Cl)cc1CNC[C@@H]1CCCC[N@@H+]1C ZINC000044560643 175203895 /nfs/dbraw/zinc/20/38/95/175203895.db2.gz TUOVEHNLNPLYQF-AWEZNQCLSA-N 1 1 282.815 2.923 10 0 CFAEMO COc1ccc(Cl)cc1CNC[C@@H]1CCCC[N@H+]1C ZINC000044560643 175203896 /nfs/dbraw/zinc/20/38/96/175203896.db2.gz TUOVEHNLNPLYQF-AWEZNQCLSA-N 1 1 282.815 2.923 10 0 CFAEMO C[N@H+]1CCCC[C@H]1CNCc1c(F)cccc1F ZINC000044561946 175205501 /nfs/dbraw/zinc/20/55/01/175205501.db2.gz ATIQZHAQORXZOC-NSHDSACASA-N 1 1 254.324 2.539 10 0 CFAEMO CN1CCCC[C@H]1C[NH2+]Cc1c(F)cccc1F ZINC000044561946 175205503 /nfs/dbraw/zinc/20/55/03/175205503.db2.gz ATIQZHAQORXZOC-NSHDSACASA-N 1 1 254.324 2.539 10 0 CFAEMO C[N@H+]1CCCC[C@H]1CNc1ncnc2sccc21 ZINC000044563152 175206286 /nfs/dbraw/zinc/20/62/86/175206286.db2.gz VNNYLDZMKAOSKE-JTQLQIEISA-N 1 1 262.382 2.588 10 0 CFAEMO CCC[N@@H+](CCOc1ccccc1C(C)=O)CCN(C)C ZINC000044572753 175210371 /nfs/dbraw/zinc/21/03/71/175210371.db2.gz LKQVRTOYPLLOGM-UHFFFAOYSA-N 1 1 292.423 2.542 10 0 CFAEMO CCCN(CCOc1ccccc1C(C)=O)CC[NH+](C)C ZINC000044572753 175210372 /nfs/dbraw/zinc/21/03/72/175210372.db2.gz LKQVRTOYPLLOGM-UHFFFAOYSA-N 1 1 292.423 2.542 10 0 CFAEMO CCOC[C@@H](C)[NH2+][C@@H](c1cccs1)c1nccn1C ZINC000044691190 175233098 /nfs/dbraw/zinc/23/30/98/175233098.db2.gz LKGPBZSICROKKG-YPMHNXCESA-N 1 1 279.409 2.586 10 0 CFAEMO Cc1cc(CNC2[C@@H]3CCC[C@H]2C[N@H+](C(C)C)C3)on1 ZINC000044987412 175285139 /nfs/dbraw/zinc/28/51/39/175285139.db2.gz AKFJMKZKFKEDMF-MZBDJJRSSA-N 1 1 277.412 2.582 10 0 CFAEMO CCOC(=O)[C@](C)(CCOC)[NH2+]C1CCCCCC1 ZINC000045044389 175295484 /nfs/dbraw/zinc/29/54/84/175295484.db2.gz WIWUWTJHJBZRKW-HNNXBMFYSA-N 1 1 271.401 2.657 10 0 CFAEMO NC[C@H](c1ccccn1)[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045067074 175300444 /nfs/dbraw/zinc/30/04/44/175300444.db2.gz HTOSNSQPOFHYAV-HZPDHXFCSA-N 1 1 259.397 2.736 10 0 CFAEMO [NH3+]C[C@H](c1ccccn1)N1CCC[C@@H]1C1CCCC1 ZINC000045067074 175300447 /nfs/dbraw/zinc/30/04/47/175300447.db2.gz HTOSNSQPOFHYAV-HZPDHXFCSA-N 1 1 259.397 2.736 10 0 CFAEMO COc1ccc([C@@H](O)C[N@@H+](C)CC(C)(C)C)c(OC)c1 ZINC000045087247 175304030 /nfs/dbraw/zinc/30/40/30/175304030.db2.gz UPDINLVOAJUPNS-AWEZNQCLSA-N 1 1 281.396 2.715 10 0 CFAEMO COc1ccc([C@H](O)C[N@@H+](C)CC(C)(C)C)cc1 ZINC000045087211 175304269 /nfs/dbraw/zinc/30/42/69/175304269.db2.gz REQVQZPDMCRFSZ-CQSZACIVSA-N 1 1 251.370 2.707 10 0 CFAEMO COc1ccc([C@@H](O)C[N@@H+](C)CC(C)(C)C)cc1 ZINC000045087209 175304410 /nfs/dbraw/zinc/30/44/10/175304410.db2.gz REQVQZPDMCRFSZ-AWEZNQCLSA-N 1 1 251.370 2.707 10 0 CFAEMO CCC[N@@H+](CC(N)=S)Cc1ccc(C)c(C)c1 ZINC000045093621 175306843 /nfs/dbraw/zinc/30/68/43/175306843.db2.gz UXJVSFASBWYKNH-UHFFFAOYSA-N 1 1 250.411 2.802 10 0 CFAEMO CC(C)c1n[nH]c(=S)n1C[C@H]1CC[N@H+](C(C)C)C1 ZINC000045135887 175313388 /nfs/dbraw/zinc/31/33/88/175313388.db2.gz IZSJTILTMBPEDS-NSHDSACASA-N 1 1 268.430 2.794 10 0 CFAEMO Cn1cc[nH+]c1CCNc1nc2cc(F)ccc2s1 ZINC000045136029 175313408 /nfs/dbraw/zinc/31/34/08/175313408.db2.gz URKKTXLVHYBYMZ-UHFFFAOYSA-N 1 1 276.340 2.824 10 0 CFAEMO CC(C)[N@H+]1CC[C@@H](Cn2c(=S)[nH]nc2C2CC2)C1 ZINC000045135881 175313556 /nfs/dbraw/zinc/31/35/56/175313556.db2.gz OOUQVLDMEKVSFE-SNVBAGLBSA-N 1 1 266.414 2.548 10 0 CFAEMO CCn1nc(C)c([C@@H](C)[NH2+]C[C@H](C(C)C)N(C)C)c1C ZINC000045168590 175319840 /nfs/dbraw/zinc/31/98/40/175319840.db2.gz RCNPYZHVEWRESV-IUODEOHRSA-N 1 1 280.460 2.757 10 0 CFAEMO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]C[C@@H](C(C)C)N1CCCC1 ZINC000045168887 175319879 /nfs/dbraw/zinc/31/98/79/175319879.db2.gz ZKBPDYYXWOMTBO-CJNGLKHVSA-N 1 1 292.471 2.808 10 0 CFAEMO Cc1nn(C)c(C)c1[C@H](C)[NH2+]C[C@H](C(C)C)N1CCCC1 ZINC000045168893 175320119 /nfs/dbraw/zinc/32/01/19/175320119.db2.gz ZKBPDYYXWOMTBO-XJKSGUPXSA-N 1 1 292.471 2.808 10 0 CFAEMO Cc1nn(C)c(C)c1[C@H](C)NC[C@H](C)[NH+]1CCCCC1 ZINC000045171911 175321228 /nfs/dbraw/zinc/32/12/28/175321228.db2.gz JKGQTLRPYIJRIS-STQMWFEESA-N 1 1 278.444 2.562 10 0 CFAEMO Cc1nn(C)c(C)c1[C@@H](C)N[C@H](C)C[NH+]1CCCCC1 ZINC000045171216 175321319 /nfs/dbraw/zinc/32/13/19/175321319.db2.gz YPWIPUUPLHCZLO-CHWSQXEVSA-N 1 1 278.444 2.562 10 0 CFAEMO CCCC[N@@H+](CC)C[C@@](N)(C(=O)OCC)c1ccccc1 ZINC000045223210 175331562 /nfs/dbraw/zinc/33/15/62/175331562.db2.gz JOLCUIXHULORMY-KRWDZBQOSA-N 1 1 292.423 2.526 10 0 CFAEMO CCCN[C@@](C)(CC[N@@H+](CC)C1CCCC1)C(=O)OCC ZINC000045269314 175341430 /nfs/dbraw/zinc/34/14/30/175341430.db2.gz QATZBHACWAMDQL-KRWDZBQOSA-N 1 1 298.471 2.962 10 0 CFAEMO CCN[C@@](C)(CC[N@@H+](C)C1CCCCCC1)C(=O)OCC ZINC000045271995 175342410 /nfs/dbraw/zinc/34/24/10/175342410.db2.gz YAXFOBHZXYNRRH-KRWDZBQOSA-N 1 1 298.471 2.962 10 0 CFAEMO CCC[NH2+][C@@](C)(CC[N@@H+](C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000045274775 175345112 /nfs/dbraw/zinc/34/51/12/175345112.db2.gz MJNHFAZDKQVIQG-WFASDCNBSA-N 1 1 272.433 2.586 10 0 CFAEMO CCC[N@@H+](CC[C@](C)(NC1CC1)C(=O)OCC)CC1CC1 ZINC000045276954 175346621 /nfs/dbraw/zinc/34/66/21/175346621.db2.gz SUPNPCOJYUEWJR-KRWDZBQOSA-N 1 1 296.455 2.572 10 0 CFAEMO COC(=O)[C@@](C)(C[N@H+]1CCC[C@@H]1C1CCCC1)NC(C)C ZINC000045277381 175347209 /nfs/dbraw/zinc/34/72/09/175347209.db2.gz FCXSMQMTLRBFPR-NVXWUHKLSA-N 1 1 296.455 2.571 10 0 CFAEMO CCOC(=O)[C@@](C)(CC[N@@H+](CC(C)C)C1CC1)NC(C)C ZINC000045277584 175347679 /nfs/dbraw/zinc/34/76/79/175347679.db2.gz ICTCREWFHXFKFE-QGZVFWFLSA-N 1 1 298.471 2.817 10 0 CFAEMO COC(=O)[C@](C)(C[N@H+]1CCC[C@@H]1C1CCCC1)NC(C)C ZINC000045277380 175347820 /nfs/dbraw/zinc/34/78/20/175347820.db2.gz FCXSMQMTLRBFPR-WBVHZDCISA-N 1 1 296.455 2.571 10 0 CFAEMO CCN[C@](C)(C[N@H+]1CCC[C@@H]1C1CCCC1)C(=O)OCC ZINC000045277372 175347845 /nfs/dbraw/zinc/34/78/45/175347845.db2.gz DWDQGPREROPNRN-NVXWUHKLSA-N 1 1 296.455 2.572 10 0 CFAEMO CCC[NH2+][C@@](C)(CC[N@@H+](C)C1CCC(C)CC1)C(=O)[O-] ZINC000045280579 175350097 /nfs/dbraw/zinc/35/00/97/175350097.db2.gz MTXDNIXPOKJMAD-XUJLQICISA-N 1 1 284.444 2.730 10 0 CFAEMO CCCN[C@@](C)(C[N@@H+](C)C1CCC(C)CC1)C(=O)OCC ZINC000045280545 175350435 /nfs/dbraw/zinc/35/04/35/175350435.db2.gz XCETWZIMIZVMPW-DQPZFDDXSA-N 1 1 298.471 2.818 10 0 CFAEMO CCCN[C@](C)(C[N@@H+](CC(C)C)C(C)C)C(=O)OCC ZINC000045280702 175351018 /nfs/dbraw/zinc/35/10/18/175351018.db2.gz YIMBVDRDDVDORN-MRXNPFEDSA-N 1 1 286.460 2.674 10 0 CFAEMO CCN[C@](C)(C[N@@H+](C)C1CCC(CC)CC1)C(=O)OCC ZINC000045281106 175352170 /nfs/dbraw/zinc/35/21/70/175352170.db2.gz SGCCVYBGMIMFAU-VMBOVVBDSA-N 1 1 298.471 2.818 10 0 CFAEMO CCCN[C@](C)(CC[N@@H+](C)CC1CCCCC1)C(=O)OC ZINC000045281670 175352500 /nfs/dbraw/zinc/35/25/00/175352500.db2.gz TVGYDDGXBSUOCE-QGZVFWFLSA-N 1 1 298.471 2.820 10 0 CFAEMO COC(=O)[C@@](C)(CC[N@@H+](C)CC1CCCCC1)NC1CC1 ZINC000045281685 175352673 /nfs/dbraw/zinc/35/26/73/175352673.db2.gz MHJHBTMYXXJCML-QGZVFWFLSA-N 1 1 296.455 2.572 10 0 CFAEMO COC(=O)[C@](C)(CC[N@@H+](C)CC1CCCCC1)NC(C)C ZINC000045281676 175352928 /nfs/dbraw/zinc/35/29/28/175352928.db2.gz IEGQATBOPPBDBV-KRWDZBQOSA-N 1 1 298.471 2.818 10 0 CFAEMO CCCC[N@@H+](C)CCCC[C@](C)(NC(C)C)C(=O)OC ZINC000045368264 175362988 /nfs/dbraw/zinc/36/29/88/175362988.db2.gz ZWRIQBUJSLXTRS-INIZCTEOSA-N 1 1 286.460 2.818 10 0 CFAEMO CCCC[N@@H+](C)CCC[C@@](C)(NC1CC1)C(=O)OCC ZINC000045368427 175363755 /nfs/dbraw/zinc/36/37/55/175363755.db2.gz YFULKZUAULWRGT-MRXNPFEDSA-N 1 1 284.444 2.572 10 0 CFAEMO CC[N@@H+](CCCC[C@](C)([NH3+])C(=O)[O-])C1CCCCC1 ZINC000045372028 175364234 /nfs/dbraw/zinc/36/42/34/175364234.db2.gz ODWQJEQZDQMHER-HNNXBMFYSA-N 1 1 270.417 2.613 10 0 CFAEMO CCOC(=O)[C@@](C)(CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)NC ZINC000045373319 175364754 /nfs/dbraw/zinc/36/47/54/175364754.db2.gz SMFJCALMVGQSRQ-HLLBOEOZSA-N 1 1 298.471 2.676 10 0 CFAEMO COC(=O)[C@](C)(CCCN(C)c1ccccc1)[NH2+]C(C)C ZINC000045376641 175366971 /nfs/dbraw/zinc/36/69/71/175366971.db2.gz TYVWCFCLYNIKQK-KRWDZBQOSA-N 1 1 292.423 2.833 10 0 CFAEMO COC(=O)[C@](C)(CCC[N@@H+]1[C@H](C)CCC[C@@H]1C)NC1CC1 ZINC000045379760 175368984 /nfs/dbraw/zinc/36/89/84/175368984.db2.gz HYZDAYLQVJKMRP-VBQJREDUSA-N 1 1 296.455 2.713 10 0 CFAEMO CCCN[C@@](C)(CCC[N@@H+](CC)CC(C)C)C(=O)OC ZINC000045381842 175369649 /nfs/dbraw/zinc/36/96/49/175369649.db2.gz AXRBEVIQWVLNKW-INIZCTEOSA-N 1 1 286.460 2.676 10 0 CFAEMO CCOC(=O)[C@](C)(CCCC[N@@H+](C)[C@@H](C)CC)NC1CC1 ZINC000045381342 175369936 /nfs/dbraw/zinc/36/99/36/175369936.db2.gz PUKDLLDPTJLXMT-YOEHRIQHSA-N 1 1 298.471 2.961 10 0 CFAEMO CCOC(=O)[C@@](C)(N)CCCC[N@H+]1CCCC[C@@H]1CC ZINC000045384112 175370818 /nfs/dbraw/zinc/37/08/18/175370818.db2.gz VLERGGHMQMIMLI-HOCLYGCPSA-N 1 1 284.444 2.702 10 0 CFAEMO CCCN[C@](C)(CCC[N@@H+](CCC)C(C)C)C(=O)OC ZINC000045386036 175371694 /nfs/dbraw/zinc/37/16/94/175371694.db2.gz KSXOMIMIOXHMIW-MRXNPFEDSA-N 1 1 286.460 2.818 10 0 CFAEMO CCC[N@@H+](CCCC[C@@](C)(NC1CC1)C(=O)OC)C1CC1 ZINC000045387497 175372685 /nfs/dbraw/zinc/37/26/85/175372685.db2.gz MGAGIZAOLYVFTN-QGZVFWFLSA-N 1 1 296.455 2.715 10 0 CFAEMO CCCCC[N@@H+](C)CCC[C@](C)(NC(C)C)C(=O)OC ZINC000045388181 175374231 /nfs/dbraw/zinc/37/42/31/175374231.db2.gz AGBOWSFHPLPTGX-INIZCTEOSA-N 1 1 286.460 2.818 10 0 CFAEMO CCC(CC)[N@@H+](C)CCCC[C@](C)(NC1CC1)C(=O)OC ZINC000045391495 175374406 /nfs/dbraw/zinc/37/44/06/175374406.db2.gz JQEKEAHRRIJRPV-KRWDZBQOSA-N 1 1 298.471 2.961 10 0 CFAEMO CCN[C@@](C)(CCC[N@@H+](C)C(CC)CC)C(=O)OCC ZINC000045391605 175374588 /nfs/dbraw/zinc/37/45/88/175374588.db2.gz GOEGSAOKXRZDII-INIZCTEOSA-N 1 1 286.460 2.818 10 0 CFAEMO CCOC(=O)[C@](C)(CCCC[N@@H+](CC)C1CCCC1)NC ZINC000045390478 175374828 /nfs/dbraw/zinc/37/48/28/175374828.db2.gz OVYAZAKOIIAQCD-KRWDZBQOSA-N 1 1 298.471 2.962 10 0 CFAEMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1cc(Cl)ccc1F 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CC[C@@H](C)[N@H+]1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000192847966 270235026 /nfs/dbraw/zinc/23/50/26/270235026.db2.gz RZRJDRQKLAIQMO-CABCVRRESA-N 1 1 298.471 2.913 10 0 CFAEMO CC1(C)CCCC[C@H]1C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000193936741 270241113 /nfs/dbraw/zinc/24/11/13/270241113.db2.gz JUAVQOROARUWMR-CABCVRRESA-N 1 1 278.440 2.900 10 0 CFAEMO CC[C@](C)(O)C[N@H+]1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000323443625 270297994 /nfs/dbraw/zinc/29/79/94/270297994.db2.gz ZTEWISSSTKSSNB-WMZOPIPTSA-N 1 1 290.451 2.601 10 0 CFAEMO CCc1nc(NC(C)(C)COC(C)C)cc(C)[nH+]1 ZINC000396416179 270314968 /nfs/dbraw/zinc/31/49/68/270314968.db2.gz LEGJPQCZCDSEJA-UHFFFAOYSA-N 1 1 251.374 2.963 10 0 CFAEMO O[C@@H]1CC[C@H]2C[N@@H+](CCCCC3CCOCC3)C[C@H]2C1 ZINC000398924509 270325182 /nfs/dbraw/zinc/32/51/82/270325182.db2.gz MRZHOPAKJYQXNB-GVDBMIGSSA-N 1 1 281.440 2.676 10 0 CFAEMO CC(C)(C)c1cnc(C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)o1 ZINC000398920700 270325207 /nfs/dbraw/zinc/32/52/07/270325207.db2.gz LQQVCXUGFIDFAP-RWMBFGLXSA-N 1 1 278.396 2.565 10 0 CFAEMO O[C@@H]1CC[C@@H]2C[N@@H+](CCSc3ccccc3)C[C@H]2C1 ZINC000399040643 270325677 /nfs/dbraw/zinc/32/56/77/270325677.db2.gz BVDYTKTVFWZCOU-RBSFLKMASA-N 1 1 277.433 2.872 10 0 CFAEMO CCn1c2ccccc2nc1[C@H](C)[NH2+]Cc1cncnc1 ZINC000171384605 273779462 /nfs/dbraw/zinc/77/94/62/273779462.db2.gz NODSBDUXHVVSEC-LBPRGKRZSA-N 1 1 281.363 2.697 10 0 CFAEMO CC[N@@H+](C)[C@@H]1CCN(c2nc(C(F)(F)F)cs2)C1 ZINC000302792068 276077479 /nfs/dbraw/zinc/07/74/79/276077479.db2.gz YWUBZYKRAGPVHG-MRVPVSSYSA-N 1 1 279.331 2.692 10 0 CFAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cc2ccccc2o1 ZINC000177019956 276181543 /nfs/dbraw/zinc/18/15/43/276181543.db2.gz NVVBXCDWPVFGFI-AWEZNQCLSA-N 1 1 286.375 2.989 10 0 CFAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccccc1SC ZINC000176964045 276182111 /nfs/dbraw/zinc/18/21/11/276182111.db2.gz IZEFVGOMLPUCPO-ZDUSSCGKSA-N 1 1 292.448 2.965 10 0 CFAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1csc(C)c1C ZINC000179957498 276182574 /nfs/dbraw/zinc/18/25/74/276182574.db2.gz FQYVTMACKYTUDQ-ZDUSSCGKSA-N 1 1 280.437 2.921 10 0 CFAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)CCc1ccc(C)cc1 ZINC000176996699 276376443 /nfs/dbraw/zinc/37/64/43/276376443.db2.gz YNQDXKYROWRDNA-KRWDZBQOSA-N 1 1 288.435 2.870 10 0 CFAEMO C[N@@H+]1CCO[C@](C)(c2ccc(Br)cc2)C1 ZINC000033883660 277132228 /nfs/dbraw/zinc/13/22/28/277132228.db2.gz OYQNGONOBUSPLZ-LBPRGKRZSA-N 1 1 270.170 2.626 10 0 CFAEMO C[N@H+]1CCO[C@](C)(c2ccc(Br)cc2)C1 ZINC000033883660 277132230 /nfs/dbraw/zinc/13/22/30/277132230.db2.gz OYQNGONOBUSPLZ-LBPRGKRZSA-N 1 1 270.170 2.626 10 0 CFAEMO CC(C)(C)N1CCC([NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000085636003 277152644 /nfs/dbraw/zinc/15/26/44/277152644.db2.gz BVTLXIGKCFSFJA-KKUMJFAQSA-N 1 1 280.456 2.652 10 0 CFAEMO CC(C)(C)OC(=O)N1CC[NH2+]C[C@H]1c1cccs1 ZINC000095752350 277189082 /nfs/dbraw/zinc/18/90/82/277189082.db2.gz LNBLYEPFGUKMRT-JTQLQIEISA-N 1 1 268.382 2.630 10 0 CFAEMO CC(C)(C)OC1CC([N@H+]2CC3(CCC3)[C@H]3COC[C@@H]32)C1 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ABDYQKFZEDDRSF-JTQLQIEISA-N 1 1 250.371 2.771 10 0 CFAEMO CC[NH2+]Cc1nnc(Cc2c(F)cccc2Cl)o1 ZINC000050615634 520025765 /nfs/dbraw/zinc/02/57/65/520025765.db2.gz YJAMIPWOQDHAMQ-UHFFFAOYSA-N 1 1 269.707 2.562 10 0 CFAEMO CC[NH2+][C@@H](c1nnc(-c2cnoc2C)o1)c1ccccc1 ZINC000050618075 520114455 /nfs/dbraw/zinc/11/44/55/520114455.db2.gz RLBBOIUPEUDGHO-CYBMUJFWSA-N 1 1 284.319 2.732 10 0 CFAEMO CCCNc1cc(C[NH+]2C[C@H](C)O[C@@H](C)C2)ccn1 ZINC000052709857 520136877 /nfs/dbraw/zinc/13/68/77/520136877.db2.gz ZEJLOVWCLAPVNW-STQMWFEESA-N 1 1 263.385 2.513 10 0 CFAEMO CCCCC[N@@H+](C)Cc1nc2sccc2c(N)n1 ZINC000050813329 520151812 /nfs/dbraw/zinc/15/18/12/520151812.db2.gz FMOXBTYMZKSGCK-UHFFFAOYSA-N 1 1 264.398 2.896 10 0 CFAEMO CCNc1ccc(C[N@@H+]2C[C@H](C)OC(C)(C)C2)cn1 ZINC000050816330 520303311 /nfs/dbraw/zinc/30/33/11/520303311.db2.gz BFXFEGHKBLCRHZ-LBPRGKRZSA-N 1 1 263.385 2.513 10 0 CFAEMO CCNc1ccc(C[N@H+]2C[C@H](C)OC(C)(C)C2)cn1 ZINC000050816330 520303318 /nfs/dbraw/zinc/30/33/18/520303318.db2.gz 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/nfs/dbraw/zinc/96/61/54/520966154.db2.gz DFAYKOLOLDTJHK-ABAIWWIYSA-N 1 1 250.361 2.946 10 0 CFAEMO CCN(CC1CC1)[C@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000069237115 520966163 /nfs/dbraw/zinc/96/61/63/520966163.db2.gz DFAYKOLOLDTJHK-ABAIWWIYSA-N 1 1 250.361 2.946 10 0 CFAEMO CC[N@@H+](CC1CC1)[C@@H]1CCc2ccccc2[C@@H]1NC ZINC000069237706 520969516 /nfs/dbraw/zinc/96/95/16/520969516.db2.gz IOTGHGTXEUHSFO-SJORKVTESA-N 1 1 258.409 2.994 10 0 CFAEMO CCN(CC1CC1)[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C ZINC000069237706 520969520 /nfs/dbraw/zinc/96/95/20/520969520.db2.gz IOTGHGTXEUHSFO-SJORKVTESA-N 1 1 258.409 2.994 10 0 CFAEMO CCC(=O)CC[N@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000249060484 521078627 /nfs/dbraw/zinc/07/86/27/521078627.db2.gz PDIOYCMCEQZDPI-DOTOQJQBSA-N 1 1 275.392 2.944 10 0 CFAEMO CC[N@H+](CCOC)[C@H](CN)c1csc2ccccc12 ZINC000054464403 521137877 /nfs/dbraw/zinc/13/78/77/521137877.db2.gz MRSQRBUVSSESII-CQSZACIVSA-N 1 1 278.421 2.869 10 0 CFAEMO CC[N@@H+](CCOC)[C@H](CN)c1csc2ccccc12 ZINC000054464403 521137881 /nfs/dbraw/zinc/13/78/81/521137881.db2.gz MRSQRBUVSSESII-CQSZACIVSA-N 1 1 278.421 2.869 10 0 CFAEMO CCOc1ccc([C@@H](N)C[N@@H+](CC)CC2CC2)cc1 ZINC000069237630 521228890 /nfs/dbraw/zinc/22/88/90/521228890.db2.gz GECMKTSRWLJBPH-INIZCTEOSA-N 1 1 262.397 2.817 10 0 CFAEMO CCOc1ccc([C@@H]([NH3+])CN(CC)CC2CC2)cc1 ZINC000069237630 521228898 /nfs/dbraw/zinc/22/88/98/521228898.db2.gz GECMKTSRWLJBPH-INIZCTEOSA-N 1 1 262.397 2.817 10 0 CFAEMO CC[N@@H+](C[C@H](N)c1cc(C)ccc1OC)CC1CC1 ZINC000069237742 521259940 /nfs/dbraw/zinc/25/99/40/521259940.db2.gz FCFRYTQZVJPUAB-HNNXBMFYSA-N 1 1 262.397 2.735 10 0 CFAEMO CCOC(=O)[C@](C)(CCCOC(C)C)[NH2+]C(C)C ZINC000045502321 521320327 /nfs/dbraw/zinc/32/03/27/521320327.db2.gz IVYQFCSRRUZJAR-AWEZNQCLSA-N 1 1 259.390 2.511 10 0 CFAEMO CCC[N@@H+](C)Cc1nc2sccc2c(NCC)n1 ZINC000050813180 521502558 /nfs/dbraw/zinc/50/25/58/521502558.db2.gz NKNNEAUBJILFSN-UHFFFAOYSA-N 1 1 264.398 2.965 10 0 CFAEMO CCCc1nc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)cs1 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CC[N@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](C)c1cccs1 ZINC000245427589 521652384 /nfs/dbraw/zinc/65/23/84/521652384.db2.gz WBCNWZUMNLZGFN-OLZOCXBDSA-N 1 1 295.452 2.935 10 0 CFAEMO CCC[N@@H+](Cc1nc2sccc2c(N)n1)C1CC1 ZINC000050812714 521694836 /nfs/dbraw/zinc/69/48/36/521694836.db2.gz KMRCBJGQMYNRSW-UHFFFAOYSA-N 1 1 262.382 2.648 10 0 CFAEMO CN(C)C[C@H]1CCC[N@H+]1CCNc1cccc(Cl)c1 ZINC000061655166 521868787 /nfs/dbraw/zinc/86/87/87/521868787.db2.gz GRPMODAIVIPTID-OAHLLOKOSA-N 1 1 281.831 2.778 10 0 CFAEMO C[NH+](C)C[C@H]1CCCN1CCNc1cccc(Cl)c1 ZINC000061655166 521868791 /nfs/dbraw/zinc/86/87/91/521868791.db2.gz GRPMODAIVIPTID-OAHLLOKOSA-N 1 1 281.831 2.778 10 0 CFAEMO CCc1ccccc1[C@@H]([NH3+])c1noc(C(C)(C)C)n1 ZINC000052204869 521932693 /nfs/dbraw/zinc/93/26/93/521932693.db2.gz OPLNRPGXPJLDKU-GFCCVEGCSA-N 1 1 259.353 2.978 10 0 CFAEMO CC[C@@H](C)[N@@H+](CCOC)Cc1nc2sccc2c(N)n1 ZINC000050816987 522092245 /nfs/dbraw/zinc/09/22/45/522092245.db2.gz WENRBTACBNGDIS-SNVBAGLBSA-N 1 1 294.424 2.520 10 0 CFAEMO CCc1csc([C@@H]2CCC[N@@H+]([C@H](CC)C(=O)OC)C2)n1 ZINC000249888101 522113311 /nfs/dbraw/zinc/11/33/11/522113311.db2.gz PSHGCPDLMPFMQT-DGCLKSJQSA-N 1 1 296.436 2.837 10 0 CFAEMO CCc1csc([C@@H]2CCC[N@H+]([C@H](CC)C(=O)OC)C2)n1 ZINC000249888101 522113320 /nfs/dbraw/zinc/11/33/20/522113320.db2.gz PSHGCPDLMPFMQT-DGCLKSJQSA-N 1 1 296.436 2.837 10 0 CFAEMO CCc1nnc([C@@H]2C[N@@H+](C[C@H]3CCC[C@@H](C)C3)CCO2)[nH]1 ZINC000245548205 522138154 /nfs/dbraw/zinc/13/81/54/522138154.db2.gz YHKDCLNEHSYSCC-RDBSUJKOSA-N 1 1 292.427 2.567 10 0 CFAEMO C[NH2+][C@@H](C)c1nnc(Cc2ccc(Br)cc2)o1 ZINC000050618501 522340321 /nfs/dbraw/zinc/34/03/21/522340321.db2.gz QLWWDIXMXZZQTG-QMMMGPOBSA-N 1 1 296.168 2.703 10 0 CFAEMO CC[C@H]([NH3+])c1nnc(-c2cccc(OC(C)C)c2)o1 ZINC000061667200 522349149 /nfs/dbraw/zinc/34/91/49/522349149.db2.gz WRBAOVYSOTYJIA-LBPRGKRZSA-N 1 1 261.325 2.934 10 0 CFAEMO C[NH2+][C@@](C)(CCCN(C)c1cc(C)cc(C)c1)C(=O)OC ZINC000049989630 522408974 /nfs/dbraw/zinc/40/89/74/522408974.db2.gz GVADGUVQUBAWDG-KRWDZBQOSA-N 1 1 292.423 2.671 10 0 CFAEMO CC[C@@H](C[NH2+]C(C)C)N1CCN(C)C[C@@H]1c1ccccc1 ZINC000052416944 522544661 /nfs/dbraw/zinc/54/46/61/522544661.db2.gz ZRYZTXNTYLAOAJ-ZWKOTPCHSA-N 1 1 289.467 2.752 10 0 CFAEMO COC1(C[N@H+]2CCC[C@H]2CCCO)CCCCC1 ZINC000361568723 522604292 /nfs/dbraw/zinc/60/42/92/522604292.db2.gz YDIDCPPFAZWFDD-AWEZNQCLSA-N 1 1 255.402 2.573 10 0 CFAEMO CNc1nc(C[N@@H+]2CCC[C@H](C)C2)nc2sccc21 ZINC000050792448 522680775 /nfs/dbraw/zinc/68/07/75/522680775.db2.gz NISKGEFLBKDRKM-JTQLQIEISA-N 1 1 276.409 2.965 10 0 CFAEMO CNc1nc(C[N@H+]2CCC[C@H](C)C2)nc2sccc21 ZINC000050792448 522680791 /nfs/dbraw/zinc/68/07/91/522680791.db2.gz NISKGEFLBKDRKM-JTQLQIEISA-N 1 1 276.409 2.965 10 0 CFAEMO CNc1snnc1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000050814406 522733860 /nfs/dbraw/zinc/73/38/60/522733860.db2.gz IAWVFNOYABIARC-GFCCVEGCSA-N 1 1 274.393 2.569 10 0 CFAEMO CNc1snnc1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000050814406 522733867 /nfs/dbraw/zinc/73/38/67/522733867.db2.gz IAWVFNOYABIARC-GFCCVEGCSA-N 1 1 274.393 2.569 10 0 CFAEMO CC[C@@H](NC(=O)c1cc2ccccc2c(NN)[nH+]1)C(C)C ZINC000051113526 522779850 /nfs/dbraw/zinc/77/98/50/522779850.db2.gz OEYNMZBJXHSKAU-CYBMUJFWSA-N 1 1 286.379 2.685 10 0 CFAEMO CC[C@H](O)C[NH+]1CCN(CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000246457828 522814075 /nfs/dbraw/zinc/81/40/75/522814075.db2.gz YPNIXQWTTDPGEE-IKGGRYGDSA-N 1 1 282.472 2.591 10 0 CFAEMO C[N@@H+](CCc1ccncc1)Cc1ccc(Cl)cc1N ZINC000050443006 522977755 /nfs/dbraw/zinc/97/77/55/522977755.db2.gz ZCGZBFYACJXQCQ-UHFFFAOYSA-N 1 1 275.783 2.992 10 0 CFAEMO CCc1sc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1C ZINC000195310206 523070536 /nfs/dbraw/zinc/07/05/36/523070536.db2.gz CDABKVHARGJZOB-GFCCVEGCSA-N 1 1 278.421 2.539 10 0 CFAEMO CCn1c(C[NH2+][C@@H](CN(C)C)C(C)C)nc2ccccc21 ZINC000049199484 523196975 /nfs/dbraw/zinc/19/69/75/523196975.db2.gz AFPDCYQZPYOJDD-HNNXBMFYSA-N 1 1 288.439 2.732 10 0 CFAEMO CC[C@@H]1CCC[N@@H+](Cc2ncccc2C(=O)OC)CC1 ZINC000312236665 523251914 /nfs/dbraw/zinc/25/19/14/523251914.db2.gz NPEOYMFLZODHCE-CYBMUJFWSA-N 1 1 276.380 2.880 10 0 CFAEMO C[N@H+](Cc1ccccc1)C[C@@](C)(N)c1ccccc1 ZINC000052883216 523343508 /nfs/dbraw/zinc/34/35/08/523343508.db2.gz IQNOEDHYRVWGFG-QGZVFWFLSA-N 1 1 254.377 2.993 10 0 CFAEMO C[N@@H+](Cc1ccccc1)C[C@@](C)(N)c1ccccc1 ZINC000052883216 523343518 /nfs/dbraw/zinc/34/35/18/523343518.db2.gz IQNOEDHYRVWGFG-QGZVFWFLSA-N 1 1 254.377 2.993 10 0 CFAEMO C[N@@H+](Cc1ccncc1)Cc1ccc(Cl)cc1N ZINC000050442926 523460962 /nfs/dbraw/zinc/46/09/62/523460962.db2.gz ARLLGLOBLDTWFB-UHFFFAOYSA-N 1 1 261.756 2.949 10 0 CFAEMO CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1cncs1 ZINC000162916852 523476895 /nfs/dbraw/zinc/47/68/95/523476895.db2.gz QLRGUSAOEAOMFX-CHWSQXEVSA-N 1 1 265.426 2.592 10 0 CFAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1CC[C@H]1CCCCO1 ZINC000300419150 523487517 /nfs/dbraw/zinc/48/75/17/523487517.db2.gz QIXPBXDESGUHDS-OWCLPIDISA-N 1 1 266.429 2.504 10 0 CFAEMO CCn1cc[nH+]c1N(Cc1ccccc1N)C(C)C ZINC000050614417 523547112 /nfs/dbraw/zinc/54/71/12/523547112.db2.gz UYUJAASYAQDBSY-UHFFFAOYSA-N 1 1 258.369 2.900 10 0 CFAEMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ccco1 ZINC000246216887 523788114 /nfs/dbraw/zinc/78/81/14/523788114.db2.gz OYSPVLLEXKMECN-YUTCNCBUSA-N 1 1 263.337 2.586 10 0 CFAEMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccco1 ZINC000246216887 523788120 /nfs/dbraw/zinc/78/81/20/523788120.db2.gz OYSPVLLEXKMECN-YUTCNCBUSA-N 1 1 263.337 2.586 10 0 CFAEMO C[N@H+]1CCC[C@H](CNc2ccc(NC(=O)C3CC3)cc2)C1 ZINC000054240208 523841241 /nfs/dbraw/zinc/84/12/41/523841241.db2.gz XKPVICGACKZQFO-CYBMUJFWSA-N 1 1 287.407 2.789 10 0 CFAEMO CCc1ccc(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1 ZINC000246331325 523982550 /nfs/dbraw/zinc/98/25/50/523982550.db2.gz BKADHMMFRADYJD-CJNGLKHVSA-N 1 1 287.407 2.949 10 0 CFAEMO C[C@@H]1CCCC[C@H]1[N@@H+](C)[C@]1(CN)CCCSC1 ZINC000061590241 524163580 /nfs/dbraw/zinc/16/35/80/524163580.db2.gz LSKZYMIWMUVQRO-MCIONIFRSA-N 1 1 256.459 2.721 10 0 CFAEMO Cc1ccc(C)c(OCC[N@H+]2CCC[C@H]2CCCO)c1 ZINC000052762092 524176730 /nfs/dbraw/zinc/17/67/30/524176730.db2.gz GLRAPGQYVFMPJK-INIZCTEOSA-N 1 1 277.408 2.919 10 0 CFAEMO Cc1cc(C)c(C(=O)[O-])c(N[C@@H](CC(C)C)C[NH+](C)C)[nH+]1 ZINC000049560416 524244604 /nfs/dbraw/zinc/24/46/04/524244604.db2.gz FKCMXCSDMJVIMI-ZDUSSCGKSA-N 1 1 293.411 2.785 10 0 CFAEMO C[C@@H](C(=O)Nc1ccccc1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195506515 524275508 /nfs/dbraw/zinc/27/55/08/524275508.db2.gz VHLWRNZDZGZVOM-ZDUSSCGKSA-N 1 1 298.390 2.616 10 0 CFAEMO C[C@H](C[NH+]1CCCC1)n1c(N)nc2cccc(Cl)c21 ZINC000049185006 524321519 /nfs/dbraw/zinc/32/15/19/524321519.db2.gz BWFKUPNHGKOSJF-SNVBAGLBSA-N 1 1 278.787 2.929 10 0 CFAEMO Cc1cc(C)cc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000155824886 524369241 /nfs/dbraw/zinc/36/92/41/524369241.db2.gz HAXIUJCEUYCBQY-HOCLYGCPSA-N 1 1 274.408 2.762 10 0 CFAEMO Cc1cccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@H]2O)n1 ZINC000253086272 524393146 /nfs/dbraw/zinc/39/31/46/524393146.db2.gz AZFDDVZQCPZPOA-BRWVUGGUSA-N 1 1 274.408 2.906 10 0 CFAEMO Cc1cc(C)cc(NC(=O)c2c[nH+]c(NN)c(Cl)c2)c1 ZINC000051096677 524436726 /nfs/dbraw/zinc/43/67/26/524436726.db2.gz VYPXXSKULLKQMY-UHFFFAOYSA-N 1 1 290.754 2.890 10 0 CFAEMO Cc1ccc(C[N@H+]2CC[C@H](CCO)C2)c(Cl)c1 ZINC000235886962 524469011 /nfs/dbraw/zinc/46/90/11/524469011.db2.gz VPLZZQXTDZRWSG-GFCCVEGCSA-N 1 1 253.773 2.853 10 0 CFAEMO C[C@@H](CCN(C)C)[NH2+]Cc1ccccc1N1CCCC1 ZINC000049554085 524477100 /nfs/dbraw/zinc/47/71/00/524477100.db2.gz RJCPCCUUBIQREI-HNNXBMFYSA-N 1 1 275.440 2.717 10 0 CFAEMO Cc1cccc(N(C)C(=O)c2c[nH+]c(NN)c(Cl)c2)c1 ZINC000051113975 524516769 /nfs/dbraw/zinc/51/67/69/524516769.db2.gz VWXSFUTUSIBFFU-UHFFFAOYSA-N 1 1 290.754 2.606 10 0 CFAEMO Cc1ccc(CNC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000150853142 524533007 /nfs/dbraw/zinc/53/30/07/524533007.db2.gz YUPUBFQDMDMGFP-GOEBONIOSA-N 1 1 289.423 2.523 10 0 CFAEMO C[C@@H](C[NH+]1CCCC1)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000049149480 524591719 /nfs/dbraw/zinc/59/17/19/524591719.db2.gz ICQYPMOQSNOSIN-STQMWFEESA-N 1 1 276.380 2.550 10 0 CFAEMO Cc1ccc(Cc2noc([C@@H]([NH3+])C(C)C)n2)cc1C ZINC000061681098 524698801 /nfs/dbraw/zinc/69/88/01/524698801.db2.gz PGJKPTWNCGCVFS-AWEZNQCLSA-N 1 1 259.353 2.933 10 0 CFAEMO C[C@@H](C[NH2+]C(C)(C)C)CN(C)CCc1ccncc1 ZINC000052483064 524732366 /nfs/dbraw/zinc/73/23/66/524732366.db2.gz SNTOALVKHIHNOC-AWEZNQCLSA-N 1 1 263.429 2.580 10 0 CFAEMO C[C@@H]1C[N@H+](CC(=O)NCCC2CCCCC2)CCS1 ZINC000171690273 524927984 /nfs/dbraw/zinc/92/79/84/524927984.db2.gz YJNJAWWZEPNZJQ-CYBMUJFWSA-N 1 1 284.469 2.510 10 0 CFAEMO C[C@@H]1C[N@@H+](CC(=O)NCCC2CCCCC2)CCS1 ZINC000171690273 524927991 /nfs/dbraw/zinc/92/79/91/524927991.db2.gz YJNJAWWZEPNZJQ-CYBMUJFWSA-N 1 1 284.469 2.510 10 0 CFAEMO C[C@@H](Cc1ccsc1)[NH2+][C@@H](C)[C@@H]1CCCN(C)C1 ZINC000049156022 524939295 /nfs/dbraw/zinc/93/92/95/524939295.db2.gz DTUVGODIKOGNJM-KCQAQPDRSA-N 1 1 266.454 2.999 10 0 CFAEMO Cc1cc(F)ccc1CN[C@H](C)C[NH+]1CCCC1 ZINC000050577491 524977055 /nfs/dbraw/zinc/97/70/55/524977055.db2.gz ZYQHVQSKPIPIGG-CYBMUJFWSA-N 1 1 250.361 2.708 10 0 CFAEMO C[C@@H]([NH3+])c1nnc([C@@H](C)Oc2cccc(Cl)c2)o1 ZINC000051018827 525031953 /nfs/dbraw/zinc/03/19/53/525031953.db2.gz VZZYGFMFENKKEY-HTQZYQBOSA-N 1 1 267.716 2.883 10 0 CFAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1CCc1ccccc1F ZINC000246458875 525089397 /nfs/dbraw/zinc/08/93/97/525089397.db2.gz JHOQNJKBNGXKJR-HIFRSBDPSA-N 1 1 262.372 2.537 10 0 CFAEMO C[C@H]1c2ccsc2CC[N@H+]1Cc1cccnc1N ZINC000052724164 525132762 /nfs/dbraw/zinc/13/27/62/525132762.db2.gz YAEJYVOOZGTTJZ-JTQLQIEISA-N 1 1 259.378 2.845 10 0 CFAEMO C[C@H]1c2ccsc2CC[N@@H+]1Cc1cccnc1N ZINC000052724164 525132767 /nfs/dbraw/zinc/13/27/67/525132767.db2.gz YAEJYVOOZGTTJZ-JTQLQIEISA-N 1 1 259.378 2.845 10 0 CFAEMO COc1ccc([C@@H](CN)[N@@H+]2CCCC[C@@H]2C)cc1C ZINC000050596406 525179287 /nfs/dbraw/zinc/17/92/87/525179287.db2.gz AVEXDFKSDHLSAO-DZGCQCFKSA-N 1 1 262.397 2.878 10 0 CFAEMO COc1ccc([C@@H](CN)[N@H+]2CCCC[C@@H]2C)cc1C ZINC000050596406 525179295 /nfs/dbraw/zinc/17/92/95/525179295.db2.gz AVEXDFKSDHLSAO-DZGCQCFKSA-N 1 1 262.397 2.878 10 0 CFAEMO Cc1ccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c(C)n1 ZINC000246443821 525183525 /nfs/dbraw/zinc/18/35/25/525183525.db2.gz ODJOPEIWNGVVJB-ABAIWWIYSA-N 1 1 290.411 2.549 10 0 CFAEMO C[C@@H]1C[C@@H]1NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000245423866 525326431 /nfs/dbraw/zinc/32/64/31/525326431.db2.gz RLOZDVWZPBYDRL-UHOFOFEASA-N 1 1 290.382 2.705 10 0 CFAEMO C[C@@H]1C[C@@H]1NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000245423866 525326441 /nfs/dbraw/zinc/32/64/41/525326441.db2.gz RLOZDVWZPBYDRL-UHOFOFEASA-N 1 1 290.382 2.705 10 0 CFAEMO COc1ccc([C@H](C)[NH2+][C@@H](C)CN2CCCC2)c(OC)c1 ZINC000049149687 525328880 /nfs/dbraw/zinc/32/88/80/525328880.db2.gz ADYQDIWOKULMNT-KBPBESRZSA-N 1 1 292.423 2.839 10 0 CFAEMO COc1ccc([C@H](C)N[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000049149460 525329833 /nfs/dbraw/zinc/32/98/33/525329833.db2.gz SJIQEELRHCOXDI-KBPBESRZSA-N 1 1 262.397 2.830 10 0 CFAEMO COc1ccc([C@H](C)N[C@H](C[NH+](C)C)C(C)C)c(OC)c1 ZINC000049196482 525335844 /nfs/dbraw/zinc/33/58/44/525335844.db2.gz UHBTUPMOSLKIQO-XJKSGUPXSA-N 1 1 294.439 2.941 10 0 CFAEMO COc1ccc([C@H](CN)[N@@H+](C)CC(C)C)cc1C ZINC000050596573 525351238 /nfs/dbraw/zinc/35/12/38/525351238.db2.gz LRIOANOVGRLVDY-AWEZNQCLSA-N 1 1 250.386 2.591 10 0 CFAEMO COc1ccc([C@H](C[NH3+])N(C)CC(C)C)cc1C ZINC000050596573 525351246 /nfs/dbraw/zinc/35/12/46/525351246.db2.gz LRIOANOVGRLVDY-AWEZNQCLSA-N 1 1 250.386 2.591 10 0 CFAEMO C[C@H](NCc1ccc(F)c(F)c1)[C@H]1CCC[N@@H+](C)C1 ZINC000049577409 525443052 /nfs/dbraw/zinc/44/30/52/525443052.db2.gz DRQVBMIZXDLIMW-AAEUAGOBSA-N 1 1 268.351 2.785 10 0 CFAEMO CSCCC[N@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000173697830 525445739 /nfs/dbraw/zinc/44/57/39/525445739.db2.gz ZHGOCYPYPXBLSA-CYBMUJFWSA-N 1 1 267.442 2.927 10 0 CFAEMO Cc1ccc[nH+]c1N(CCC(N)=S)CC(C)C ZINC000051040783 525533901 /nfs/dbraw/zinc/53/39/01/525533901.db2.gz OLKGNQYXAAWXMM-UHFFFAOYSA-N 1 1 251.399 2.529 10 0 CFAEMO Cc1ccc[nH+]c1NCCc1ccc2c(c1)OCCO2 ZINC000051040866 525545061 /nfs/dbraw/zinc/54/50/61/525545061.db2.gz VAEOKRJGWSTYOW-UHFFFAOYSA-N 1 1 270.332 2.816 10 0 CFAEMO C[C@@H](Nc1ccccc1[C@H](C)O)[C@@H]1CCC[N@@H+](C)C1 ZINC000049542765 525721791 /nfs/dbraw/zinc/72/17/91/525721791.db2.gz UCXYBDQSUNCZLH-HZSPNIEDSA-N 1 1 262.397 2.882 10 0 CFAEMO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)CN2CCCCC2)c(C)c1 ZINC000151313856 525922822 /nfs/dbraw/zinc/92/28/22/525922822.db2.gz SNUYLYJWZRHEJF-DLBZAZTESA-N 1 1 290.451 2.801 10 0 CFAEMO Cc1ccc([C@H](C)[NH2+]C[C@H](O)CN2CCCCC2)c(C)c1 ZINC000151313726 525925960 /nfs/dbraw/zinc/92/59/60/525925960.db2.gz SNUYLYJWZRHEJF-IRXDYDNUSA-N 1 1 290.451 2.801 10 0 CFAEMO C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1CCS[C@@H](C)C1 ZINC000246126473 526041104 /nfs/dbraw/zinc/04/11/04/526041104.db2.gz LVDVDUOXFJZPKT-QWHCGFSZSA-N 1 1 284.469 2.509 10 0 CFAEMO C[C@H](C(=O)NCC1CCCCC1)[N@H+]1CCS[C@@H](C)C1 ZINC000246126473 526041115 /nfs/dbraw/zinc/04/11/15/526041115.db2.gz LVDVDUOXFJZPKT-QWHCGFSZSA-N 1 1 284.469 2.509 10 0 CFAEMO Cc1ccc(C(=O)CCN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000246433733 526044296 /nfs/dbraw/zinc/04/42/96/526044296.db2.gz HDFPBWQFDAYMFK-WBVHZDCISA-N 1 1 286.419 2.736 10 0 CFAEMO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+]1CCC(C)(C)C1 ZINC000076013677 526097768 /nfs/dbraw/zinc/09/77/68/526097768.db2.gz AHNUBSNMWOVCPE-UONOGXRCSA-N 1 1 274.408 2.984 10 0 CFAEMO Cc1ccc2nc(Sc3ccnc(C[NH3+])c3)[nH]c2c1 ZINC000061812418 526103840 /nfs/dbraw/zinc/10/38/40/526103840.db2.gz MGBHJRVGVKXQSZ-UHFFFAOYSA-N 1 1 270.361 2.876 10 0 CFAEMO COc1cccc(Cn2c[nH+]c3cc(N)ccc32)c1 ZINC000052853618 526109527 /nfs/dbraw/zinc/10/95/27/526109527.db2.gz OBYDUTZXJBIYSD-UHFFFAOYSA-N 1 1 253.305 2.675 10 0 CFAEMO Cc1ccc2c(c1)nc(N)n2[C@@H](C)C[NH+]1CCCCC1 ZINC000049502330 526219587 /nfs/dbraw/zinc/21/95/87/526219587.db2.gz OPFFEPTZFXTHSV-ZDUSSCGKSA-N 1 1 272.396 2.974 10 0 CFAEMO C[C@H]1CC(CC[NH+]2CCN(CC(C)(C)O)CC2)C[C@H](C)C1 ZINC000151004385 526223601 /nfs/dbraw/zinc/22/36/01/526223601.db2.gz TWBNFQDCSFTDGV-HZPDHXFCSA-N 1 1 296.499 2.837 10 0 CFAEMO Cc1cc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)c(C)n1C(C)C ZINC000195312567 526254460 /nfs/dbraw/zinc/25/44/60/526254460.db2.gz MJFCTXNZGKSDTM-HNNXBMFYSA-N 1 1 289.423 2.606 10 0 CFAEMO Cc1csc([C@@H]2C[N@H+](CCC(C)C)CCO2)n1 ZINC000195385763 526423501 /nfs/dbraw/zinc/42/35/01/526423501.db2.gz ZIGIAQGRLRFWAR-LBPRGKRZSA-N 1 1 254.399 2.871 10 0 CFAEMO Cc1csc([C@@H]2C[N@@H+](CCC(C)C)CCO2)n1 ZINC000195385763 526423508 /nfs/dbraw/zinc/42/35/08/526423508.db2.gz ZIGIAQGRLRFWAR-LBPRGKRZSA-N 1 1 254.399 2.871 10 0 CFAEMO c1c2[nH]c(CC[C@@H]3CCCCO3)[nH+]c2cc2c1OCCO2 ZINC000069397808 526403809 /nfs/dbraw/zinc/40/38/09/526403809.db2.gz XXNQXJADWWLWON-NSHDSACASA-N 1 1 288.347 2.836 10 0 CFAEMO O=C(CCCc1ccccc1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195057107 526457369 /nfs/dbraw/zinc/45/73/69/526457369.db2.gz DFVBHEHODVNNRW-QGZVFWFLSA-N 1 1 286.419 2.706 10 0 CFAEMO O=C([C@H]1C[C@@H]1C1CCCCC1)N1CC[NH+](C2CC2)CC1 ZINC000162057644 526561153 /nfs/dbraw/zinc/56/11/53/526561153.db2.gz WUARTQCLZBTBCM-CVEARBPZSA-N 1 1 276.424 2.509 10 0 CFAEMO O=C(CCc1ccc(Cl)s1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000195334411 526586121 /nfs/dbraw/zinc/58/61/21/526586121.db2.gz IETWNISHFYZPLN-LLVKDONJSA-N 1 1 298.839 2.641 10 0 CFAEMO O=C(c1ccc(Cl)cc1Cl)N1CC[N@H+]2CCC[C@H]2C1 ZINC000049515916 526678067 /nfs/dbraw/zinc/67/80/67/526678067.db2.gz XYVAAIPKJHBPGA-NSHDSACASA-N 1 1 299.201 2.914 10 0 CFAEMO Cc1nc(C[C@@H]2CCC[N@@H+](CC3CCCC3)C2)no1 ZINC000170778961 526920598 /nfs/dbraw/zinc/92/05/98/526920598.db2.gz RBWAVFCSYZQTLD-AWEZNQCLSA-N 1 1 263.385 2.823 10 0 CFAEMO Cc1nc(C[C@H]2CCC[N@H+]([C@@H]3C=CCCC3)C2)no1 ZINC000246270836 526923102 /nfs/dbraw/zinc/92/31/02/526923102.db2.gz QOICKJPIQFHBLG-ZIAGYGMSSA-N 1 1 261.369 2.741 10 0 CFAEMO Clc1nsnc1O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061702200 527011993 /nfs/dbraw/zinc/01/19/93/527011993.db2.gz DUYLQXUXBRUGLK-NSHDSACASA-N 1 1 295.795 2.845 10 0 CFAEMO Clc1nsnc1O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000061702200 527011999 /nfs/dbraw/zinc/01/19/99/527011999.db2.gz DUYLQXUXBRUGLK-NSHDSACASA-N 1 1 295.795 2.845 10 0 CFAEMO Cc1nc([C@H](C)[NH2+][C@@H](CN(C)C)C(C)C)c(C)s1 ZINC000049197341 527065874 /nfs/dbraw/zinc/06/58/74/527065874.db2.gz DWXBBNMCZJZWSN-GWCFXTLKSA-N 1 1 269.458 2.997 10 0 CFAEMO NNc1[nH+]c(C(=O)NC2CCCCC2)cc2ccccc21 ZINC000051093723 527285566 /nfs/dbraw/zinc/28/55/66/527285566.db2.gz UAZNWHCZWWICPG-UHFFFAOYSA-N 1 1 284.363 2.583 10 0 CFAEMO NNc1[nH+]cc(C(=O)Nc2ccc(F)cc2F)cc1Cl ZINC000051096664 527286978 /nfs/dbraw/zinc/28/69/78/527286978.db2.gz YKQUJIGYEGWBMK-UHFFFAOYSA-N 1 1 298.680 2.551 10 0 CFAEMO Cc1nccc(NC[C@H]2CCCC[N@H+]2Cc2ccccc2)n1 ZINC000360519835 527325413 /nfs/dbraw/zinc/32/54/13/527325413.db2.gz DXZRIMQWGRJUJU-QGZVFWFLSA-N 1 1 296.418 2.674 10 0 CFAEMO [NH3+][C@H](Cc1ccccc1)c1nc(Cc2cccs2)no1 ZINC000052899649 527389553 /nfs/dbraw/zinc/38/95/53/527389553.db2.gz IIAZRWBGSZLHHW-CYBMUJFWSA-N 1 1 285.372 2.964 10 0 CFAEMO [NH3+][C@H](c1nc(-c2cccs2)n[nH]1)c1ccccc1 ZINC000054700184 527392671 /nfs/dbraw/zinc/39/26/71/527392671.db2.gz YGNXZJYBQNBXFH-NSHDSACASA-N 1 1 256.334 2.581 10 0 CFAEMO Cc1[nH+]ccn1CCOc1ccc(C)cc1[C@H](C)O ZINC000049330930 527433823 /nfs/dbraw/zinc/43/38/23/527433823.db2.gz QTGJSHNJKZSFAN-LBPRGKRZSA-N 1 1 260.337 2.632 10 0 CFAEMO Cc1[nH+]ccn1CCOc1ccc(N)cc1Cl ZINC000049329258 527434369 /nfs/dbraw/zinc/43/43/69/527434369.db2.gz ZMWNAFZVSOSVBX-UHFFFAOYSA-N 1 1 251.717 2.506 10 0 CFAEMO Nc1cc(Cl)ccc1C[N@@H+](CCO)C1CCCC1 ZINC000050443163 527451686 /nfs/dbraw/zinc/45/16/86/527451686.db2.gz DVVLZWRVNVQAEV-UHFFFAOYSA-N 1 1 268.788 2.659 10 0 CFAEMO OCC1(C[N@@H+](Cc2cccs2)C2CC2)CCOCC1 ZINC000052199881 527522337 /nfs/dbraw/zinc/52/23/37/527522337.db2.gz DLTDTFDBKKMCLT-UHFFFAOYSA-N 1 1 281.421 2.502 10 0 CFAEMO OCC1(C[N@@H+](Cc2ccsc2)C2CC2)CCOCC1 ZINC000052199674 527522510 /nfs/dbraw/zinc/52/25/10/527522510.db2.gz DUUCXUWPTKLVMB-UHFFFAOYSA-N 1 1 281.421 2.502 10 0 CFAEMO OCCC[C@@H]1CCC[N@H+]1Cc1nc(-c2ccsc2)no1 ZINC000052762728 527544598 /nfs/dbraw/zinc/54/45/98/527544598.db2.gz AFHIHUSDFORLNW-LBPRGKRZSA-N 1 1 293.392 2.535 10 0 CFAEMO OCCC[C@H]1CCC[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000052762434 527546897 /nfs/dbraw/zinc/54/68/97/527546897.db2.gz KYHXVDYUPNOHBX-MRXNPFEDSA-N 1 1 285.391 2.609 10 0 CFAEMO OCC[C@H]1CC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000227573312 527571317 /nfs/dbraw/zinc/57/13/17/527571317.db2.gz SJSBYOBDVBZKET-CYBMUJFWSA-N 1 1 272.348 2.546 10 0 CFAEMO OCC[C@H]1CC[N@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000227574018 527572409 /nfs/dbraw/zinc/57/24/09/527572409.db2.gz LJZZTWQRAMUWIP-LLVKDONJSA-N 1 1 278.377 2.607 10 0 CFAEMO OCC[C@H]1CC[N@@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000227574018 527572411 /nfs/dbraw/zinc/57/24/11/527572411.db2.gz LJZZTWQRAMUWIP-LLVKDONJSA-N 1 1 278.377 2.607 10 0 CFAEMO CC[N@@H+]1CC[C@@H](NCc2cscc2C(F)(F)F)C1 ZINC000414550895 527804778 /nfs/dbraw/zinc/80/47/78/527804778.db2.gz NZDVEVKIHJYTNK-SNVBAGLBSA-N 1 1 278.343 2.951 10 0 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ZINC000086836127 179350712 /nfs/dbraw/zinc/35/07/12/179350712.db2.gz CIOLMBIAGHOVJQ-HOCLYGCPSA-N 1 1 261.413 2.997 10 0 CFAEMO CC[N@H+]1CCC[C@H](NCc2cc(F)ccc2F)CC1 ZINC000086845080 179354593 /nfs/dbraw/zinc/35/45/93/179354593.db2.gz YEJKUNXNWZDTAO-AWEZNQCLSA-N 1 1 268.351 2.929 10 0 CFAEMO CCC[N@H+]1CCC[C@@](O)(c2ccc(OC)cc2OC)CC1 ZINC000086852794 179359557 /nfs/dbraw/zinc/35/95/57/179359557.db2.gz OWBYHLQRRFUPHK-KRWDZBQOSA-N 1 1 293.407 2.787 10 0 CFAEMO CCC[N@H+]1CCC[C@H]([NH+]2CCC(CCC(=O)[O-])CC2)CC1 ZINC000086868879 179361794 /nfs/dbraw/zinc/36/17/94/179361794.db2.gz DKCHICOMYGOAHH-INIZCTEOSA-N 1 1 296.455 2.828 10 0 CFAEMO CC[N@H+]1CCC[C@@H]([NH+]2CCCC[C@@H]2CCC(=O)[O-])CC1 ZINC000086868865 179361839 /nfs/dbraw/zinc/36/18/39/179361839.db2.gz CVPWXJBSSLDJTJ-HUUCEWRRSA-N 1 1 282.428 2.580 10 0 CFAEMO CC[NH+]1CCC[C@@H]([N@@H+]2CCCC[C@@H]2CCC(=O)[O-])CC1 ZINC000086868865 179361841 /nfs/dbraw/zinc/36/18/41/179361841.db2.gz CVPWXJBSSLDJTJ-HUUCEWRRSA-N 1 1 282.428 2.580 10 0 CFAEMO CC[NH+]1CCC[C@@H]([N@H+]2CCCC[C@@H]2CCC(=O)[O-])CC1 ZINC000086868865 179361842 /nfs/dbraw/zinc/36/18/42/179361842.db2.gz CVPWXJBSSLDJTJ-HUUCEWRRSA-N 1 1 282.428 2.580 10 0 CFAEMO CCC[C@]1(C(=O)[O-])CC[N@H+]([C@@H]2CCC[NH+](C(C)C)CC2)C1 ZINC000086869127 179362108 /nfs/dbraw/zinc/36/21/08/179362108.db2.gz YSQUCSHGXHUJTM-WBVHZDCISA-N 1 1 296.455 2.826 10 0 CFAEMO CCC[C@]1(C(=O)[O-])CC[NH+]([C@@H]2CCC[N@@H+](C(C)C)CC2)C1 ZINC000086869127 179362109 /nfs/dbraw/zinc/36/21/09/179362109.db2.gz YSQUCSHGXHUJTM-WBVHZDCISA-N 1 1 296.455 2.826 10 0 CFAEMO CCC[C@]1(C(=O)[O-])CC[NH+]([C@@H]2CCC[N@H+](C(C)C)CC2)C1 ZINC000086869127 179362111 /nfs/dbraw/zinc/36/21/11/179362111.db2.gz YSQUCSHGXHUJTM-WBVHZDCISA-N 1 1 296.455 2.826 10 0 CFAEMO [NH3+][C@@H](CF)c1c(F)ccc(Br)c1F ZINC000238571812 348247757 /nfs/dbraw/zinc/24/77/57/348247757.db2.gz GBZJJUGREXYHDD-LURJTMIESA-N 1 1 254.049 2.697 10 0 CFAEMO COC(=O)[C@@H]1CCCC[N@H+]1C[C@@H](C)c1ccc(OC)cc1 ZINC000245861869 348258216 /nfs/dbraw/zinc/25/82/16/348258216.db2.gz PBSHTELXEDZOHV-CJNGLKHVSA-N 1 1 291.391 2.826 10 0 CFAEMO Cn1cc([C@H]2CC[N@@H+](C/C=C\c3ccccc3)C2)cn1 ZINC000254943544 348302509 /nfs/dbraw/zinc/30/25/09/348302509.db2.gz ZQPBDTKUAFAUJN-SBSDFTTDSA-N 1 1 267.376 2.923 10 0 CFAEMO CCCC[N@@H+](CCO)[C@@H](C)c1cnn(CC2CCC2)c1 ZINC000725264332 539621700 /nfs/dbraw/zinc/62/17/00/539621700.db2.gz HSCGFSXZVVLLSJ-AWEZNQCLSA-N 1 1 279.428 2.839 10 0 CFAEMO C[C@H]1C[C@]2(C[N@H+]1Cc1ccccc1)NC[C@@H](C)CS2 ZINC000306281857 348386016 /nfs/dbraw/zinc/38/60/16/348386016.db2.gz YFGLDJKQEJNLGV-YCPHGPKFSA-N 1 1 276.449 2.950 10 0 CFAEMO C[C@H]1C[C@]2(CN1Cc1ccccc1)[NH2+]C[C@@H](C)CS2 ZINC000306281857 348386019 /nfs/dbraw/zinc/38/60/19/348386019.db2.gz YFGLDJKQEJNLGV-YCPHGPKFSA-N 1 1 276.449 2.950 10 0 CFAEMO [NH3+][C@H](c1coc(Br)c1)c1ccns1 ZINC000306775748 348392465 /nfs/dbraw/zinc/39/24/65/348392465.db2.gz MGADXWBLFIZNPS-MRVPVSSYSA-N 1 1 259.128 2.547 10 0 CFAEMO Cc1nnc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)s1 ZINC000306995336 348394606 /nfs/dbraw/zinc/39/46/06/348394606.db2.gz QALTUXFFXPMZPY-SMDDNHRTSA-N 1 1 288.420 2.921 10 0 CFAEMO C[C@@H]1CSC(N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)=N1 ZINC000307163932 348396846 /nfs/dbraw/zinc/39/68/46/348396846.db2.gz JCXDEZZGZOGIMD-IPYPFGDCSA-N 1 1 289.448 2.730 10 0 CFAEMO C[C@@H]1CSC(N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)=N1 ZINC000307163932 348396847 /nfs/dbraw/zinc/39/68/47/348396847.db2.gz JCXDEZZGZOGIMD-IPYPFGDCSA-N 1 1 289.448 2.730 10 0 CFAEMO [NH3+]Cc1ncc(-c2cscc2Br)o1 ZINC000404739762 348594290 /nfs/dbraw/zinc/59/42/90/348594290.db2.gz OHFIDHTXIBTGPI-UHFFFAOYSA-N 1 1 259.128 2.624 10 0 CFAEMO C[N@@H+](CCO)C[C@H]1CCCc2ccc(Cl)cc21 ZINC000584603234 348686497 /nfs/dbraw/zinc/68/64/97/348686497.db2.gz RYHRYQVHGMAJQJ-GFCCVEGCSA-N 1 1 253.773 2.684 10 0 CFAEMO C[C@H]1CC2(CC[NH+](CCCN(C)C)CC2)C[C@H](C)O1 ZINC000584631613 348696178 /nfs/dbraw/zinc/69/61/78/348696178.db2.gz DBFNBLOPCODDKF-GJZGRUSLSA-N 1 1 268.445 2.608 10 0 CFAEMO O=C1Nc2ccccc2[C@]2(CC[N@@H+](Cc3ccccc3)C2)N1 ZINC000584648565 348701311 /nfs/dbraw/zinc/70/13/11/348701311.db2.gz KXTKBSSBRXOABW-GOSISDBHSA-N 1 1 293.370 2.923 10 0 CFAEMO CC(=O)N1CC[C@@H](C)[C@@H]([N@H+](C)[C@@H](C)c2ccccc2)C1 ZINC000584653695 348702581 /nfs/dbraw/zinc/70/25/81/348702581.db2.gz JOUDBUKAUKDSGW-KEYYUXOJSA-N 1 1 274.408 2.936 10 0 CFAEMO Cc1nnc([C@H](C)Nc2[nH]c3ccccc3[nH+]2)s1 ZINC000273486184 192169589 /nfs/dbraw/zinc/16/95/89/192169589.db2.gz LIVXIYJALZOIEF-ZETCQYMHSA-N 1 1 259.338 2.896 10 0 CFAEMO Cc1ncsc1C[N@H+](C)C[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000104436029 186001787 /nfs/dbraw/zinc/00/17/87/186001787.db2.gz PRRLHYGNUYKLIX-WXHSDQCUSA-N 1 1 268.426 2.680 10 0 CFAEMO Cc1nc2c([nH]1)CC[C@@H](C(=O)N[C@H]1CCCC[C@@H]1C)C2 ZINC000220585178 539752963 /nfs/dbraw/zinc/75/29/63/539752963.db2.gz FNFCUERKZGZLOU-UHTWSYAYSA-N 1 1 275.396 2.518 10 0 CFAEMO O=C(Nc1cccc2[nH]ccc21)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105028815 186038774 /nfs/dbraw/zinc/03/87/74/186038774.db2.gz GYMPDNYSSHUIGJ-CYBMUJFWSA-N 1 1 298.390 2.870 10 0 CFAEMO C[C@H](c1ccccc1)[N@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869275 186080978 /nfs/dbraw/zinc/08/09/78/186080978.db2.gz HJVXNSADURWUHA-MRXNPFEDSA-N 1 1 298.434 2.689 10 0 CFAEMO Cc1[nH]c(-c2ccc(Br)cc2)c(N)[nH+]1 ZINC000105885541 186082571 /nfs/dbraw/zinc/08/25/71/186082571.db2.gz YYOUKZOCSSDXCF-UHFFFAOYSA-N 1 1 252.115 2.730 10 0 CFAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2ccc(C)nc2)C1 ZINC000105852033 186078464 /nfs/dbraw/zinc/07/84/64/186078464.db2.gz QUCVDDQZGXPLCL-OAHLLOKOSA-N 1 1 298.390 2.626 10 0 CFAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2ccc(C)o2)C1 ZINC000105851554 186079088 /nfs/dbraw/zinc/07/90/88/186079088.db2.gz AJIFXWBVPZQZFK-CYBMUJFWSA-N 1 1 287.363 2.824 10 0 CFAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000105852019 186079139 /nfs/dbraw/zinc/07/91/39/186079139.db2.gz OJOXZDDQWPGXGQ-GFCCVEGCSA-N 1 1 263.385 2.655 10 0 CFAEMO Cc1cnn([C@@H]2CCC[N@@H+](C[C@](C)(O)c3ccccc3)C2)c1 ZINC000105901738 186088395 /nfs/dbraw/zinc/08/83/95/186088395.db2.gz UEKKENQUYUSGOX-MSOLQXFVSA-N 1 1 299.418 2.736 10 0 CFAEMO CCc1nccn1[C@@H]1CCC[N@@H+](CCCCCOC)C1 ZINC000105922478 186091587 /nfs/dbraw/zinc/09/15/87/186091587.db2.gz HRBYGUTZALMZIM-OAHLLOKOSA-N 1 1 279.428 2.899 10 0 CFAEMO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)Nc1cccc(F)c1 ZINC000106424405 186116356 /nfs/dbraw/zinc/11/63/56/186116356.db2.gz SGAGIAZJPUAXNZ-INIZCTEOSA-N 1 1 286.350 2.937 10 0 CFAEMO Cc1ccc(O)c(NC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000106910355 186149517 /nfs/dbraw/zinc/14/95/17/186149517.db2.gz BTUCQWYOIQXCDC-MRXNPFEDSA-N 1 1 298.386 2.812 10 0 CFAEMO c1cc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)cc2c1OCC2 ZINC000109833987 186276999 /nfs/dbraw/zinc/27/69/99/186276999.db2.gz JPRMCRYZTFWVIR-RDJZCZTQSA-N 1 1 273.376 2.765 10 0 CFAEMO CC(C)C[N@@H+](C[C@H](O)CN(C)Cc1ccccc1)C(C)C ZINC000601063027 350656813 /nfs/dbraw/zinc/65/68/13/350656813.db2.gz LMUXLKFWDCMCOR-GOSISDBHSA-N 1 1 292.467 2.846 10 0 CFAEMO CC[N@H+]1C[C@H](C)[C@H](Nc2ccc(Br)cn2)C1 ZINC000309665076 539805147 /nfs/dbraw/zinc/80/51/47/539805147.db2.gz SXORYTQFWHHJOK-GXSJLCMTSA-N 1 1 284.201 2.596 10 0 CFAEMO Cc1cnn([C@H]2CCC[N@@H+](Cc3ccc4c(c3)CCO4)C2)c1 ZINC000111229531 186371401 /nfs/dbraw/zinc/37/14/01/186371401.db2.gz IIGGMKASEDHGBG-KRWDZBQOSA-N 1 1 297.402 2.964 10 0 CFAEMO CC[C@](C)(O)C[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000123253273 187080958 /nfs/dbraw/zinc/08/09/58/187080958.db2.gz VWQAIVJBCICQBC-INIZCTEOSA-N 1 1 261.365 2.642 10 0 CFAEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1ccc(COC)cc1 ZINC000123395661 187089289 /nfs/dbraw/zinc/08/92/89/187089289.db2.gz OUPBYLZFSDPQFK-QGZVFWFLSA-N 1 1 276.424 2.749 10 0 CFAEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1c(F)cccc1F ZINC000123451378 187092647 /nfs/dbraw/zinc/09/26/47/187092647.db2.gz HHHWLOBKFXXKJC-LBPRGKRZSA-N 1 1 268.351 2.881 10 0 CFAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cccn1C(C)C ZINC000123466298 187093925 /nfs/dbraw/zinc/09/39/25/187093925.db2.gz ABTDHKLGFDKJEE-CQSZACIVSA-N 1 1 277.412 2.625 10 0 CFAEMO CCN1CC[C@H](c2ccc(N)[nH+]c2)c2ccccc21 ZINC000616588396 352376094 /nfs/dbraw/zinc/37/60/94/352376094.db2.gz AEKSUILTTCYQOB-CYBMUJFWSA-N 1 1 253.349 2.856 10 0 CFAEMO CCOC(=O)c1ccccc1[C@H]1C[N@@H+](CC)CCCO1 ZINC000616653386 352400228 /nfs/dbraw/zinc/40/02/28/352400228.db2.gz NPBJUSQYZOMSDG-OAHLLOKOSA-N 1 1 277.364 2.647 10 0 CFAEMO CC(C)[N@H+]1CCN[C@@H](c2cncc3ccccc32)C1 ZINC000616602172 352380364 /nfs/dbraw/zinc/38/03/64/352380364.db2.gz YDKDFCZEXLHXPE-MRXNPFEDSA-N 1 1 255.365 2.590 10 0 CFAEMO CC(C)N1CC[NH2+][C@@H](c2cncc3ccccc32)C1 ZINC000616602172 352380367 /nfs/dbraw/zinc/38/03/67/352380367.db2.gz YDKDFCZEXLHXPE-MRXNPFEDSA-N 1 1 255.365 2.590 10 0 CFAEMO CC(C)[N@@H+]1CCNC[C@H]1c1cccc2ccncc21 ZINC000616603177 352381128 /nfs/dbraw/zinc/38/11/28/352381128.db2.gz GAKWICWHQMAWFE-INIZCTEOSA-N 1 1 255.365 2.590 10 0 CFAEMO CC(C)[N@H+]1CCNC[C@H]1c1cccc2ccncc21 ZINC000616603177 352381131 /nfs/dbraw/zinc/38/11/31/352381131.db2.gz GAKWICWHQMAWFE-INIZCTEOSA-N 1 1 255.365 2.590 10 0 CFAEMO OCC[N@H+]1CCCC[C@H](c2cncc3ccccc32)C1 ZINC000616603013 352381200 /nfs/dbraw/zinc/38/12/00/352381200.db2.gz ALKRBTKBUPYTFK-HNNXBMFYSA-N 1 1 270.376 2.797 10 0 CFAEMO OCc1cccc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000616603436 352381594 /nfs/dbraw/zinc/38/15/94/352381594.db2.gz ORIOMKPJMUOPPH-SFHVURJKSA-N 1 1 283.371 2.752 10 0 CFAEMO OCc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000616603436 352381599 /nfs/dbraw/zinc/38/15/99/352381599.db2.gz ORIOMKPJMUOPPH-SFHVURJKSA-N 1 1 283.371 2.752 10 0 CFAEMO Nc1cc([C@H]2CCC[N@H+]2Cc2ccccc2)ccn1 ZINC000616607186 352383237 /nfs/dbraw/zinc/38/32/37/352383237.db2.gz JVOCGOOZLZSVMS-OAHLLOKOSA-N 1 1 253.349 2.831 10 0 CFAEMO NCC[N@@H+]1CCCC[C@H]1c1cccc2ncccc21 ZINC000616615740 352385515 /nfs/dbraw/zinc/38/55/15/352385515.db2.gz AHWRNITYDAFCBZ-INIZCTEOSA-N 1 1 255.365 2.721 10 0 CFAEMO NCC[N@H+]1CCCC[C@H]1c1cccc2ncccc21 ZINC000616615740 352385518 /nfs/dbraw/zinc/38/55/18/352385518.db2.gz AHWRNITYDAFCBZ-INIZCTEOSA-N 1 1 255.365 2.721 10 0 CFAEMO OCC[N@H+]1CCCC[C@H]1c1cncc2ccccc21 ZINC000616616096 352385691 /nfs/dbraw/zinc/38/56/91/352385691.db2.gz GIXPHOHHTMMBPQ-INIZCTEOSA-N 1 1 256.349 2.754 10 0 CFAEMO Nc1n[nH]cc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000616616897 352386378 /nfs/dbraw/zinc/38/63/78/352386378.db2.gz XEPJAXSOFAYGGI-AWEZNQCLSA-N 1 1 256.353 2.549 10 0 CFAEMO Nc1cc([C@@H]2CCCC[N@H+]2Cc2ccccc2)[nH]n1 ZINC000616616843 352386451 /nfs/dbraw/zinc/38/64/51/352386451.db2.gz UEEKQUYDQUVMLM-AWEZNQCLSA-N 1 1 256.353 2.549 10 0 CFAEMO OCC[N@H+]1CCCC[C@H](c2ccc3cnccc3c2)C1 ZINC000616630060 352391426 /nfs/dbraw/zinc/39/14/26/352391426.db2.gz YFGYOWNSTXYRHC-KRWDZBQOSA-N 1 1 270.376 2.797 10 0 CFAEMO NCC[N@@H+]1CCCC[C@@H](c2ccc3ccccc3n2)C1 ZINC000616629602 352391555 /nfs/dbraw/zinc/39/15/55/352391555.db2.gz OAYHULRIHPSJFZ-OAHLLOKOSA-N 1 1 269.392 2.763 10 0 CFAEMO NCC[N@H+]1CCCC[C@@H](c2ccc3ccccc3n2)C1 ZINC000616629602 352391557 /nfs/dbraw/zinc/39/15/57/352391557.db2.gz OAYHULRIHPSJFZ-OAHLLOKOSA-N 1 1 269.392 2.763 10 0 CFAEMO CC(C)(C)[N@H+]1CCOCC[C@@H]1c1ccc(CCO)cc1 ZINC000616656649 352400872 /nfs/dbraw/zinc/40/08/72/352400872.db2.gz WUZOICCMZZHJQJ-MRXNPFEDSA-N 1 1 277.408 2.783 10 0 CFAEMO CN(C(=O)OC(C)(C)C)c1ccccc1[C@H]1COCC[NH2+]1 ZINC000616639406 352395375 /nfs/dbraw/zinc/39/53/75/352395375.db2.gz WDAYFSYCQDYOHX-CYBMUJFWSA-N 1 1 292.379 2.719 10 0 CFAEMO CC(C)(C)[N@@H+]1CCNC[C@@H]1c1ccc2ccccc2n1 ZINC000616637284 352395590 /nfs/dbraw/zinc/39/55/90/352395590.db2.gz IXEFXMQZGAKSKM-MRXNPFEDSA-N 1 1 269.392 2.980 10 0 CFAEMO CC(C)(C)[N@H+]1CCNC[C@@H]1c1ccc2ccccc2n1 ZINC000616637284 352395592 /nfs/dbraw/zinc/39/55/92/352395592.db2.gz IXEFXMQZGAKSKM-MRXNPFEDSA-N 1 1 269.392 2.980 10 0 CFAEMO CC(C)(C)[N@@H+]1CCO[C@H](c2cc3ccccc3nn2)C1 ZINC000616648094 352397582 /nfs/dbraw/zinc/39/75/82/352397582.db2.gz PCJWADDEGYGBQK-HNNXBMFYSA-N 1 1 271.364 2.802 10 0 CFAEMO CC(C)(C)[N@H+]1CCO[C@H](c2cc3ccccc3nn2)C1 ZINC000616648094 352397586 /nfs/dbraw/zinc/39/75/86/352397586.db2.gz PCJWADDEGYGBQK-HNNXBMFYSA-N 1 1 271.364 2.802 10 0 CFAEMO COc1cccc(C[N@H+]2CCC[C@@H]2Cn2ccnc2)c1 ZINC000136080005 539878943 /nfs/dbraw/zinc/87/89/43/539878943.db2.gz LHOKFORHNDMXMJ-OAHLLOKOSA-N 1 1 271.364 2.556 10 0 CFAEMO OCC[N@H+]1CCc2ccccc2[C@H]1c1ccccc1F ZINC000616678375 352409120 /nfs/dbraw/zinc/40/91/20/352409120.db2.gz HBRDXVUGEQWRHB-KRWDZBQOSA-N 1 1 271.335 2.766 10 0 CFAEMO C[N@H+]1CCc2ccccc2[C@H]1CNC(=O)OC(C)(C)C ZINC000616678705 352409360 /nfs/dbraw/zinc/40/93/60/352409360.db2.gz CLHPQMMNQVLBKT-CQSZACIVSA-N 1 1 276.380 2.740 10 0 CFAEMO COc1ccccc1[C@@H]1c2ccccc2CC[N@@H+]1CCO ZINC000616678958 352410180 /nfs/dbraw/zinc/41/01/80/352410180.db2.gz QCZLIRMLRKJASA-SFHVURJKSA-N 1 1 283.371 2.635 10 0 CFAEMO c1ncc([C@@H]2CC[N@@H+](Cc3ccccc3)CCO2)o1 ZINC000616664697 352404021 /nfs/dbraw/zinc/40/40/21/352404021.db2.gz SPLGEGWOVVFKGD-AWEZNQCLSA-N 1 1 258.321 2.638 10 0 CFAEMO CC[N@H+]1CCOC[C@H](c2ccc3ccccc3n2)C1 ZINC000616662036 352404064 /nfs/dbraw/zinc/40/40/64/352404064.db2.gz ZFKZUPVYZYZEQT-CQSZACIVSA-N 1 1 256.349 2.671 10 0 CFAEMO Fc1ccc(C[N@H+]2CCC[C@@H]2Cn2ccnc2)cc1 ZINC000136081446 539878717 /nfs/dbraw/zinc/87/87/17/539878717.db2.gz FEGKLAPWQXSWHI-OAHLLOKOSA-N 1 1 259.328 2.687 10 0 CFAEMO COc1c(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)c(C)nn1C ZINC000155093942 188182161 /nfs/dbraw/zinc/18/21/61/188182161.db2.gz JKVPPWYCORPADJ-INIZCTEOSA-N 1 1 299.418 2.802 10 0 CFAEMO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(O)c(Cl)c2)[C@@H](C)C1 ZINC000155426392 188205943 /nfs/dbraw/zinc/20/59/43/188205943.db2.gz BAOKPQNSJBZWAM-GWCFXTLKSA-N 1 1 296.798 2.504 10 0 CFAEMO CC(C)[N@@H+]1C[C@H](NC(=O)c2ccc(O)c(Cl)c2)[C@@H](C)C1 ZINC000155426392 188205944 /nfs/dbraw/zinc/20/59/44/188205944.db2.gz BAOKPQNSJBZWAM-GWCFXTLKSA-N 1 1 296.798 2.504 10 0 CFAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccnc3ccccc32)C1 ZINC000155746234 188224863 /nfs/dbraw/zinc/22/48/63/188224863.db2.gz HLJCGFALNLCFNO-DYVFJYSZSA-N 1 1 297.402 2.693 10 0 CFAEMO Cc1cccc(N2CCC[C@H]2CNC(=O)OC(C)(C)C)[nH+]1 ZINC000157779036 188338448 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CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]3CC[C@H](C)O3)c2C1 ZINC000151924103 394266627 /nfs/dbraw/zinc/26/66/27/394266627.db2.gz ZIDCBTYAEIBDCB-LRDDRELGSA-N 1 1 288.391 2.918 10 0 CFAEMO Cn1cc([C@@H]2CC[N@@H+](CCc3ccc(F)c(F)c3)C2)cn1 ZINC000152094676 394270142 /nfs/dbraw/zinc/27/01/42/394270142.db2.gz ZTFOAKHMAPJOMH-CYBMUJFWSA-N 1 1 291.345 2.730 10 0 CFAEMO CCC(CC)C[N@H+]1CCCN(Cc2cnn(CC)c2)CC1 ZINC000153911985 394294536 /nfs/dbraw/zinc/29/45/36/394294536.db2.gz FNXOIAJKTVCGGJ-UHFFFAOYSA-N 1 1 292.471 2.847 10 0 CFAEMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000155170391 394311436 /nfs/dbraw/zinc/31/14/36/394311436.db2.gz NPSNTYSHKQBPCY-OCVGTWLNSA-N 1 1 278.440 2.754 10 0 CFAEMO Cc1cc(N2CC[N@H+]3CCC[C@@H]3C2)c2ccccc2[nH+]1 ZINC000171939353 394372751 /nfs/dbraw/zinc/37/27/51/394372751.db2.gz NYRGVYGVMDASQD-CQSZACIVSA-N 1 1 267.376 2.828 10 0 CFAEMO CCC[C@H]1[C@H](C)CCC[N@H+]1Cc1nnnn1C(C)C ZINC000173707144 394376612 /nfs/dbraw/zinc/37/66/12/394376612.db2.gz WGROZQIOJNFPAQ-OLZOCXBDSA-N 1 1 265.405 2.655 10 0 CFAEMO Cc1cccc(NC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)c1O ZINC000174965443 542991217 /nfs/dbraw/zinc/99/12/17/542991217.db2.gz LZCXKAYRLJQKOO-MRXNPFEDSA-N 1 1 298.386 2.812 10 0 CFAEMO Fc1cccc(C[N@H+]2CCC[C@@H]2Cn2ccnc2)c1 ZINC000177101230 542998153 /nfs/dbraw/zinc/99/81/53/542998153.db2.gz SYAUBSUNKAEXFP-OAHLLOKOSA-N 1 1 259.328 2.687 10 0 CFAEMO CCC[C@@H](C[N@H+]1CCC[C@@H]1C(=O)NC)c1ccccc1 ZINC000179786915 543008214 /nfs/dbraw/zinc/00/82/14/543008214.db2.gz HQUHOXWZRNFQOD-JKSUJKDBSA-N 1 1 274.408 2.781 10 0 CFAEMO CC[C@@H](O)C[N@@H+](CCCOC)Cc1cccc(C)c1 ZINC000036100521 543016028 /nfs/dbraw/zinc/01/60/28/543016028.db2.gz CFTDJLTUGPXIOE-MRXNPFEDSA-N 1 1 265.397 2.604 10 0 CFAEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC1(C)CCC1 ZINC000181054766 543018324 /nfs/dbraw/zinc/01/83/24/543018324.db2.gz CMMHWCITFJAUSS-AWEZNQCLSA-N 1 1 289.423 2.749 10 0 CFAEMO CCc1cnc(Cn2c[nH+]c3c2C[C@H](C)[C@H](C)C3)o1 ZINC000649601341 395536543 /nfs/dbraw/zinc/53/65/43/395536543.db2.gz ZQLQEHIPKNJPDT-MNOVXSKESA-N 1 1 259.353 2.853 10 0 CFAEMO CCN(CC)C[C@@H](C)[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000045693753 543080323 /nfs/dbraw/zinc/08/03/23/543080323.db2.gz QUPJRIILXRFHIK-OLZOCXBDSA-N 1 1 280.460 2.901 10 0 CFAEMO Cc1cc(Br)c(C(=O)C[NH3+])cc1Cl ZINC000307560368 397644891 /nfs/dbraw/zinc/64/48/91/397644891.db2.gz XQHQWCRTSYYTGA-UHFFFAOYSA-N 1 1 262.534 2.552 10 0 CFAEMO C[C@@H]1C[N@H+](Cc2c[nH]nc2C(C)(C)C)CC(C)(C)O1 ZINC000119540219 397600748 /nfs/dbraw/zinc/60/07/48/397600748.db2.gz GJTHFDJKYMUXQJ-LLVKDONJSA-N 1 1 265.401 2.707 10 0 CFAEMO C[C@@H]1C[N@@H+](Cc2c[nH]nc2C(C)(C)C)CC(C)(C)O1 ZINC000119540219 397600751 /nfs/dbraw/zinc/60/07/51/397600751.db2.gz GJTHFDJKYMUXQJ-LLVKDONJSA-N 1 1 265.401 2.707 10 0 CFAEMO CCOCC[N@H+]1CCN(C(=O)[C@H](C)[C@H](C)CC)C[C@@H]1CC ZINC000248612830 286087680 /nfs/dbraw/zinc/08/76/80/286087680.db2.gz WNMUJSLOAIRKCS-OAGGEKHMSA-N 1 1 298.471 2.628 10 0 CFAEMO COCC1(C[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@H]2O)CCC1 ZINC000336835399 292232347 /nfs/dbraw/zinc/23/23/47/292232347.db2.gz UJMHVZIVDAEIAV-BZUAXINKSA-N 1 1 281.440 2.819 10 0 CFAEMO CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)Cc1ccsc1 ZINC000363681593 156193240 /nfs/dbraw/zinc/19/32/40/156193240.db2.gz CDZZHUZTHUDMJV-LSDHHAIUSA-N 1 1 292.448 2.766 10 0 CFAEMO C[C@@H]([NH2+][C@H]1CC(=O)N(C)c2ccccc21)c1ccccn1 ZINC000037219036 287065960 /nfs/dbraw/zinc/06/59/60/287065960.db2.gz IBZDYBFXHUHBOP-DOMZBBRYSA-N 1 1 281.359 2.840 10 0 CFAEMO C[N@@H+](CCc1ccccc1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000005965666 170163490 /nfs/dbraw/zinc/16/34/90/170163490.db2.gz HDKXNOZGPYDIMX-GOSISDBHSA-N 1 1 294.398 2.966 10 0 CFAEMO CCC[N@H+]1Cc2cccc3c2n(c(=O)n3C(C)C)C[C@H]1C ZINC000006380294 170196194 /nfs/dbraw/zinc/19/61/94/170196194.db2.gz SUHLWLBRKBZCOM-CYBMUJFWSA-N 1 1 287.407 2.998 10 0 CFAEMO C[N@@H+]1CCc2c(sc(N)c2C(=O)C(C)(C)C)C1 ZINC000006857303 170250257 /nfs/dbraw/zinc/25/02/57/170250257.db2.gz XHGMGJDSLZLIOD-UHFFFAOYSA-N 1 1 252.383 2.547 10 0 CFAEMO C[N@H+]1CCc2c(sc(N)c2C(=O)C(C)(C)C)C1 ZINC000006857303 170250259 /nfs/dbraw/zinc/25/02/59/170250259.db2.gz XHGMGJDSLZLIOD-UHFFFAOYSA-N 1 1 252.383 2.547 10 0 CFAEMO C[C@H]([NH2+]CC(=O)Nc1c(F)cccc1F)c1ccco1 ZINC000007799740 170303590 /nfs/dbraw/zinc/30/35/90/170303590.db2.gz FUVKNCJFDBHSFJ-VIFPVBQESA-N 1 1 280.274 2.847 10 0 CFAEMO CCCC[N@@H+](CC)CCC(=O)Nc1cccc(N)c1 ZINC000019265724 170764467 /nfs/dbraw/zinc/76/44/67/170764467.db2.gz OFOTWWIGEBVVGE-UHFFFAOYSA-N 1 1 263.385 2.719 10 0 CFAEMO c1ccc2sc(C[NH2+]Cc3ccncc3)nc2c1 ZINC000020136022 171023327 /nfs/dbraw/zinc/02/33/27/171023327.db2.gz USACTRBWHZUGTH-UHFFFAOYSA-N 1 1 255.346 2.981 10 0 CFAEMO COc1cccc([C@@H](C)NC[C@@H](C(C)C)[NH+](C)C)c1 ZINC000020145679 171030862 /nfs/dbraw/zinc/03/08/62/171030862.db2.gz HLXNTIZNISORTI-CJNGLKHVSA-N 1 1 264.413 2.932 10 0 CFAEMO CCOc1ccccc1[C@H](CN)[N@H+](C)CC(C)C ZINC000020226161 171090133 /nfs/dbraw/zinc/09/01/33/171090133.db2.gz HZDIFZGNWGTRLY-AWEZNQCLSA-N 1 1 250.386 2.673 10 0 CFAEMO CCOc1ccccc1[C@H](CN)[N@@H+](C)CC(C)C ZINC000020226161 171090135 /nfs/dbraw/zinc/09/01/35/171090135.db2.gz HZDIFZGNWGTRLY-AWEZNQCLSA-N 1 1 250.386 2.673 10 0 CFAEMO CCCC[N@@H+](C)C[C@@H](N)c1ccc(OC)c(F)c1 ZINC000020260400 171116935 /nfs/dbraw/zinc/11/69/35/171116935.db2.gz XYBYLDLCCWJAFA-CYBMUJFWSA-N 1 1 254.349 2.566 10 0 CFAEMO CCCCN(C)C[C@@H]([NH3+])c1ccc(OC)c(F)c1 ZINC000020260400 171116936 /nfs/dbraw/zinc/11/69/36/171116936.db2.gz XYBYLDLCCWJAFA-CYBMUJFWSA-N 1 1 254.349 2.566 10 0 CFAEMO [NH3+][C@H](Cc1ccc(O)cc1)c1nc2ccccc2o1 ZINC000020376040 171170907 /nfs/dbraw/zinc/17/09/07/171170907.db2.gz ZERRKQIWAVIGEC-GFCCVEGCSA-N 1 1 254.289 2.776 10 0 CFAEMO CC[N@H+]1CCC[C@@H]1CNc1ccc(Br)cc1N ZINC000020384046 171174247 /nfs/dbraw/zinc/17/42/47/171174247.db2.gz HWZKYOOUDMVVSP-LLVKDONJSA-N 1 1 298.228 2.928 10 0 CFAEMO Cc1nn(C)c(C)c1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000020595975 171264541 /nfs/dbraw/zinc/26/45/41/171264541.db2.gz IWIAPFGKDDDQDF-MRXNPFEDSA-N 1 1 284.407 2.723 10 0 CFAEMO CCCOc1ccccc1C[NH2+]CCN(CC)CC ZINC000020967288 171281945 /nfs/dbraw/zinc/28/19/45/171281945.db2.gz PDQOHMMWUWUQKN-UHFFFAOYSA-N 1 1 264.413 2.907 10 0 CFAEMO Fc1c(F)c(F)c(N[C@H]2C[NH+]3CCC2CC3)c(F)c1F ZINC000021812866 171329949 /nfs/dbraw/zinc/32/99/49/171329949.db2.gz KKJWQULNRNBVLO-ZETCQYMHSA-N 1 1 292.251 2.888 10 0 CFAEMO C[NH+](C)CCN[C@@H](c1ccccc1)c1ccc(O)cc1 ZINC000021961620 171342820 /nfs/dbraw/zinc/34/28/20/171342820.db2.gz PQMFGMIVSMJFJT-KRWDZBQOSA-N 1 1 270.376 2.633 10 0 CFAEMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1N ZINC000022153449 171360722 /nfs/dbraw/zinc/36/07/22/171360722.db2.gz DPZCVKSBEGHKFK-JTQLQIEISA-N 1 1 281.787 2.735 10 0 CFAEMO C[C@@H](C(=O)Nc1ccc(F)cc1N)[N@H+]1CCCC[C@@H]1C ZINC000022155565 171362334 /nfs/dbraw/zinc/36/23/34/171362334.db2.gz WJNUREPQTNOPRV-QWRGUYRKSA-N 1 1 279.359 2.609 10 0 CFAEMO C[C@H]1CCC[N@@H+](CCCC(=O)Nc2ccc(F)c(N)c2)C1 ZINC000022156333 171362676 /nfs/dbraw/zinc/36/26/76/171362676.db2.gz VZJQSDQUIDFOCB-LBPRGKRZSA-N 1 1 293.386 2.859 10 0 CFAEMO C[C@@H](C(=O)Nc1ccc(F)c(N)c1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022168206 171366982 /nfs/dbraw/zinc/36/69/82/171366982.db2.gz VLFPKAIMZZPBCJ-TUAOUCFPSA-N 1 1 293.386 2.713 10 0 CFAEMO COc1ccc([C@H](CN)[N@@H+](C)C2CCCCC2)cc1 ZINC000022172463 171368863 /nfs/dbraw/zinc/36/88/63/171368863.db2.gz GDZGYFKMFWJKCT-INIZCTEOSA-N 1 1 262.397 2.960 10 0 CFAEMO COc1ccc([C@H](C[NH3+])N(C)C2CCCCC2)cc1 ZINC000022172463 171368864 /nfs/dbraw/zinc/36/88/64/171368864.db2.gz GDZGYFKMFWJKCT-INIZCTEOSA-N 1 1 262.397 2.960 10 0 CFAEMO CC(C)[N@@H+](C)[C@H](C)C(=O)Nc1nc2ccc(N)cc2s1 ZINC000022214507 171374859 /nfs/dbraw/zinc/37/48/59/171374859.db2.gz ZAAOJHMSLIFMIM-SECBINFHSA-N 1 1 292.408 2.546 10 0 CFAEMO CC(C)[N@H+](C)[C@H](CN)c1ccc(OC(F)F)cc1 ZINC000022215204 171375301 /nfs/dbraw/zinc/37/53/01/171375301.db2.gz URSRRKWMFXZCME-GFCCVEGCSA-N 1 1 258.312 2.628 10 0 CFAEMO CC(C)[N@@H+](C)[C@H](CN)c1ccc(OC(F)F)cc1 ZINC000022215204 171375302 /nfs/dbraw/zinc/37/53/02/171375302.db2.gz URSRRKWMFXZCME-GFCCVEGCSA-N 1 1 258.312 2.628 10 0 CFAEMO C[C@@H]1C[C@@H](C)CN(C[C@@H]([NH3+])c2ccccc2F)C1 ZINC000022563187 171391099 /nfs/dbraw/zinc/39/10/99/171391099.db2.gz GKNZEOKAAGUMDA-LALPHHSUSA-N 1 1 250.361 2.803 10 0 CFAEMO COc1ccc(C)cc1[C@@H]([NH3+])CN1CCCCCC1 ZINC000022564746 171391698 /nfs/dbraw/zinc/39/16/98/171391698.db2.gz BJWMESSOBLPKHR-HNNXBMFYSA-N 1 1 262.397 2.879 10 0 CFAEMO C[C@@H]1CCC[C@@H](C)N1C[C@@H]([NH3+])c1ccc2c(c1)OCCO2 ZINC000022567014 171392643 /nfs/dbraw/zinc/39/26/43/171392643.db2.gz NEUASYCDJODOPN-UMVBOHGHSA-N 1 1 290.407 2.721 10 0 CFAEMO CCC[C@@](O)(CC[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000027346096 171514559 /nfs/dbraw/zinc/51/45/59/171514559.db2.gz XYLDGPFKKOWIJY-MRXNPFEDSA-N 1 1 281.371 2.536 10 0 CFAEMO C[NH2+][C@H](c1cnn(C)c1)c1cc(F)ccc1Br ZINC000035500329 172233742 /nfs/dbraw/zinc/23/37/42/172233742.db2.gz ICYKFLPNNHVSDY-GFCCVEGCSA-N 1 1 298.159 2.631 10 0 CFAEMO CC(C)[C@H](C)[N@@H+](C)CCC(=O)Nc1ccccc1N ZINC000036786550 172703699 /nfs/dbraw/zinc/70/36/99/172703699.db2.gz AQLYPDLODSBDGH-LBPRGKRZSA-N 1 1 263.385 2.574 10 0 CFAEMO C[C@@H]1CCC[N@@H+](C[C@@H]2Cc3ccccc32)[C@@H]1CCO ZINC000661499105 414016982 /nfs/dbraw/zinc/01/69/82/414016982.db2.gz NYPJTBUSIPTKLT-UKPHBRMFSA-N 1 1 259.393 2.809 10 0 CFAEMO CCCCC[N@@H+](C)C[C@H](N)c1ccc(OC)cc1 ZINC000037165820 173000309 /nfs/dbraw/zinc/00/03/09/173000309.db2.gz PJQKVHFJFNUNPV-HNNXBMFYSA-N 1 1 250.386 2.817 10 0 CFAEMO CCCCCN(C)C[C@H]([NH3+])c1ccc(OC)cc1 ZINC000037165820 173000312 /nfs/dbraw/zinc/00/03/12/173000312.db2.gz PJQKVHFJFNUNPV-HNNXBMFYSA-N 1 1 250.386 2.817 10 0 CFAEMO CC[C@H](C)C[N@@H+](C)Cc1ccc(C(N)=S)cc1 ZINC000037173263 173007807 /nfs/dbraw/zinc/00/78/07/173007807.db2.gz JHFVGCQPJRYRSF-NSHDSACASA-N 1 1 250.411 2.799 10 0 CFAEMO CCc1ccc([C@@H](CN)[N@H+](C)[C@@H]2CCSC2)cc1 ZINC000037174474 173008691 /nfs/dbraw/zinc/00/86/91/173008691.db2.gz PCTXKAUQMODRON-HUUCEWRRSA-N 1 1 264.438 2.686 10 0 CFAEMO CCc1ccc([C@@H](CN)[N@@H+](C)[C@@H]2CCSC2)cc1 ZINC000037174474 173008692 /nfs/dbraw/zinc/00/86/92/173008692.db2.gz PCTXKAUQMODRON-HUUCEWRRSA-N 1 1 264.438 2.686 10 0 CFAEMO C[N@H+]([C@@H](CN)c1cccc(Cl)c1)[C@H]1CCSC1 ZINC000037174505 173008990 /nfs/dbraw/zinc/00/89/90/173008990.db2.gz CFDVRVMJVGXYBL-STQMWFEESA-N 1 1 270.829 2.777 10 0 CFAEMO C[N@@H+]([C@@H](CN)c1cccc(Cl)c1)[C@H]1CCSC1 ZINC000037174505 173008991 /nfs/dbraw/zinc/00/89/91/173008991.db2.gz CFDVRVMJVGXYBL-STQMWFEESA-N 1 1 270.829 2.777 10 0 CFAEMO COc1nc2sccn2c1C[NH2+][C@H](C)c1ccccn1 ZINC000037218868 173036940 /nfs/dbraw/zinc/03/69/40/173036940.db2.gz NHHXVKPAYBYEBT-SNVBAGLBSA-N 1 1 288.376 2.650 10 0 CFAEMO C[C@@H]([NH2+][C@@H]1CCc2ccccc21)[C@@H]1CCCN(C)C1 ZINC000037220962 173039839 /nfs/dbraw/zinc/03/98/39/173039839.db2.gz AHVRXJYOBKLSMB-FRFSOERESA-N 1 1 258.409 2.994 10 0 CFAEMO CC[N@H+]1CCC[C@@H]([C@@H](C)Nc2c(C)nn(C)c2C)C1 ZINC000037221028 173040409 /nfs/dbraw/zinc/04/04/09/173040409.db2.gz AVMMDZUHSIHUAI-BXUZGUMPSA-N 1 1 264.417 2.569 10 0 CFAEMO C[C@@H](NCc1cccc(F)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000037221930 173042520 /nfs/dbraw/zinc/04/25/20/173042520.db2.gz NVFKUCIVSKYEOY-TZMCWYRMSA-N 1 1 250.361 2.646 10 0 CFAEMO C[C@@H](NCc1cccc(F)c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000037221930 173042522 /nfs/dbraw/zinc/04/25/22/173042522.db2.gz NVFKUCIVSKYEOY-TZMCWYRMSA-N 1 1 250.361 2.646 10 0 CFAEMO Cc1ncsc1[C@H](C)[NH2+]C1CCN(C(C)C)CC1 ZINC000037236825 173054577 /nfs/dbraw/zinc/05/45/77/173054577.db2.gz AEBAOPHPFHLDQX-LBPRGKRZSA-N 1 1 267.442 2.975 10 0 CFAEMO CCCCCC[C@@](C)(C[NH3+])N1CCC(OC)CC1 ZINC000037265930 173075064 /nfs/dbraw/zinc/07/50/64/173075064.db2.gz KHAGGFNBVNBSKQ-HNNXBMFYSA-N 1 1 256.434 2.785 10 0 CFAEMO CC[C@H](C)[N@H+](CC)CC(=O)c1cc(F)ccc1O ZINC000037336573 173137818 /nfs/dbraw/zinc/13/78/18/173137818.db2.gz SRAZWJSODSLPEK-JTQLQIEISA-N 1 1 253.317 2.834 10 0 CFAEMO CC[C@H](C)[N@@H+](CC)CC(=O)c1cc(F)ccc1O ZINC000037336573 173137820 /nfs/dbraw/zinc/13/78/20/173137820.db2.gz SRAZWJSODSLPEK-JTQLQIEISA-N 1 1 253.317 2.834 10 0 CFAEMO Cc1[nH+]ccn1[C@H](C)C(=O)c1ccc(F)cc1F ZINC000037340653 173142521 /nfs/dbraw/zinc/14/25/21/173142521.db2.gz WLYZGKNRQJHSPF-MRVPVSSYSA-N 1 1 250.248 2.914 10 0 CFAEMO CC[N@@H+](CC(C)C)[C@@H](CN)c1ccc2c(c1)CCO2 ZINC000037363787 173152386 /nfs/dbraw/zinc/15/23/86/173152386.db2.gz ODIYTLAJYLNOQV-HNNXBMFYSA-N 1 1 262.397 2.599 10 0 CFAEMO CCN(CC(C)C)[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037363787 173152389 /nfs/dbraw/zinc/15/23/89/173152389.db2.gz ODIYTLAJYLNOQV-HNNXBMFYSA-N 1 1 262.397 2.599 10 0 CFAEMO CC(C)[NH2+][C@@](C)(C(N)=O)c1ccc(Cl)cc1Cl ZINC000037446454 173213258 /nfs/dbraw/zinc/21/32/58/173213258.db2.gz IRASQAPJVFDTFI-GFCCVEGCSA-N 1 1 275.179 2.692 10 0 CFAEMO CCc1ccc(CN(CC)C2CC[NH2+]CC2)s1 ZINC000037538068 173257581 /nfs/dbraw/zinc/25/75/81/173257581.db2.gz JQONGPSQYOXSEG-UHFFFAOYSA-N 1 1 252.427 2.884 10 0 CFAEMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)COCc1ccccc1 ZINC000662130210 414421031 /nfs/dbraw/zinc/42/10/31/414421031.db2.gz DAWMLMNZKHGNJU-NXCDMZCRSA-N 1 1 289.419 2.827 10 0 CFAEMO CC(C)Oc1cccc([C@H](C)NC2CC[NH2+]CC2)c1 ZINC000038041087 174041388 /nfs/dbraw/zinc/04/13/88/174041388.db2.gz JOCJPADTTUDRBM-ZDUSSCGKSA-N 1 1 262.397 2.876 10 0 CFAEMO C[C@H](CNCc1ccc2c(c1)OCO2)C[NH+]1CCCCC1 ZINC000038041636 174043621 /nfs/dbraw/zinc/04/36/21/174043621.db2.gz BFBCSUXOOXAKGY-CQSZACIVSA-N 1 1 290.407 2.627 10 0 CFAEMO C[C@@H](c1cccc(Cl)c1)N(C)C(=O)[C@H]1CSC[NH2+]1 ZINC000038101357 174116918 /nfs/dbraw/zinc/11/69/18/174116918.db2.gz DLCKIZXQQCLSJG-JOYOIKCWSA-N 1 1 284.812 2.522 10 0 CFAEMO c1ccc2c(c1)OCC[C@H]2NCC[NH+]1CCCCC1 ZINC000038393139 174141596 /nfs/dbraw/zinc/14/15/96/174141596.db2.gz ZZNPNCNMEXMMHY-OAHLLOKOSA-N 1 1 260.381 2.586 10 0 CFAEMO CCC[NH+](CCC)[C@H](CN)c1cccc(OC)c1OC ZINC000038860436 174158248 /nfs/dbraw/zinc/15/82/48/174158248.db2.gz JXCPNZNZNVJHDN-CQSZACIVSA-N 1 1 280.412 2.826 10 0 CFAEMO COc1cccc([C@@H](CN)[N@H+]2C[C@H](C)C[C@H](C)C2)c1OC ZINC000039789169 174173526 /nfs/dbraw/zinc/17/35/26/174173526.db2.gz BCKVVEZOMAAIEM-VNHYZAJKSA-N 1 1 292.423 2.682 10 0 CFAEMO COc1cccc([C@@H](CN)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1OC ZINC000039789169 174173529 /nfs/dbraw/zinc/17/35/29/174173529.db2.gz BCKVVEZOMAAIEM-VNHYZAJKSA-N 1 1 292.423 2.682 10 0 CFAEMO O[C@H](Cc1[nH]cc[nH+]1)c1cc(Cl)ccc1Cl ZINC000040261461 174217209 /nfs/dbraw/zinc/21/72/09/174217209.db2.gz XMEIJCRFIZHDGN-SNVBAGLBSA-N 1 1 257.120 2.993 10 0 CFAEMO COc1ccccc1-c1nc([C@@H]2CCCC[NH2+]2)no1 ZINC000040443416 174263477 /nfs/dbraw/zinc/26/34/77/174263477.db2.gz BLMCUOPKNIZBCD-NSHDSACASA-N 1 1 259.309 2.560 10 0 CFAEMO CCOc1ccccc1CN[C@H]1CCC[N@H+](CC)C1 ZINC000040502029 174297908 /nfs/dbraw/zinc/29/79/08/174297908.db2.gz YIINEQBMTKQQGW-HNNXBMFYSA-N 1 1 262.397 2.659 10 0 CFAEMO CCOc1ccccc1CN[C@H]1CCC[N@@H+](CC)C1 ZINC000040502029 174297910 /nfs/dbraw/zinc/29/79/10/174297910.db2.gz YIINEQBMTKQQGW-HNNXBMFYSA-N 1 1 262.397 2.659 10 0 CFAEMO CC[N@@H+]1CCC[C@@H](NCc2cc(F)ccc2F)C1 ZINC000040502636 174299113 /nfs/dbraw/zinc/29/91/13/174299113.db2.gz KWYNQXUVFBUAOA-CYBMUJFWSA-N 1 1 254.324 2.539 10 0 CFAEMO CC[N@H+]1CCC[C@@H](NCc2cc(F)ccc2F)C1 ZINC000040502636 174299114 /nfs/dbraw/zinc/29/91/14/174299114.db2.gz KWYNQXUVFBUAOA-CYBMUJFWSA-N 1 1 254.324 2.539 10 0 CFAEMO Cc1cc(C)c(C(N)=S)c(N(C)C2CCCC2)[nH+]1 ZINC000040510222 174303807 /nfs/dbraw/zinc/30/38/07/174303807.db2.gz HTPKITCPXJMIDO-UHFFFAOYSA-N 1 1 263.410 2.711 10 0 CFAEMO COc1cccc(OC)c1-c1nc([C@@H]2CCCC[NH2+]2)no1 ZINC000040557858 174332403 /nfs/dbraw/zinc/33/24/03/174332403.db2.gz OWBVGXOPNUAEIW-JTQLQIEISA-N 1 1 289.335 2.568 10 0 CFAEMO CC(C)Oc1cccc([C@H](CN)[N@H+](C)[C@@H]2CCSC2)c1 ZINC000040641122 174364401 /nfs/dbraw/zinc/36/44/01/174364401.db2.gz VZJVPACDJVKQGU-ZBFHGGJFSA-N 1 1 294.464 2.911 10 0 CFAEMO CC(C)Oc1cccc([C@H](CN)[N@@H+](C)[C@@H]2CCSC2)c1 ZINC000040641122 174364402 /nfs/dbraw/zinc/36/44/02/174364402.db2.gz VZJVPACDJVKQGU-ZBFHGGJFSA-N 1 1 294.464 2.911 10 0 CFAEMO C[N@H+]1CCC[C@@H](Nc2ncccc2C(F)(F)F)C1 ZINC000040673550 174372073 /nfs/dbraw/zinc/37/20/73/174372073.db2.gz MCBCMBXAOQHNAX-SECBINFHSA-N 1 1 259.275 2.607 10 0 CFAEMO CCOc1ccc([C@@H](N)C[NH+]2CCC(OCC)CC2)cc1 ZINC000040689349 174376386 /nfs/dbraw/zinc/37/63/86/174376386.db2.gz DSNRCVWABRYZFV-KRWDZBQOSA-N 1 1 292.423 2.586 10 0 CFAEMO CC(C)CN(CC(C)C)c1nc[nH+]c(NC(C)C)c1N ZINC000040708063 174380203 /nfs/dbraw/zinc/38/02/03/174380203.db2.gz XWLGLAGSVDXKAX-UHFFFAOYSA-N 1 1 279.432 2.998 10 0 CFAEMO C[C@H]1CC[N@@H+](CCCC(=O)Nc2ccc(Cl)c(N)c2)C1 ZINC000040716891 174384027 /nfs/dbraw/zinc/38/40/27/174384027.db2.gz ZRXGRCYZSRJYIE-NSHDSACASA-N 1 1 295.814 2.983 10 0 CFAEMO C[C@@H](C(=O)Nc1ccc(N)cc1Cl)[N@@H+]1CC[C@@H](C)C1 ZINC000040716804 174384139 /nfs/dbraw/zinc/38/41/39/174384139.db2.gz HHQQJCYFOAHWTK-ZJUUUORDSA-N 1 1 281.787 2.591 10 0 CFAEMO C[C@@H](C(=O)Nc1ccc(N)cc1Cl)[N@H+]1CC[C@@H](C)C1 ZINC000040716804 174384141 /nfs/dbraw/zinc/38/41/41/174384141.db2.gz HHQQJCYFOAHWTK-ZJUUUORDSA-N 1 1 281.787 2.591 10 0 CFAEMO C[C@@H]1CC[N@@H+](CCCC(=O)Nc2ccc(Cl)c(N)c2)C1 ZINC000040716890 174384300 /nfs/dbraw/zinc/38/43/00/174384300.db2.gz ZRXGRCYZSRJYIE-LLVKDONJSA-N 1 1 295.814 2.983 10 0 CFAEMO C[C@@H]1CC[N@@H+](CCCC(=O)Nc2ccc(Cl)cc2N)C1 ZINC000040716846 174384342 /nfs/dbraw/zinc/38/43/42/174384342.db2.gz BTKQAEWPQHUKAO-LLVKDONJSA-N 1 1 295.814 2.983 10 0 CFAEMO Cc1ccc(N)cc1NC(=O)CCC[N@@H+]1CC[C@H](C)C1 ZINC000040716852 174384433 /nfs/dbraw/zinc/38/44/33/174384433.db2.gz YEQWRFFVXJUQKM-LBPRGKRZSA-N 1 1 275.396 2.638 10 0 CFAEMO Cc1[nH]c2ccccc2c1C[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749434 174393765 /nfs/dbraw/zinc/39/37/65/174393765.db2.gz UKPNOTCSHYPBRS-AGUYFDCRSA-N 1 1 269.392 2.930 10 0 CFAEMO COc1ccccc1C[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749445 174394065 /nfs/dbraw/zinc/39/40/65/174394065.db2.gz UHMTVZAMTPDOBS-OHRKKDJYSA-N 1 1 274.408 2.580 10 0 CFAEMO [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccc2ccccc2n1 ZINC000040750364 174394944 /nfs/dbraw/zinc/39/49/44/174394944.db2.gz HLLSPGVTJHXWCL-VHRNVKJDSA-N 1 1 267.376 2.689 10 0 CFAEMO Cc1cccc([C@@H]([NH2+]Cc2ccccc2)C(N)=O)c1C ZINC000043315214 175004421 /nfs/dbraw/zinc/00/44/21/175004421.db2.gz SBJHTEXNSRYKDT-MRXNPFEDSA-N 1 1 268.360 2.620 10 0 CFAEMO CC(C)[C@H]([NH2+][C@H]1CCCNC1)c1ccc(F)cc1 ZINC000043326146 175007564 /nfs/dbraw/zinc/00/75/64/175007564.db2.gz MZPLUGXARJKTLU-GJZGRUSLSA-N 1 1 250.361 2.864 10 0 CFAEMO CC[C@H](N)[C@@H](c1ccco1)[N@H+](CCO)C1CCCCC1 ZINC000043336137 175011987 /nfs/dbraw/zinc/01/19/87/175011987.db2.gz PGHXHFBQXRWWKS-HOCLYGCPSA-N 1 1 280.412 2.685 10 0 CFAEMO CC[C@H](N)[C@@H](c1ccco1)[N@@H+](CCO)C1CCCCC1 ZINC000043336137 175011989 /nfs/dbraw/zinc/01/19/89/175011989.db2.gz PGHXHFBQXRWWKS-HOCLYGCPSA-N 1 1 280.412 2.685 10 0 CFAEMO CC[C@@H](N)[C@@H](c1ccco1)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043336234 175012243 /nfs/dbraw/zinc/01/22/43/175012243.db2.gz SAOBDZVWPGKSBE-BJJXKVORSA-N 1 1 280.412 2.805 10 0 CFAEMO CC[C@@H](N)[C@@H](c1ccco1)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043336234 175012244 /nfs/dbraw/zinc/01/22/44/175012244.db2.gz SAOBDZVWPGKSBE-BJJXKVORSA-N 1 1 280.412 2.805 10 0 CFAEMO C[C@@H](N)[C@H](c1ccccn1)[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000043340225 175014504 /nfs/dbraw/zinc/01/45/04/175014504.db2.gz LRZQNKLZUORMKO-IXYNUQLISA-N 1 1 261.413 2.980 10 0 CFAEMO C[C@@H](N)[C@H](c1ccccn1)[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000043340225 175014506 /nfs/dbraw/zinc/01/45/06/175014506.db2.gz LRZQNKLZUORMKO-IXYNUQLISA-N 1 1 261.413 2.980 10 0 CFAEMO CC[C@@H](N)[C@H](c1cccnc1)[N@H+](CC(C)C)C1CC1 ZINC000043348388 175018802 /nfs/dbraw/zinc/01/88/02/175018802.db2.gz UXLVTCDPYXHEIK-CVEARBPZSA-N 1 1 261.413 2.980 10 0 CFAEMO CC[C@@H](N)[C@H](c1cccnc1)[N@@H+](CC(C)C)C1CC1 ZINC000043348388 175018804 /nfs/dbraw/zinc/01/88/04/175018804.db2.gz UXLVTCDPYXHEIK-CVEARBPZSA-N 1 1 261.413 2.980 10 0 CFAEMO C[C@@H](N)[C@@H](c1ccncc1)[N@H+](C)C1CCC(C)CC1 ZINC000043354176 175021336 /nfs/dbraw/zinc/02/13/36/175021336.db2.gz LYCSFJGFTNNWGM-FYAIKVRKSA-N 1 1 261.413 2.980 10 0 CFAEMO C[C@@H](N)[C@@H](c1ccncc1)[N@@H+](C)C1CCC(C)CC1 ZINC000043354176 175021338 /nfs/dbraw/zinc/02/13/38/175021338.db2.gz LYCSFJGFTNNWGM-FYAIKVRKSA-N 1 1 261.413 2.980 10 0 CFAEMO COC1CC[NH+]([C@@H](CN)C[C@@H](C)c2ccccc2)CC1 ZINC000043534726 175062825 /nfs/dbraw/zinc/06/28/25/175062825.db2.gz PQFPSXVIHXCLEL-GDBMZVCRSA-N 1 1 276.424 2.618 10 0 CFAEMO C[C@@H](C[C@H](CN)[N@@H+](C)C1CCOCC1)c1ccccc1 ZINC000043534840 175063038 /nfs/dbraw/zinc/06/30/38/175063038.db2.gz ZYVLXSJSJMNNFE-WMLDXEAASA-N 1 1 276.424 2.618 10 0 CFAEMO C[C@@H](C[C@H](C[NH3+])N(C)C1CCOCC1)c1ccccc1 ZINC000043534840 175063039 /nfs/dbraw/zinc/06/30/39/175063039.db2.gz ZYVLXSJSJMNNFE-WMLDXEAASA-N 1 1 276.424 2.618 10 0 CFAEMO CC(C)([NH3+])c1nc(-c2ccccc2Br)no1 ZINC000043560515 175066513 /nfs/dbraw/zinc/06/65/13/175066513.db2.gz IMSAQMGKAKNBRI-UHFFFAOYSA-N 1 1 282.141 2.693 10 0 CFAEMO CCC1CC[NH+](C[C@H]2NCCc3ccccc32)CC1 ZINC000043596183 175076737 /nfs/dbraw/zinc/07/67/37/175076737.db2.gz VIIPRRKGMVGOOF-QGZVFWFLSA-N 1 1 258.409 2.995 10 0 CFAEMO CC[N@H+]1CCC[C@H]1CNc1ccc(N)cc1Br ZINC000043596638 175076740 /nfs/dbraw/zinc/07/67/40/175076740.db2.gz RUINFPNOHBZTIB-NSHDSACASA-N 1 1 298.228 2.928 10 0 CFAEMO Cc1cccc2nc([C@H]([NH3+])Cc3ccc(O)cc3)[nH]c21 ZINC000043601041 175077573 /nfs/dbraw/zinc/07/75/73/175077573.db2.gz PQMFGPRTGRFRRE-CYBMUJFWSA-N 1 1 267.332 2.819 10 0 CFAEMO C[NH2+][C@@H](c1ccco1)c1cc(OC)c(OC)cc1OC ZINC000043607425 175078367 /nfs/dbraw/zinc/07/83/67/175078367.db2.gz ZPVHNOZSGUPFAM-OAHLLOKOSA-N 1 1 277.320 2.614 10 0 CFAEMO Cc1nn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c(N)c1Cl ZINC000043667848 175086734 /nfs/dbraw/zinc/08/67/34/175086734.db2.gz BHAMDURXRWXNHE-ZDUSSCGKSA-N 1 1 290.798 2.874 10 0 CFAEMO CCN1CCN([C@@H](C(C)C)[C@H]([NH2+]C)c2ccccc2)CC1 ZINC000043805805 175107740 /nfs/dbraw/zinc/10/77/40/175107740.db2.gz HBQGVXYGUAAFKR-MSOLQXFVSA-N 1 1 289.467 2.609 10 0 CFAEMO CCC[NH2+][C@@H](CN1CCN(CC)CC1)c1ccccc1C ZINC000043806229 175108116 /nfs/dbraw/zinc/10/81/16/175108116.db2.gz MJXVGJPPHIASTI-SFHVURJKSA-N 1 1 289.467 2.673 10 0 CFAEMO CC[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)N1CCN(CC)CC1 ZINC000043806064 175108358 /nfs/dbraw/zinc/10/83/58/175108358.db2.gz XSMIRBXRPZZKEB-FUHWJXTLSA-N 1 1 289.467 2.672 10 0 CFAEMO CCC[NH2+][C@H](CN1CCN(CC)CC1)c1ccc(C)cc1 ZINC000043806157 175108532 /nfs/dbraw/zinc/10/85/32/175108532.db2.gz GZRAVPDWALIHQX-GOSISDBHSA-N 1 1 289.467 2.673 10 0 CFAEMO CC[NH+](CC)[C@H]1CCc2cc(OC)ccc2[C@H]1NC ZINC000043809096 175109477 /nfs/dbraw/zinc/10/94/77/175109477.db2.gz YLZAJOQOLUWOSD-JKSUJKDBSA-N 1 1 262.397 2.612 10 0 CFAEMO CCN[C@H](C[NH+](CC)CC)c1cc(OC)ccc1OC ZINC000043809290 175109897 /nfs/dbraw/zinc/10/98/97/175109897.db2.gz ZMNWHUCSGYIGPY-OAHLLOKOSA-N 1 1 280.412 2.696 10 0 CFAEMO CCC[NH2+][C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1N1CCN(C)CC1 ZINC000043810985 175110289 /nfs/dbraw/zinc/11/02/89/175110289.db2.gz YIBAYRGRAQQFQK-BBWFWOEESA-N 1 1 295.515 2.817 10 0 CFAEMO CC[NH2+][C@H](c1ccccc1)[C@@H](C(C)C)N1CCN(C)CC1 ZINC000043810777 175110422 /nfs/dbraw/zinc/11/04/22/175110422.db2.gz MMJYEPYXQLSNID-QZTJIDSGSA-N 1 1 289.467 2.609 10 0 CFAEMO CN[C@H](C[N@H+](C)C(C)C)c1cc(C)ccc1OC ZINC000043813194 175110631 /nfs/dbraw/zinc/11/06/31/175110631.db2.gz OHHGJSUCXGXTJT-CQSZACIVSA-N 1 1 250.386 2.604 10 0 CFAEMO CN[C@H](C[N@@H+](C)C(C)C)c1cc(C)ccc1OC ZINC000043813194 175110632 /nfs/dbraw/zinc/11/06/32/175110632.db2.gz OHHGJSUCXGXTJT-CQSZACIVSA-N 1 1 250.386 2.604 10 0 CFAEMO CN[C@H](c1ccc(OC)cc1)[C@H](C)[N@H+](C)C(C)C ZINC000043813174 175111079 /nfs/dbraw/zinc/11/10/79/175111079.db2.gz QKYDQHWGTLOXBS-WFASDCNBSA-N 1 1 250.386 2.684 10 0 CFAEMO CN[C@H](c1ccc(OC)cc1)[C@H](C)[N@@H+](C)C(C)C ZINC000043813174 175111081 /nfs/dbraw/zinc/11/10/81/175111081.db2.gz QKYDQHWGTLOXBS-WFASDCNBSA-N 1 1 250.386 2.684 10 0 CFAEMO CN[C@@H]1c2ccccc2OC[C@H]1[NH+]1CCCCCC1 ZINC000043812107 175111313 /nfs/dbraw/zinc/11/13/13/175111313.db2.gz 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/nfs/dbraw/zinc/11/48/57/175114857.db2.gz HWTZCKOADZJNNK-HNNXBMFYSA-N 1 1 262.397 2.748 10 0 CFAEMO CC[N@@H+](C[C@H](NC)c1cc(C)ccc1OC)C1CC1 ZINC000043821471 175114858 /nfs/dbraw/zinc/11/48/58/175114858.db2.gz HWTZCKOADZJNNK-HNNXBMFYSA-N 1 1 262.397 2.748 10 0 CFAEMO CCC[N@H+](C[C@H](NC)c1ccc2c(c1)OCO2)C1CC1 ZINC000043885393 175116648 /nfs/dbraw/zinc/11/66/48/175116648.db2.gz ZXWWELGREFYTRM-AWEZNQCLSA-N 1 1 276.380 2.550 10 0 CFAEMO CCC[N@@H+](C[C@H](NC)c1ccc2c(c1)OCO2)C1CC1 ZINC000043885393 175116649 /nfs/dbraw/zinc/11/66/49/175116649.db2.gz ZXWWELGREFYTRM-AWEZNQCLSA-N 1 1 276.380 2.550 10 0 CFAEMO CCN[C@H](C[N@H+](C)CC(C)C)c1ccc2c(c1)OCCO2 ZINC000043886841 175117509 /nfs/dbraw/zinc/11/75/09/175117509.db2.gz GHXPJZOONBKJAG-OAHLLOKOSA-N 1 1 292.423 2.696 10 0 CFAEMO CCN[C@H](C[N@@H+](C)CC(C)C)c1ccc2c(c1)OCCO2 ZINC000043886841 175117510 /nfs/dbraw/zinc/11/75/10/175117510.db2.gz GHXPJZOONBKJAG-OAHLLOKOSA-N 1 1 292.423 2.696 10 0 CFAEMO CC[C@H]([C@@H](NC)c1ccccc1)[NH+]1CCC(OC)CC1 ZINC000043890080 175117583 /nfs/dbraw/zinc/11/75/83/175117583.db2.gz GAXAIUXWRRISIT-SJORKVTESA-N 1 1 276.424 2.837 10 0 CFAEMO CN[C@@H](C[N@H+](C)[C@@H](C)C(C)C)c1cccc(OC)c1 ZINC000043895324 175119438 /nfs/dbraw/zinc/11/94/38/175119438.db2.gz MVKBLIBGVMCXRG-BBRMVZONSA-N 1 1 264.413 2.932 10 0 CFAEMO CN[C@@H](C[N@@H+](C)[C@@H](C)C(C)C)c1cccc(OC)c1 ZINC000043895324 175119439 /nfs/dbraw/zinc/11/94/39/175119439.db2.gz MVKBLIBGVMCXRG-BBRMVZONSA-N 1 1 264.413 2.932 10 0 CFAEMO CCC(CC)[N@@H+](C)C[C@H](NC)c1ccc2c(c1)OCO2 ZINC000043895846 175119554 /nfs/dbraw/zinc/11/95/54/175119554.db2.gz GPRWFMMGWHEKQQ-AWEZNQCLSA-N 1 1 278.396 2.796 10 0 CFAEMO CCC(CC)N(C)C[C@H]([NH2+]C)c1ccc2c(c1)OCO2 ZINC000043895846 175119555 /nfs/dbraw/zinc/11/95/55/175119555.db2.gz GPRWFMMGWHEKQQ-AWEZNQCLSA-N 1 1 278.396 2.796 10 0 CFAEMO CN[C@H]1c2ccccc2CCC[C@@H]1[N@H+](C)C1CCOCC1 ZINC000043898097 175121145 /nfs/dbraw/zinc/12/11/45/175121145.db2.gz DUWOXQMUTVLHDS-ROUUACIJSA-N 1 1 288.435 2.763 10 0 CFAEMO CN[C@H]1c2ccccc2CCC[C@@H]1[N@@H+](C)C1CCOCC1 ZINC000043898097 175121146 /nfs/dbraw/zinc/12/11/46/175121146.db2.gz DUWOXQMUTVLHDS-ROUUACIJSA-N 1 1 288.435 2.763 10 0 CFAEMO CCN[C@H](C[N@H+](C)C1CCOCC1)c1ccc(C)cc1 ZINC000043898341 175121228 /nfs/dbraw/zinc/12/12/28/175121228.db2.gz KJULQBQJSBSRAO-QGZVFWFLSA-N 1 1 276.424 2.756 10 0 CFAEMO CCN[C@H](C[N@@H+](C)C1CCOCC1)c1ccc(C)cc1 ZINC000043898341 175121229 /nfs/dbraw/zinc/12/12/29/175121229.db2.gz KJULQBQJSBSRAO-QGZVFWFLSA-N 1 1 276.424 2.756 10 0 CFAEMO CCCN[C@H]1c2ccccc2C[C@H]1[N@H+](C)C1CCOCC1 ZINC000043898715 175121435 /nfs/dbraw/zinc/12/14/35/175121435.db2.gz QAIFFGQKJZPRCN-MSOLQXFVSA-N 1 1 288.435 2.763 10 0 CFAEMO CCCN[C@H]1c2ccccc2C[C@H]1[N@@H+](C)C1CCOCC1 ZINC000043898715 175121436 /nfs/dbraw/zinc/12/14/36/175121436.db2.gz QAIFFGQKJZPRCN-MSOLQXFVSA-N 1 1 288.435 2.763 10 0 CFAEMO CN[C@H](c1ccc(OC)cc1)[C@H](C)[N@@H+]1CCC[C@@H]1C ZINC000043902655 175122676 /nfs/dbraw/zinc/12/26/76/175122676.db2.gz NRZQQGWKSNBLIW-XEZPLFJOSA-N 1 1 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XTJWGIHLKCTCJS-JKSUJKDBSA-N 1 1 270.461 2.902 10 0 CFAEMO C[NH2+][C@H](C)c1ccc(OC)c(CN(CCOC)C2CC2)c1 ZINC000043969842 175131217 /nfs/dbraw/zinc/13/12/17/175131217.db2.gz MERAMWLFEAAATC-CYBMUJFWSA-N 1 1 292.423 2.586 10 0 CFAEMO CCC[C@@H]([NH2+]C)[C@H](CC)N(CCOC)CC(C)C ZINC000043970297 175131315 /nfs/dbraw/zinc/13/13/15/175131315.db2.gz IYHFQMGJUNLXIC-CABCVRRESA-N 1 1 258.450 2.758 10 0 CFAEMO CN[C@H]1c2ccccc2C[C@@H]1[N@@H+](CC1CC1)C(C)C ZINC000043974280 175132654 /nfs/dbraw/zinc/13/26/54/175132654.db2.gz NMFOLTQVONCYGY-IRXDYDNUSA-N 1 1 258.409 2.992 10 0 CFAEMO C[NH2+][C@H]1c2ccccc2C[C@@H]1N(CC1CC1)C(C)C ZINC000043974280 175132655 /nfs/dbraw/zinc/13/26/55/175132655.db2.gz NMFOLTQVONCYGY-IRXDYDNUSA-N 1 1 258.409 2.992 10 0 CFAEMO CCN[C@@H]1CCC2(C[C@H]1[N@H+](CC(C)C)C(C)C)OCCO2 ZINC000043973960 175132694 /nfs/dbraw/zinc/13/26/94/175132694.db2.gz DTLCKMBYPUTGBL-HZPDHXFCSA-N 1 1 298.471 2.627 10 0 CFAEMO CCN[C@@H]1CCC2(C[C@H]1[N@@H+](CC(C)C)C(C)C)OCCO2 ZINC000043973960 175132696 /nfs/dbraw/zinc/13/26/96/175132696.db2.gz DTLCKMBYPUTGBL-HZPDHXFCSA-N 1 1 298.471 2.627 10 0 CFAEMO CCC[C@H]([NH2+]C)[C@H](CC)N(CCOC)[C@@H](C)C1CC1 ZINC000043977480 175133480 /nfs/dbraw/zinc/13/34/80/175133480.db2.gz RUGBGVFORSTBTC-BPUTZDHNSA-N 1 1 270.461 2.900 10 0 CFAEMO CC[NH2+][C@H]1CCCC[C@@H]1N(CCOC)[C@@H](C)C1CC1 ZINC000043977720 175133541 /nfs/dbraw/zinc/13/35/41/175133541.db2.gz OYNYBYIIZVYJJK-BPUTZDHNSA-N 1 1 268.445 2.654 10 0 CFAEMO CC[NH2+][C@H]1CCC[C@H]1N(CCOC)C(CC)CC ZINC000043977108 175133579 /nfs/dbraw/zinc/13/35/79/175133579.db2.gz AQKCBRQFRMSFGI-LSDHHAIUSA-N 1 1 256.434 2.654 10 0 CFAEMO CCC[NH2+][C@H](C)[C@H](C)N(CCOC)C(CC)CC ZINC000043977308 175133707 /nfs/dbraw/zinc/13/37/07/175133707.db2.gz JKSFEXOPONDUED-KGLIPLIRSA-N 1 1 258.450 2.900 10 0 CFAEMO Cc1cc(C)c([C@@H](O)C[N@H+](C)C2CCN(C)CC2)c(C)c1 ZINC000044121185 175142903 /nfs/dbraw/zinc/14/29/03/175142903.db2.gz PJFUEHFQPCICOG-KRWDZBQOSA-N 1 1 290.451 2.671 10 0 CFAEMO Cc1cc(C)c([C@@H](O)CN(C)C2CC[NH+](C)CC2)c(C)c1 ZINC000044121185 175142904 /nfs/dbraw/zinc/14/29/04/175142904.db2.gz PJFUEHFQPCICOG-KRWDZBQOSA-N 1 1 290.451 2.671 10 0 CFAEMO CCCC[N@@H+](C)C[C@H](O)c1ccccc1OCC ZINC000044123027 175143312 /nfs/dbraw/zinc/14/33/12/175143312.db2.gz PPGLBJCOYHFHLC-AWEZNQCLSA-N 1 1 251.370 2.851 10 0 CFAEMO CCOc1ccccc1[C@@H](O)C[N@@H+](C)C1CCCC1 ZINC000044128774 175144467 /nfs/dbraw/zinc/14/44/67/175144467.db2.gz ZQTMTALOPSFGFY-HNNXBMFYSA-N 1 1 263.381 2.993 10 0 CFAEMO CCOc1ccccc1[C@@H](O)C[N@@H+](C)CC(C)C ZINC000044129876 175144716 /nfs/dbraw/zinc/14/47/16/175144716.db2.gz XDUUJYIRAWWCIM-AWEZNQCLSA-N 1 1 251.370 2.707 10 0 CFAEMO COc1ccc([C@@H](C)O)cc1C[N@@H+](C)CC(C)C ZINC000044129919 175144846 /nfs/dbraw/zinc/14/48/46/175144846.db2.gz WWXHPDWYRFXLGZ-GFCCVEGCSA-N 1 1 251.370 2.836 10 0 CFAEMO CCOc1ccc([C@@H](O)C[N@@H+](C)CC(C)C)cc1 ZINC000044129664 175145096 /nfs/dbraw/zinc/14/50/96/175145096.db2.gz BEVJTRWCGXDKNE-HNNXBMFYSA-N 1 1 251.370 2.707 10 0 CFAEMO Cc1ccc([C@H](O)[C@H](C)[N@@H+](C)Cc2ccccn2)cc1 ZINC000044133552 175145419 /nfs/dbraw/zinc/14/54/19/175145419.db2.gz WBNCBFIXPKJZKU-WMLDXEAASA-N 1 1 270.376 2.944 10 0 CFAEMO C[N@@H+](C[C@H]1CCCCO1)[C@@H]1CCCc2ccccc2[C@@H]1O ZINC000044165661 175147935 /nfs/dbraw/zinc/14/79/35/175147935.db2.gz XATPJMGTEFOTCX-NXHRZFHOSA-N 1 1 289.419 2.926 10 0 CFAEMO CCc1ccc([C@@H](O)C[N@H+](CC)[C@@H](C)COC)cc1 ZINC000044165069 175148026 /nfs/dbraw/zinc/14/80/26/175148026.db2.gz QQRRAZFNCNTIBA-BBRMVZONSA-N 1 1 265.397 2.639 10 0 CFAEMO CC(C)Oc1ccc([C@@H](O)C[N@H+]2CC[C@@H](C)C2)cc1 ZINC000044162711 175148132 /nfs/dbraw/zinc/14/81/32/175148132.db2.gz VDTLARJZRRTAOQ-CJNGLKHVSA-N 1 1 263.381 2.849 10 0 CFAEMO CCCOc1ccc([C@@H](O)C[N@@H+](CC)[C@@H](C)COC)cc1 ZINC000044165155 175148166 /nfs/dbraw/zinc/14/81/66/175148166.db2.gz VSFHFEYDTORIFY-YOEHRIQHSA-N 1 1 295.423 2.866 10 0 CFAEMO CCc1ccc([C@H](O)C[N@H+](CC)[C@@H](C)COC)cc1 ZINC000044165066 175148182 /nfs/dbraw/zinc/14/81/82/175148182.db2.gz 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ZINC000044175753 175150334 /nfs/dbraw/zinc/15/03/34/175150334.db2.gz KBELCHIPTNPTTJ-SDNTUTLCSA-N 1 1 275.392 2.534 10 0 CFAEMO CCCO[C@H]1CCC[N@H+]([C@@H]2Cc3ccccc3[C@@H]2O)C1 ZINC000044179654 175150423 /nfs/dbraw/zinc/15/04/23/175150423.db2.gz DTYQERJQWDBTTF-UAGQMJEPSA-N 1 1 275.392 2.536 10 0 CFAEMO Cc1ccc([C@H](O)[C@H](C)[N@H+]2CCOCC2(C)C)cc1 ZINC000044178267 175150556 /nfs/dbraw/zinc/15/05/56/175150556.db2.gz YECYXUYKWOAOTL-DZGCQCFKSA-N 1 1 263.381 2.528 10 0 CFAEMO CC[N@H+]1CC[C@H](CNc2cccc(C(F)(F)F)n2)C1 ZINC000044271443 175158473 /nfs/dbraw/zinc/15/84/73/175158473.db2.gz DLTXHVQFVCOJAO-SNVBAGLBSA-N 1 1 273.302 2.854 10 0 CFAEMO CC[N@@H+](CCCc1ccccc1)C[C@H](C)C(N)=S ZINC000044413175 175172398 /nfs/dbraw/zinc/17/23/98/175172398.db2.gz UQLQYYFWLMGJBE-ZDUSSCGKSA-N 1 1 264.438 2.863 10 0 CFAEMO NC[C@H]([NH3+])c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000044469300 175177769 /nfs/dbraw/zinc/17/77/69/175177769.db2.gz LYERWHWMFFHUDK-QMMMGPOBSA-N 1 1 272.192 2.683 10 0 CFAEMO Cn1cc([C@H]([NH3+])c2cc3cc(Cl)ccc3o2)cn1 ZINC000044496552 175183352 /nfs/dbraw/zinc/18/33/52/175183352.db2.gz CBGXHNBXGBQDIM-ZDUSSCGKSA-N 1 1 261.712 2.868 10 0 CFAEMO C[N@H+]1CCC[C@@H](CNCc2nc3ccccc3s2)C1 ZINC000044536068 175199041 /nfs/dbraw/zinc/19/90/41/175199041.db2.gz REABBUZTNGLTQQ-LBPRGKRZSA-N 1 1 275.421 2.728 10 0 CFAEMO C[N@@H+]1CCCC[C@H]1CNc1ncccc1Br ZINC000044561310 175204707 /nfs/dbraw/zinc/20/47/07/175204707.db2.gz LALVKDINXGYXAI-JTQLQIEISA-N 1 1 284.201 2.740 10 0 CFAEMO C[N@H+]1CCCC[C@H]1CNc1ncccc1Br ZINC000044561310 175204708 /nfs/dbraw/zinc/20/47/08/175204708.db2.gz LALVKDINXGYXAI-JTQLQIEISA-N 1 1 284.201 2.740 10 0 CFAEMO COc1ccc([C@@H](C)NC[C@H]2CCCC[N@@H+]2C)c(OC)c1 ZINC000044561822 175206069 /nfs/dbraw/zinc/20/60/69/175206069.db2.gz DVXQTEPWGXPDGE-ZIAGYGMSSA-N 1 1 292.423 2.839 10 0 CFAEMO COc1ccc([C@@H](C)NC[C@H]2CCCC[N@H+]2C)c(OC)c1 ZINC000044561822 175206070 /nfs/dbraw/zinc/20/60/70/175206070.db2.gz DVXQTEPWGXPDGE-ZIAGYGMSSA-N 1 1 292.423 2.839 10 0 CFAEMO C[N@H+]1CCCC[C@H]1CNC(=O)c1cc(Cl)ccc1F ZINC000044564379 175207328 /nfs/dbraw/zinc/20/73/28/175207328.db2.gz WCHPVBDVBLYGIV-NSHDSACASA-N 1 1 284.762 2.693 10 0 CFAEMO c1cc2c(s1)CC[NH2+][C@H]2c1nc2ccccc2[nH]1 ZINC000044592847 175213942 /nfs/dbraw/zinc/21/39/42/175213942.db2.gz BCRKDAQNBYRUHN-CYBMUJFWSA-N 1 1 255.346 2.860 10 0 CFAEMO CC[C@@H]([NH2+]C)c1nc2ccc(Br)cc2[nH]1 ZINC000044623947 175220420 /nfs/dbraw/zinc/22/04/20/175220420.db2.gz OKNJIZFBZDDUCF-MRVPVSSYSA-N 1 1 268.158 2.996 10 0 CFAEMO CC[N@H+]1CCc2nc(-c3ccccc3N)sc2C1 ZINC000044732289 175241042 /nfs/dbraw/zinc/24/10/42/175241042.db2.gz AXZDNWOPXIGDBO-UHFFFAOYSA-N 1 1 259.378 2.770 10 0 CFAEMO CC(C)[C@H](CN[C@@H]1CCCc2cc(O)ccc21)[NH+](C)C ZINC000044746905 175242769 /nfs/dbraw/zinc/24/27/69/175242769.db2.gz RYFFUIDXWIGESX-SJORKVTESA-N 1 1 276.424 2.945 10 0 CFAEMO COCC[C@](C)(CN)[N@H+](Cc1cccs1)C(C)C ZINC000045043565 175295788 /nfs/dbraw/zinc/29/57/88/175295788.db2.gz OIUPGXYJSKMRDW-CQSZACIVSA-N 1 1 270.442 2.712 10 0 CFAEMO COCC[C@](C)(CN)[N@@H+](Cc1cccs1)C(C)C ZINC000045043565 175295789 /nfs/dbraw/zinc/29/57/89/175295789.db2.gz OIUPGXYJSKMRDW-CQSZACIVSA-N 1 1 270.442 2.712 10 0 CFAEMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C)c(N)c1 ZINC000045064619 175299349 /nfs/dbraw/zinc/29/93/49/175299349.db2.gz RETMDBPUWUMHDD-LLVKDONJSA-N 1 1 293.411 2.582 10 0 CFAEMO COc1ccc(NC(=O)CC[N@@H+](C)CC(C)(C)C)c(N)c1 ZINC000045064673 175299642 /nfs/dbraw/zinc/29/96/42/175299642.db2.gz BYLQPYWDIHEDCQ-UHFFFAOYSA-N 1 1 293.411 2.584 10 0 CFAEMO CN[C@@H](C[N@H+](C)CC(C)(C)C)c1ccc(OC)cc1 ZINC000045072400 175302095 /nfs/dbraw/zinc/30/20/95/175302095.db2.gz WSDSQIRCTITKAI-HNNXBMFYSA-N 1 1 264.413 2.934 10 0 CFAEMO CN[C@@H](C[N@@H+](C)CC(C)(C)C)c1ccc(OC)cc1 ZINC000045072400 175302096 /nfs/dbraw/zinc/30/20/96/175302096.db2.gz WSDSQIRCTITKAI-HNNXBMFYSA-N 1 1 264.413 2.934 10 0 CFAEMO C[N@@H+](Cc1ccc(C(N)=S)cc1F)CC(C)(C)C ZINC000045073881 175302657 /nfs/dbraw/zinc/30/26/57/175302657.db2.gz CBZYVWMWHIIDJR-UHFFFAOYSA-N 1 1 268.401 2.938 10 0 CFAEMO C[N@@H+](C[C@@H](O)c1ccc2c(c1)OCCCO2)CC(C)(C)C ZINC000045087168 175304241 /nfs/dbraw/zinc/30/42/41/175304241.db2.gz RBGCGAQUJQKHHU-CQSZACIVSA-N 1 1 293.407 2.859 10 0 CFAEMO CC(C)[N@H+]1CC[C@@H](CNc2ccc(N)c3cccnc23)C1 ZINC000045118552 175311484 /nfs/dbraw/zinc/31/14/84/175311484.db2.gz LEOQTZOQHKBBMT-ZDUSSCGKSA-N 1 1 284.407 2.959 10 0 CFAEMO C[C@@H](C(N)=S)[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000045147098 175317186 /nfs/dbraw/zinc/31/71/86/175317186.db2.gz VMXHRGJBBNPSEC-ZETCQYMHSA-N 1 1 260.765 2.586 10 0 CFAEMO Cc1nn(C)c(C)c1[C@@H](C)NC[C@@H](CC(C)C)[NH+](C)C ZINC000045168906 175319780 /nfs/dbraw/zinc/31/97/80/175319780.db2.gz BPFLMEJCXZSTTA-IUODEOHRSA-N 1 1 280.460 2.664 10 0 CFAEMO Cc1nn(C)c(C)c1[C@@H](C)NC[C@H](C)[NH+]1CCCCC1 ZINC000045171909 175320959 /nfs/dbraw/zinc/32/09/59/175320959.db2.gz JKGQTLRPYIJRIS-QWHCGFSZSA-N 1 1 278.444 2.562 10 0 CFAEMO CCn1nc(C)c([C@H](C)NC2CC[NH+](C3CC3)CC2)c1C ZINC000045171150 175321249 /nfs/dbraw/zinc/32/12/49/175321249.db2.gz DQGSCCIHJBYGFE-LBPRGKRZSA-N 1 1 290.455 2.797 10 0 CFAEMO CC[N@@H+](CC[C@@](C)(NC(C)C)C(=O)OC)C1CCCCC1 ZINC000045224166 175332125 /nfs/dbraw/zinc/33/21/25/175332125.db2.gz FRIBGWJYJAUPPD-QGZVFWFLSA-N 1 1 298.471 2.961 10 0 CFAEMO CCOC(=O)[C@@](C)(CC[N@@H+]1[C@H](C)CCC[C@@H]1C)NC(C)C ZINC000045231973 175335863 /nfs/dbraw/zinc/33/58/63/175335863.db2.gz OTYOOIJKBGZGSF-HLLBOEOZSA-N 1 1 298.471 2.959 10 0 CFAEMO CCCN[C@@](C)(C[N@H+]1CCCC[C@@H]1CC)C(=O)OCC ZINC000045265855 175339088 /nfs/dbraw/zinc/33/90/88/175339088.db2.gz BALBIKVQAAFIQE-HOCLYGCPSA-N 1 1 284.444 2.572 10 0 CFAEMO CCCN[C@](C)(CC[N@@H+](CC)[C@@H](C)CC)C(=O)OCC ZINC000045266606 175339099 /nfs/dbraw/zinc/33/90/99/175339099.db2.gz MACJQCDVYLSDND-GOEBONIOSA-N 1 1 286.460 2.818 10 0 CFAEMO CCC[N@@H+](CC[C@](C)(NC(C)C)C(=O)OCC)C(C)C ZINC000045266967 175339445 /nfs/dbraw/zinc/33/94/45/175339445.db2.gz RZQUPRWANUELHC-INIZCTEOSA-N 1 1 286.460 2.817 10 0 CFAEMO CCCCC[N@@H+](C)CC[C@@](C)(NC(C)C)C(=O)OCC ZINC000045268269 175340359 /nfs/dbraw/zinc/34/03/59/175340359.db2.gz GNJPSTFDXUHWJA-MRXNPFEDSA-N 1 1 286.460 2.818 10 0 CFAEMO CCOC(=O)[C@](C)(C[N@@H+](CC)C1CCCC1)NC(C)C ZINC000045269240 175340921 /nfs/dbraw/zinc/34/09/21/175340921.db2.gz DVQCSOLOIYMCRP-INIZCTEOSA-N 1 1 284.444 2.571 10 0 CFAEMO CCN[C@@](C)(C[N@H+]1CCC[C@@H]1C1CCCC1)C(=O)OCC ZINC000045277371 175347020 /nfs/dbraw/zinc/34/70/20/175347020.db2.gz DWDQGPREROPNRN-WBVHZDCISA-N 1 1 296.455 2.572 10 0 CFAEMO CCC[NH2+][C@](C)(CC[N@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000045277395 175347424 /nfs/dbraw/zinc/34/74/24/175347424.db2.gz RSJWBLCXVBBFAM-NVXWUHKLSA-N 1 1 296.455 2.874 10 0 CFAEMO CCCCC[N@@H+](C[C@@](C)(NCCC)C(=O)OC)C(C)C ZINC000045278573 175347975 /nfs/dbraw/zinc/34/79/75/175347975.db2.gz NFAUDPDLQNIBNJ-MRXNPFEDSA-N 1 1 286.460 2.818 10 0 CFAEMO CCOC(=O)[C@](C)(C[N@@H+](C)[C@@H]1CCCC[C@@H]1C)NC1CC1 ZINC000045279052 175349601 /nfs/dbraw/zinc/34/96/01/175349601.db2.gz UGLYDLGNAVYGLK-LXZKKBNFSA-N 1 1 296.455 2.571 10 0 CFAEMO CCOC(=O)[C@](C)(C[N@@H+](C)[C@@H]1CCCC[C@@H]1C)NC(C)C ZINC000045279037 175349692 /nfs/dbraw/zinc/34/96/92/175349692.db2.gz UBMJJGPCNPUTQS-UXLLHSPISA-N 1 1 298.471 2.817 10 0 CFAEMO COC(=O)[C@](C)(CC[N@@H+](CC(C)C)C(C)C)NC(C)C ZINC000045280780 175351304 /nfs/dbraw/zinc/35/13/04/175351304.db2.gz TUSHMWTWOKZAFW-INIZCTEOSA-N 1 1 286.460 2.673 10 0 CFAEMO CCCC[N@H+](CC)CCCC[C@](C)(N)C(=O)OCC ZINC000045370435 175364383 /nfs/dbraw/zinc/36/43/83/175364383.db2.gz DQDYCBLDWNYNLL-HNNXBMFYSA-N 1 1 272.433 2.559 10 0 CFAEMO CCCC[N@@H+](CC)CCCC[C@](C)(N)C(=O)OCC ZINC000045370435 175364385 /nfs/dbraw/zinc/36/43/85/175364385.db2.gz DQDYCBLDWNYNLL-HNNXBMFYSA-N 1 1 272.433 2.559 10 0 CFAEMO CCCN[C@](C)(CCC[N@H+]1CCCC[C@@H]1C)C(=O)OCC ZINC000045376160 175366299 /nfs/dbraw/zinc/36/62/99/175366299.db2.gz AKAQOIJWBZFZEL-DOTOQJQBSA-N 1 1 298.471 2.962 10 0 CFAEMO CCN[C@](C)(CCCC[N@@H+]1[C@H](C)CCC[C@@H]1C)C(=O)OC ZINC000045379608 175368164 /nfs/dbraw/zinc/36/81/64/175368164.db2.gz FAJCZFDLBQWQBB-HLLBOEOZSA-N 1 1 298.471 2.961 10 0 CFAEMO CCOC(=O)[C@](C)(N)CCCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000045379572 175368235 /nfs/dbraw/zinc/36/82/35/175368235.db2.gz JNKPSXFCAHLJOH-IJEWVQPXSA-N 1 1 284.444 2.700 10 0 CFAEMO CCN[C@@](C)(CCC[N@@H+](C)C1CCCCC1)C(=O)OC ZINC000045379143 175368455 /nfs/dbraw/zinc/36/84/55/175368455.db2.gz PQIXPRKZUIMAPH-INIZCTEOSA-N 1 1 284.444 2.572 10 0 CFAEMO CCOC(=O)[C@@](C)(N)CCCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000045379574 175368582 /nfs/dbraw/zinc/36/85/82/175368582.db2.gz JNKPSXFCAHLJOH-LZWOXQAQSA-N 1 1 284.444 2.700 10 0 CFAEMO CCCN[C@](C)(CCC[N@@H+]1[C@H](C)CCC[C@@H]1C)C(=O)OC ZINC000045379737 175369306 /nfs/dbraw/zinc/36/93/06/175369306.db2.gz ZJYPCLPJBOMTIC-HLLBOEOZSA-N 1 1 298.471 2.961 10 0 CFAEMO CCN[C@@](C)(CCC[N@@H+](CC)CC(C)C)C(=O)OCC ZINC000045381827 175369817 /nfs/dbraw/zinc/36/98/17/175369817.db2.gz UORQOZMJDBZNLV-INIZCTEOSA-N 1 1 286.460 2.676 10 0 CFAEMO CCCN[C@](C)(CCC[N@H+]1CCCC[C@@H]1CC)C(=O)OC ZINC000045384321 175370628 /nfs/dbraw/zinc/37/06/28/175370628.db2.gz FWCFQBRUZRVWPR-DOTOQJQBSA-N 1 1 298.471 2.962 10 0 CFAEMO CCOC(=O)[C@](C)(CCCC[N@H+]1CCCC[C@@H]1CC)NC ZINC000045384132 175370693 /nfs/dbraw/zinc/37/06/93/175370693.db2.gz UAJLDNVKUWWJFD-RDJZCZTQSA-N 1 1 298.471 2.962 10 0 CFAEMO CCCN[C@@](C)(CCCC[N@@H+](CC)C(C)C)C(=O)OC ZINC000045383679 175371081 /nfs/dbraw/zinc/37/10/81/175371081.db2.gz SZHIVPKEJNDQOF-INIZCTEOSA-N 1 1 286.460 2.818 10 0 CFAEMO CCC[N@@H+](CCC[C@@](C)(NC1CC1)C(=O)OCC)C(C)C ZINC000045386089 175371731 /nfs/dbraw/zinc/37/17/31/175371731.db2.gz KKUCWFRNJPGAJP-QGZVFWFLSA-N 1 1 298.471 2.961 10 0 CFAEMO C[N@@H+](CCCC[C@](C)([NH2+]C1CC1)C(=O)[O-])C1CCCC1 ZINC000045384635 175371805 /nfs/dbraw/zinc/37/18/05/175371805.db2.gz OSYBDBKMGGUMOY-INIZCTEOSA-N 1 1 282.428 2.626 10 0 CFAEMO CCN[C@@](C)(CCCC[N@@H+](CC)[C@@H](C)CC)C(=O)OC ZINC000045385302 175372341 /nfs/dbraw/zinc/37/23/41/175372341.db2.gz KHZPWDSWCLWTHI-HOCLYGCPSA-N 1 1 286.460 2.818 10 0 CFAEMO CCCN[C@@](C)(CCC[N@@H+](CC)C1CC1)C(=O)OCC ZINC000045386572 175373013 /nfs/dbraw/zinc/37/30/13/175373013.db2.gz KVZMRHKAXVCQLP-INIZCTEOSA-N 1 1 284.444 2.572 10 0 CFAEMO CCC[N@@H+](CC)CCCC[C@](C)(NC(C)C)C(=O)OC ZINC000045386949 175373349 /nfs/dbraw/zinc/37/33/49/175373349.db2.gz HZVRMNSEQZKXCV-INIZCTEOSA-N 1 1 286.460 2.818 10 0 CFAEMO CCCN[C@@](C)(CCC[N@@H+](CCC)C1CC1)C(=O)OC ZINC000045387618 175373693 /nfs/dbraw/zinc/37/36/93/175373693.db2.gz AVFVJCYDRUSLDB-INIZCTEOSA-N 1 1 284.444 2.572 10 0 CFAEMO CCCCC[N@H+](C)CCCC[C@](C)(N)C(=O)OCC ZINC000045387934 175374094 /nfs/dbraw/zinc/37/40/94/175374094.db2.gz WAMFVJXNEATHKO-HNNXBMFYSA-N 1 1 272.433 2.559 10 0 CFAEMO CCCCC[N@@H+](C)CCCC[C@](C)(N)C(=O)OCC ZINC000045387934 175374095 /nfs/dbraw/zinc/37/40/95/175374095.db2.gz WAMFVJXNEATHKO-HNNXBMFYSA-N 1 1 272.433 2.559 10 0 CFAEMO CCCN[C@](C)(CCC[N@@H+](CC)C1CCCC1)C(=O)OC ZINC000045390641 175374331 /nfs/dbraw/zinc/37/43/31/175374331.db2.gz JBHDJQMSTAICCH-QGZVFWFLSA-N 1 1 298.471 2.962 10 0 CFAEMO CCOC(=O)[C@@](C)(CCC[N@@H+](CC)C1CCCC1)NC ZINC000045390602 175374504 /nfs/dbraw/zinc/37/45/04/175374504.db2.gz XTEHJRNWHNUCMV-MRXNPFEDSA-N 1 1 284.444 2.572 10 0 CFAEMO COC(=O)[C@](C)(CCCC[N@@H+](C)[C@@H](C)C1CC1)NC(C)C ZINC000045392898 175375632 /nfs/dbraw/zinc/37/56/32/175375632.db2.gz TZNKZSYYDNOCPP-YOEHRIQHSA-N 1 1 298.471 2.817 10 0 CFAEMO CN[C@@](C)(CCCC[N@@H+](C)[C@@H](C)C(C)(C)C)C(=O)OC ZINC000045420987 175380045 /nfs/dbraw/zinc/38/00/45/175380045.db2.gz SVVXQTNPQVCLHS-BBRMVZONSA-N 1 1 286.460 2.674 10 0 CFAEMO COc1ccc(-c2noc([C@@H]([NH3+])CC(C)C)n2)cc1F ZINC000070458810 175941533 /nfs/dbraw/zinc/94/15/33/175941533.db2.gz CQGBHOUMTZBKGS-NSHDSACASA-N 1 1 279.315 2.930 10 0 CFAEMO [NH3+][C@@H](CCc1nc2ccncc2[nH]1)c1ccccc1 ZINC000071166670 176048900 /nfs/dbraw/zinc/04/89/00/176048900.db2.gz XNLFISGOPQFGBA-LBPRGKRZSA-N 1 1 252.321 2.591 10 0 CFAEMO [NH3+][C@@H](CCc1nc2cnccc2[nH]1)c1ccccc1 ZINC000071166670 176048901 /nfs/dbraw/zinc/04/89/01/176048901.db2.gz 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ZINC000126068943 642949138 /nfs/dbraw/zinc/94/91/38/642949138.db2.gz YGMITUMIZBUMBP-KRWDZBQOSA-N 1 1 268.360 2.922 10 0 CFAEMO C[C@@H]1CC[C@@H](C(=O)OCCC[N@@H+](C)Cc2ccccc2)O1 ZINC000126361986 643181100 /nfs/dbraw/zinc/18/11/00/643181100.db2.gz DMRQFGQVAAFPQE-ZBFHGGJFSA-N 1 1 291.391 2.619 10 0 CFAEMO C[C@H](N[C@H]1CCC[C@@H]1C[NH3+])c1cc(F)ccc1F ZINC000089148268 650828361 /nfs/dbraw/zinc/82/83/61/650828361.db2.gz FELINMMEVDMZOR-RBZYPMLTSA-N 1 1 254.324 2.743 10 0 CFAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccnc(Cl)c1 ZINC000246467380 650870249 /nfs/dbraw/zinc/87/02/49/650870249.db2.gz GMMQUJMMGVHPIV-KBPBESRZSA-N 1 1 279.815 2.794 10 0 CFAEMO S=c1oc2ccccc2n1CN1CC[N@H+]2CCC[C@H]2C1 ZINC000247087279 650897624 /nfs/dbraw/zinc/89/76/24/650897624.db2.gz NQSYMQBCADQNOM-LBPRGKRZSA-N 1 1 289.404 2.701 10 0 CFAEMO Cc1cc(C)cc([C@H](O)CN2CC[N@H+]3CCCC[C@H]3C2)c1 ZINC000248368947 650931639 /nfs/dbraw/zinc/93/16/39/650931639.db2.gz VTISZVQXSJNLLS-ZWKOTPCHSA-N 1 1 288.435 2.507 10 0 CFAEMO Cc1cc(C)cc([C@H](O)C[N@@H+]2CCN3CCCC[C@H]3C2)c1 ZINC000248368947 650931641 /nfs/dbraw/zinc/93/16/41/650931641.db2.gz VTISZVQXSJNLLS-ZWKOTPCHSA-N 1 1 288.435 2.507 10 0 CFAEMO Cc1cc(C)cc([C@H](O)C[N@H+]2CCN3CCCC[C@H]3C2)c1 ZINC000248368947 650931643 /nfs/dbraw/zinc/93/16/43/650931643.db2.gz VTISZVQXSJNLLS-ZWKOTPCHSA-N 1 1 288.435 2.507 10 0 CFAEMO COC(=O)[C@H]1C[N@@H+](Cc2ccccc2Cl)C[C@H]1C ZINC000094996862 650967231 /nfs/dbraw/zinc/96/72/31/650967231.db2.gz JNLDBHRIYXJCMW-PWSUYJOCSA-N 1 1 267.756 2.581 10 0 CFAEMO CCc1cnccc1-c1noc([C@H]([NH3+])CC(C)C)n1 ZINC000130197325 645469296 /nfs/dbraw/zinc/46/92/96/645469296.db2.gz MXDYSUXBYGOQQM-GFCCVEGCSA-N 1 1 260.341 2.740 10 0 CFAEMO O[C@]12CCCC[C@H]1C[N@@H+](CCSC(F)(F)F)CC2 ZINC000128048351 647865797 /nfs/dbraw/zinc/86/57/97/647865797.db2.gz RLCJYXRMZFEUCQ-QWRGUYRKSA-N 1 1 283.359 2.866 10 0 CFAEMO CC(=O)[C@H]1CCC[N@@H+](CCCCC2CCOCC2)C1 ZINC000305895335 651086573 /nfs/dbraw/zinc/08/65/73/651086573.db2.gz FKCNQPIFHVHSKB-INIZCTEOSA-N 1 1 267.413 2.884 10 0 CFAEMO CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1c1cccc(F)c1F ZINC000095752161 185025272 /nfs/dbraw/zinc/02/52/72/185025272.db2.gz WRSIRLAVOSGSQT-GFCCVEGCSA-N 1 1 298.333 2.846 10 0 CFAEMO Brc1cccc(CCc2[nH]cc[nH+]2)c1 ZINC000082555401 178090372 /nfs/dbraw/zinc/09/03/72/178090372.db2.gz QAWMBTCYZGXLGJ-UHFFFAOYSA-N 1 1 251.127 2.957 10 0 CFAEMO Cc1nc(C[NH3+])[nH]c1-c1cc(Br)cs1 ZINC000082577208 178117587 /nfs/dbraw/zinc/11/75/87/178117587.db2.gz JHNRKPRGQHVESO-UHFFFAOYSA-N 1 1 272.171 2.668 10 0 CFAEMO Cc1ccc(CN2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1C ZINC000082729005 178246026 /nfs/dbraw/zinc/24/60/26/178246026.db2.gz ZARRIMINPMVMKJ-IAGOWNOFSA-N 1 1 258.409 2.877 10 0 CFAEMO Cc1[nH+]c(N)ccc1-c1cnn(Cc2ccccc2)c1 ZINC000082730190 178247304 /nfs/dbraw/zinc/24/73/04/178247304.db2.gz CBBVMWQRXYFKLW-UHFFFAOYSA-N 1 1 264.332 2.884 10 0 CFAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](C)c1ccccc1 ZINC000127824211 187335683 /nfs/dbraw/zinc/33/56/83/187335683.db2.gz YTBOPPDEIDNRLZ-HOCLYGCPSA-N 1 1 274.408 2.733 10 0 CFAEMO CC[N@H+]1CCC[C@@H](Nc2nc3ccc(N)cc3s2)C1 ZINC000063103917 539339665 /nfs/dbraw/zinc/33/96/65/539339665.db2.gz OSWCJJFPQVDGEU-LLVKDONJSA-N 1 1 276.409 2.775 10 0 CFAEMO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1cc(Cl)ccc1F ZINC000295084445 199336143 /nfs/dbraw/zinc/33/61/43/199336143.db2.gz SLKSVASJNAVUTR-RNCFNFMXSA-N 1 1 257.736 2.824 10 0 CFAEMO C[C@@H]1[C@@H](O)CCC[N@H+]1Cc1cc(Cl)ccc1F ZINC000295084445 199336145 /nfs/dbraw/zinc/33/61/45/199336145.db2.gz SLKSVASJNAVUTR-RNCFNFMXSA-N 1 1 257.736 2.824 10 0 CFAEMO CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@H](O)COCc1ccccc1 ZINC000075021804 347048633 /nfs/dbraw/zinc/04/86/33/347048633.db2.gz SDMCPYQAFBJLAP-OIISXLGYSA-N 1 1 277.408 2.685 10 0 CFAEMO Cc1cnn(C[C@@H]2C[N@H+](Cc3cc(C)ccc3C)CCO2)c1 ZINC000106198756 232189077 /nfs/dbraw/zinc/18/90/77/232189077.db2.gz DRTZLAQLPRYLMP-SFHVURJKSA-N 1 1 299.418 2.709 10 0 CFAEMO Cc1cnn(C[C@@H]2C[N@@H+](Cc3cc(C)ccc3C)CCO2)c1 ZINC000106198756 232189079 /nfs/dbraw/zinc/18/90/79/232189079.db2.gz DRTZLAQLPRYLMP-SFHVURJKSA-N 1 1 299.418 2.709 10 0 CFAEMO Cc1cnn([C@@H]2CCC[N@@H+](C[Si](C)(C)C)C2)c1 ZINC000171746690 232267276 /nfs/dbraw/zinc/26/72/76/232267276.db2.gz KHVMWAHXBNSKGP-CYBMUJFWSA-N 1 1 251.450 2.706 10 0 CFAEMO CC(C)(C)c1ccc(Cc2c[nH+]c(N)nc2N)cc1 ZINC000019729612 346242442 /nfs/dbraw/zinc/24/24/42/346242442.db2.gz XWBFOGIXMGLISY-UHFFFAOYSA-N 1 1 256.353 2.529 10 0 CFAEMO Cc1ccc(CSc2nnc([C@H](C)[NH3+])o2)cc1C ZINC000040173887 346345423 /nfs/dbraw/zinc/34/54/23/346345423.db2.gz NEQPMGCLHJZNFX-JTQLQIEISA-N 1 1 263.366 2.998 10 0 CFAEMO COC(=O)CC[N@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1 ZINC000039174253 346341161 /nfs/dbraw/zinc/34/11/61/346341161.db2.gz GICDBOAWMRHEEO-SUMWQHHRSA-N 1 1 291.391 2.555 10 0 CFAEMO CC(C)(C)C[N@H+]1CCN2C(=O)N(C3CCCCC3)C[C@H]2C1 ZINC000085436205 179063190 /nfs/dbraw/zinc/06/31/90/179063190.db2.gz PFWHABJQOYVRSR-OAHLLOKOSA-N 1 1 293.455 2.787 10 0 CFAEMO c1cc(C[NH+]2CCC(c3nc(C4CC4)n[nH]3)CC2)co1 ZINC000065287300 346732806 /nfs/dbraw/zinc/73/28/06/346732806.db2.gz PSGJTXWDWLXYQZ-UHFFFAOYSA-N 1 1 272.352 2.655 10 0 CFAEMO Cn1cc([C@@H]2CC[N@H+](Cc3cc(F)c(F)c(F)c3)C2)cn1 ZINC000128465246 187372529 /nfs/dbraw/zinc/37/25/29/187372529.db2.gz FXCWTVCCNFAAIU-LLVKDONJSA-N 1 1 295.308 2.827 10 0 CFAEMO Cn1cc([C@@H]2CC[N@@H+](Cc3cc(F)c(F)c(F)c3)C2)cn1 ZINC000128465246 187372530 /nfs/dbraw/zinc/37/25/30/187372530.db2.gz FXCWTVCCNFAAIU-LLVKDONJSA-N 1 1 295.308 2.827 10 0 CFAEMO CC(C)[C@H](C)NC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000079122446 347290583 /nfs/dbraw/zinc/29/05/83/347290583.db2.gz FQCWEORFHSUTBJ-KGLIPLIRSA-N 1 1 269.433 2.595 10 0 CFAEMO Cc1ccc(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cn1 ZINC000153937633 539559793 /nfs/dbraw/zinc/55/97/93/539559793.db2.gz IRSIEYQLLBCFEV-CVEARBPZSA-N 1 1 260.381 2.517 10 0 CFAEMO CC[C@@H](CC(=O)N[C@H]1CCC[N@@H+](CC)C1)C(C)C ZINC000104861285 347726694 /nfs/dbraw/zinc/72/66/94/347726694.db2.gz ZITBYRFLNKJGIE-KBPBESRZSA-N 1 1 254.418 2.659 10 0 CFAEMO COC(=O)c1ccc(C2([NH2+]Cc3ccccn3)CC2)cc1 ZINC000115384579 347779710 /nfs/dbraw/zinc/77/97/10/347779710.db2.gz UPEHMAIYZFHTBZ-UHFFFAOYSA-N 1 1 282.343 2.647 10 0 CFAEMO CC[C@H]1CCC[C@H]([N@H+]2CCCC3(C2)OCCO3)C1 ZINC000134010781 347894661 /nfs/dbraw/zinc/89/46/61/347894661.db2.gz WNGHMVLACQULIM-KBPBESRZSA-N 1 1 253.386 2.794 10 0 CFAEMO COC(=O)c1ccc(C[N@@H+]2CCS[C@@H](C)C2)c(F)c1 ZINC000135385286 347906143 /nfs/dbraw/zinc/90/61/43/347906143.db2.gz HVGSPUVHONMTEJ-JTQLQIEISA-N 1 1 283.368 2.550 10 0 CFAEMO COC(=O)c1ccc(C[N@H+]2CCS[C@@H](C)C2)c(F)c1 ZINC000135385286 347906145 /nfs/dbraw/zinc/90/61/45/347906145.db2.gz HVGSPUVHONMTEJ-JTQLQIEISA-N 1 1 283.368 2.550 10 0 CFAEMO [NH3+]C[C@]1(c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000150029169 347954401 /nfs/dbraw/zinc/95/44/01/347954401.db2.gz ZGHAWIXJFKZUPF-GOSISDBHSA-N 1 1 266.388 2.789 10 0 CFAEMO CCC[NH+]1CCC([N@H+]2CCC[C@@](CCC)(C(=O)[O-])C2)CC1 ZINC000086785287 179332522 /nfs/dbraw/zinc/33/25/22/179332522.db2.gz VHMUKPWYFBKIAF-QGZVFWFLSA-N 1 1 296.455 2.828 10 0 CFAEMO Cc1[nH+]ccn1-c1ncc(Cl)cc1Br ZINC000162846185 348032049 /nfs/dbraw/zinc/03/20/49/348032049.db2.gz QKLQOMOTMCAJBO-UHFFFAOYSA-N 1 1 272.533 2.992 10 0 CFAEMO Cc1c[nH+]c(CCNC(=O)Cc2ccccc2)n1C1CCC1 ZINC000169787965 348052394 /nfs/dbraw/zinc/05/23/94/348052394.db2.gz QTOBZZLMEIJXRR-UHFFFAOYSA-N 1 1 297.402 2.818 10 0 CFAEMO COc1cc(N[C@H]2CCC[N@@H+](C)CC2)ccc1NC(C)=O ZINC000086817534 179345245 /nfs/dbraw/zinc/34/52/45/179345245.db2.gz ASDOUBJGFILEMS-ZDUSSCGKSA-N 1 1 291.395 2.550 10 0 CFAEMO COc1ccc([C@@H](C)N[C@@H]2CCC[N@@H+](C)CC2)c(OC)c1 ZINC000086817572 179346057 /nfs/dbraw/zinc/34/60/57/179346057.db2.gz DXGVOERDBDRIPF-ZIAGYGMSSA-N 1 1 292.423 2.839 10 0 CFAEMO Cc1ccccc1C[C@H](C)[NH2+][C@H]1CCCN(C)CC1 ZINC000086818708 179346530 /nfs/dbraw/zinc/34/65/30/179346530.db2.gz IEFIPSHAECDESE-RDJZCZTQSA-N 1 1 260.425 3.000 10 0 CFAEMO C[N@H+]1CCC[C@@H](Nc2ccc(-c3cc[nH]n3)cc2)CC1 ZINC000086818308 179346554 /nfs/dbraw/zinc/34/65/54/179346554.db2.gz WYSOWMIQICHDBC-CQSZACIVSA-N 1 1 270.380 2.973 10 0 CFAEMO C[C@@H](N[C@H]1CCC[N@@H+](C)CC1)c1ccccc1F ZINC000086818634 179346746 /nfs/dbraw/zinc/34/67/46/179346746.db2.gz CYCIRGFMGFTKAD-OLZOCXBDSA-N 1 1 250.361 2.961 10 0 CFAEMO C[C@@H]([NH2+][C@H]1CCCN(C)CC1)c1ccccc1F ZINC000086818634 179346752 /nfs/dbraw/zinc/34/67/52/179346752.db2.gz CYCIRGFMGFTKAD-OLZOCXBDSA-N 1 1 250.361 2.961 10 0 CFAEMO CC[N@H+]1CCC[C@@H](Nc2ccc3c(c2)OCO3)CC1 ZINC000086835994 179350678 /nfs/dbraw/zinc/35/06/78/179350678.db2.gz UHOMNYVPUILQGB-GFCCVEGCSA-N 1 1 262.353 2.702 10 0 CFAEMO CC[N@H+]1CCC[C@H](N[C@@H]2CCOc3ccccc32)CC1 ZINC000086839176 179351110 /nfs/dbraw/zinc/35/11/10/179351110.db2.gz MOCZATAJDZXGJZ-GOEBONIOSA-N 1 1 274.408 2.974 10 0 CFAEMO CC[N@H+]1CCC[C@H](Nc2cccnc2N2CCCC2)CC1 ZINC000086837813 179352119 /nfs/dbraw/zinc/35/21/19/179352119.db2.gz HYWTVQMJWSWKIQ-HNNXBMFYSA-N 1 1 288.439 2.968 10 0 CFAEMO CC[N@H+]1CCC[C@H]([NH+](C)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000086868558 179360314 /nfs/dbraw/zinc/36/03/14/179360314.db2.gz BZLIGMDERMEWSL-INIZCTEOSA-N 1 1 290.407 2.691 10 0 CFAEMO CC[NH+]1CCC[C@H]([N@H+](C)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000086868558 179360315 /nfs/dbraw/zinc/36/03/15/179360315.db2.gz BZLIGMDERMEWSL-INIZCTEOSA-N 1 1 290.407 2.691 10 0 CFAEMO CC[NH+]1CCC[C@H]([N@@H+](C)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000086868558 179360318 /nfs/dbraw/zinc/36/03/18/179360318.db2.gz BZLIGMDERMEWSL-INIZCTEOSA-N 1 1 290.407 2.691 10 0 CFAEMO CCCN1CCC[C@@](CC(=O)OCC)([NH+](CC)CC)CC1 ZINC000086868550 179360857 /nfs/dbraw/zinc/36/08/57/179360857.db2.gz WQAUMWYZYIXJLE-QGZVFWFLSA-N 1 1 298.471 2.916 10 0 CFAEMO CC(C)[N@H+]1CCC[C@H]([NH+](CCC(=O)[O-])C(C)(C)C)CC1 ZINC000086868804 179361188 /nfs/dbraw/zinc/36/11/88/179361188.db2.gz BLXVVJHYMMVLPM-AWEZNQCLSA-N 1 1 284.444 2.825 10 0 CFAEMO CC(C)[NH+]1CCC[C@H]([N@H+](CCC(=O)[O-])C(C)(C)C)CC1 ZINC000086868804 179361192 /nfs/dbraw/zinc/36/11/92/179361192.db2.gz BLXVVJHYMMVLPM-AWEZNQCLSA-N 1 1 284.444 2.825 10 0 CFAEMO CC(C)[NH+]1CCC[C@H]([N@@H+](CCC(=O)[O-])C(C)(C)C)CC1 ZINC000086868804 179361193 /nfs/dbraw/zinc/36/11/93/179361193.db2.gz BLXVVJHYMMVLPM-AWEZNQCLSA-N 1 1 284.444 2.825 10 0 CFAEMO CC(C)[N@H+]1CCC[C@@H]([NH+](CC(=O)[O-])C2CCCC2)CC1 ZINC000086868793 179361379 /nfs/dbraw/zinc/36/13/79/179361379.db2.gz CNHBFKXQXHXDOB-OAHLLOKOSA-N 1 1 282.428 2.579 10 0 CFAEMO CC(C)[NH+]1CCC[C@@H]([N@H+](CC(=O)[O-])C2CCCC2)CC1 ZINC000086868793 179361381 /nfs/dbraw/zinc/36/13/81/179361381.db2.gz CNHBFKXQXHXDOB-OAHLLOKOSA-N 1 1 282.428 2.579 10 0 CFAEMO CC(C)[NH+]1CCC[C@@H]([N@@H+](CC(=O)[O-])C2CCCC2)CC1 ZINC000086868793 179361384 /nfs/dbraw/zinc/36/13/84/179361384.db2.gz CNHBFKXQXHXDOB-OAHLLOKOSA-N 1 1 282.428 2.579 10 0 CFAEMO CC1=[N+](O)[C@@](C)(c2ccc(C)cc2)[N+]([O-])=C1c1ccccc1 ZINC000225412401 348177448 /nfs/dbraw/zinc/17/74/48/348177448.db2.gz HJBZIJGTDHMTDM-GOSISDBHSA-N 1 1 296.370 2.935 10 0 CFAEMO CCCC1(C(=O)[O-])CC[NH+]([C@H]2CCC[N@@H+](CC)CC2)CC1 ZINC000086869081 179362118 /nfs/dbraw/zinc/36/21/18/179362118.db2.gz QJKBEUDRAGNAAJ-HNNXBMFYSA-N 1 1 296.455 2.828 10 0 CFAEMO CCC[N@H+]1CCC[C@@H]([NH+]2CCC(CCC(=O)[O-])CC2)CC1 ZINC000086868881 179362757 /nfs/dbraw/zinc/36/27/57/179362757.db2.gz DKCHICOMYGOAHH-MRXNPFEDSA-N 1 1 296.455 2.828 10 0 CFAEMO Cc1[nH+]ccn1-c1ncccc1N[C@@H]1CCCOCC1 ZINC000086873506 179364810 /nfs/dbraw/zinc/36/48/10/179364810.db2.gz IQXPKLLLZSBVOM-CYBMUJFWSA-N 1 1 272.352 2.557 10 0 CFAEMO CCC[N@@H+]1CCC[C@H](N2CCc3c(N)cccc3C2)CC1 ZINC000086850814 179358285 /nfs/dbraw/zinc/35/82/85/179358285.db2.gz RNWLKJLASMBBBR-INIZCTEOSA-N 1 1 287.451 2.891 10 0 CFAEMO CCC[N@H+]1CCC[C@H](N2CCc3c(N)cccc3C2)CC1 ZINC000086850814 179358286 /nfs/dbraw/zinc/35/82/86/179358286.db2.gz RNWLKJLASMBBBR-INIZCTEOSA-N 1 1 287.451 2.891 10 0 CFAEMO CC(C)[N@H+]1CCC[C@](NC2CC2)(c2nccs2)CC1 ZINC000086851642 179359190 /nfs/dbraw/zinc/35/91/90/179359190.db2.gz ZHFMFQCFHRDALP-OAHLLOKOSA-N 1 1 279.453 2.985 10 0 CFAEMO COC(=O)[C@@H]1CCC[N@H+]([C@H](C)CCc2ccccc2)C1 ZINC000245402108 348253280 /nfs/dbraw/zinc/25/32/80/348253280.db2.gz GWVAKOWLRLCPJF-GDBMZVCRSA-N 1 1 275.392 2.893 10 0 CFAEMO CCOCCN1CC[N@@H+](C[C@@H]2CCCC[C@H]2C)C[C@@H]1C ZINC000248498274 348273730 /nfs/dbraw/zinc/27/37/30/348273730.db2.gz RMYJDPIWVVKJQY-IKGGRYGDSA-N 1 1 282.472 2.855 10 0 CFAEMO C[NH2+][C@H](c1ccc[nH]1)c1ccoc1Br ZINC000306825177 348393229 /nfs/dbraw/zinc/39/32/29/348393229.db2.gz WAKZSOYHXPAKDZ-VIFPVBQESA-N 1 1 255.115 2.679 10 0 CFAEMO O[C@@]1(c2ccccc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000307425528 348399296 /nfs/dbraw/zinc/39/92/96/348399296.db2.gz OSAGLJVSDAOMOF-KRWDZBQOSA-N 1 1 271.335 2.919 10 0 CFAEMO C[C@@H]1[C@@H](Nc2nncs2)CC[N@H+]1Cc1ccccc1 ZINC000307633202 348401449 /nfs/dbraw/zinc/40/14/49/348401449.db2.gz NQYBVSXTVFQEFJ-YPMHNXCESA-N 1 1 274.393 2.613 10 0 CFAEMO C[C@@]1(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000405948030 348598929 /nfs/dbraw/zinc/59/89/29/348598929.db2.gz DJCXLTYYVZZEGG-SFNKJDCFSA-N 1 1 298.430 2.813 10 0 CFAEMO CCNc1c(N)c[nH+]c2cc(Cl)cc(Cl)c21 ZINC000584882870 348726437 /nfs/dbraw/zinc/72/64/37/348726437.db2.gz XURHQULFJYGKAZ-UHFFFAOYSA-N 1 1 256.136 2.978 10 0 CFAEMO CC[NH2+]CC1=N[C@H]([C@H](CC)c2ccccc2)N(CC)O1 ZINC000584614115 348689958 /nfs/dbraw/zinc/68/99/58/348689958.db2.gz QHVKMGJLPUQJDJ-ZBFHGGJFSA-N 1 1 275.396 2.781 10 0 CFAEMO c1ccc2c(c1)CC[C@@H]1C[N@@H+](CCc3ccncc3)CCN21 ZINC000584619071 348692251 /nfs/dbraw/zinc/69/22/51/348692251.db2.gz DKINKCHPLGDMJQ-GOSISDBHSA-N 1 1 293.414 2.761 10 0 CFAEMO CCC(=O)O[C@](C)(c1ccccc1)[C@@H]1CC[N@@H+](C)C1 ZINC000584633891 348697438 /nfs/dbraw/zinc/69/74/38/348697438.db2.gz ROQDDZTTWKUEFP-GDBMZVCRSA-N 1 1 261.365 2.807 10 0 CFAEMO C[C@@](C[NH3+])(CCN1CCOCC1)c1cccc2ccccc21 ZINC000584636004 348698334 /nfs/dbraw/zinc/69/83/34/348698334.db2.gz KLQIXTRCUFYOIA-IBGZPJMESA-N 1 1 298.430 2.779 10 0 CFAEMO C[N@H+](Cc1ccccc1)C[C@H](O)c1ccc2nccnc2c1 ZINC000584640045 348699804 /nfs/dbraw/zinc/69/98/04/348699804.db2.gz WAACBUQWGQCZFG-SFHVURJKSA-N 1 1 293.370 2.795 10 0 CFAEMO C[C@H](CNCc1ccco1)[N@@H+](C)CC1CCCC1 ZINC000104347935 185977571 /nfs/dbraw/zinc/97/75/71/185977571.db2.gz RDSMBIJSGIMEJY-CYBMUJFWSA-N 1 1 250.386 2.880 10 0 CFAEMO CC(C)[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000080509189 539760924 /nfs/dbraw/zinc/76/09/24/539760924.db2.gz YJDAZIGUHLJJAW-CZUORRHYSA-N 1 1 292.398 2.951 10 0 CFAEMO CC(C)[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000080509189 539760929 /nfs/dbraw/zinc/76/09/29/539760929.db2.gz YJDAZIGUHLJJAW-CZUORRHYSA-N 1 1 292.398 2.951 10 0 CFAEMO Cc1cc(N2CCC[C@H]2c2noc(C(C)C)n2)nc(C)[nH+]1 ZINC000132152064 539772162 /nfs/dbraw/zinc/77/21/62/539772162.db2.gz AMXYSHRBPTVVAI-LBPRGKRZSA-N 1 1 287.367 2.941 10 0 CFAEMO COc1ccc(-n2ncnc2C[C@@H](C)n2cc[nH+]c2C)cc1 ZINC000091656012 180218126 /nfs/dbraw/zinc/21/81/26/180218126.db2.gz BFBQAAAJXFUZNG-GFCCVEGCSA-N 1 1 297.362 2.585 10 0 CFAEMO CC(C)C[C@H](C[NH+](C)C)N[C@H](C)c1ccc(F)cn1 ZINC000092196114 180341480 /nfs/dbraw/zinc/34/14/80/180341480.db2.gz 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CFAEMO CC(C)[N@H+]1CCO[C@@H](c2cccc3nnccc32)CC1 ZINC000616595556 352377836 /nfs/dbraw/zinc/37/78/36/352377836.db2.gz NHETYNGAQSENAK-MRXNPFEDSA-N 1 1 271.364 2.802 10 0 CFAEMO CC(=O)Nc1ccccc1[C@H]1CC[N@@H+](C(C)C)CCO1 ZINC000616593398 352377941 /nfs/dbraw/zinc/37/79/41/352377941.db2.gz JSHVICHZELALOY-MRXNPFEDSA-N 1 1 276.380 2.817 10 0 CFAEMO CC(C)(C)[N@H+]1CCOCC[C@H]1c1cccc(CCO)c1 ZINC000616598080 352378363 /nfs/dbraw/zinc/37/83/63/352378363.db2.gz NNWPZWRBUNIGMM-INIZCTEOSA-N 1 1 277.408 2.783 10 0 CFAEMO CC(C)[N@H+]1CCOCC[C@@H]1c1cnnc2ccccc21 ZINC000616599603 352379470 /nfs/dbraw/zinc/37/94/70/352379470.db2.gz SKUIWBJUCAWMIQ-MRXNPFEDSA-N 1 1 271.364 2.802 10 0 CFAEMO NCC[N@@H+]1CCC[C@@H](c2nccc3ccccc32)CC1 ZINC000616600222 352379557 /nfs/dbraw/zinc/37/95/57/352379557.db2.gz ALLUSPYNOMIMJJ-OAHLLOKOSA-N 1 1 269.392 2.763 10 0 CFAEMO NCC[N@H+]1CCC[C@@H](c2nccc3ccccc32)CC1 ZINC000616600222 352379559 /nfs/dbraw/zinc/37/95/59/352379559.db2.gz ALLUSPYNOMIMJJ-OAHLLOKOSA-N 1 1 269.392 2.763 10 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/nfs/dbraw/zinc/22/86/32/173228632.db2.gz YPTRWUUIELTUHH-SNVBAGLBSA-N 1 1 284.201 2.598 10 0 CFAEMO COc1cccc(C[N@H+]2CCc3c(N)cccc3C2)c1 ZINC000038032573 174028434 /nfs/dbraw/zinc/02/84/34/174028434.db2.gz GTYXQVSBHPFAOP-UHFFFAOYSA-N 1 1 268.360 2.836 10 0 CFAEMO CC[C@H](C)[NH2+][C@@H](C(N)=O)c1cccc(Cl)c1Cl ZINC000038064795 174075559 /nfs/dbraw/zinc/07/55/59/174075559.db2.gz PYCLCAFBWRLGIG-WRWORJQWSA-N 1 1 275.179 2.908 10 0 CFAEMO Cc1nc(CC2CC[NH2+]CC2)[nH]c1-c1ccccc1 ZINC000038076128 174086585 /nfs/dbraw/zinc/08/65/85/174086585.db2.gz RQQQTOQNBKZNKJ-UHFFFAOYSA-N 1 1 255.365 2.927 10 0 CFAEMO C[C@@H](C[NH2+][C@@H](C)c1nc2ccccc2s1)N(C)C ZINC000038088287 174101425 /nfs/dbraw/zinc/10/14/25/174101425.db2.gz CCHXBRCJWNFFDD-QWRGUYRKSA-N 1 1 263.410 2.897 10 0 CFAEMO CCCN(CCC)[C@@H](C[NH3+])c1cccc(OC)c1 ZINC000038827561 174156490 /nfs/dbraw/zinc/15/64/90/174156490.db2.gz DMSKXPZWWDQRKS-HNNXBMFYSA-N 1 1 250.386 2.817 10 0 CFAEMO CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038832135 174157140 /nfs/dbraw/zinc/15/71/40/174157140.db2.gz LHJISMDJQLNUEG-ZDUSSCGKSA-N 1 1 280.799 2.688 10 0 CFAEMO O[C@@H](Cc1[nH]cc[nH+]1)c1ccccc1C(F)(F)F ZINC000040261338 174217081 /nfs/dbraw/zinc/21/70/81/174217081.db2.gz UTGHGBXVHPLMLW-JTQLQIEISA-N 1 1 256.227 2.705 10 0 CFAEMO CCOc1cccc(CN[C@H]2CCC[N@H+](CC)C2)c1OC ZINC000040502805 174299078 /nfs/dbraw/zinc/29/90/78/174299078.db2.gz YJUORSARFNNYNF-HNNXBMFYSA-N 1 1 292.423 2.668 10 0 CFAEMO CCOc1cccc(CN[C@H]2CCC[N@@H+](CC)C2)c1OC ZINC000040502805 174299080 /nfs/dbraw/zinc/29/90/80/174299080.db2.gz YJUORSARFNNYNF-HNNXBMFYSA-N 1 1 292.423 2.668 10 0 CFAEMO CC[N@H+]1CCC[C@@H](N[C@@H](C)c2csc(C)n2)C1 ZINC000040502732 174299210 /nfs/dbraw/zinc/29/92/10/174299210.db2.gz PMVRETIHIMKZCM-CMPLNLGQSA-N 1 1 253.415 2.586 10 0 CFAEMO CCN1CCC[C@@H]([NH2+][C@@H](C)c2csc(C)n2)C1 ZINC000040502732 174299211 /nfs/dbraw/zinc/29/92/11/174299211.db2.gz PMVRETIHIMKZCM-CMPLNLGQSA-N 1 1 253.415 2.586 10 0 CFAEMO Cc1ccc([C@H](C)NC[C@@H]2CC[N@H+](C(C)C)C2)o1 ZINC000040621506 174355271 /nfs/dbraw/zinc/35/52/71/174355271.db2.gz HLXNLOZHPFUONW-KBPBESRZSA-N 1 1 250.386 2.969 10 0 CFAEMO COC(=O)c1occc1C[NH2+]Cc1cc2c(s1)CCC2 ZINC000040626422 174356451 /nfs/dbraw/zinc/35/64/51/174356451.db2.gz RTEGRBHKVABWDX-UHFFFAOYSA-N 1 1 291.372 2.906 10 0 CFAEMO C[N@H+]1CCCN(Cc2cc3ccccc3cc2N)CC1 ZINC000040638342 174363272 /nfs/dbraw/zinc/36/32/72/174363272.db2.gz MDEBZPXXGSUETM-UHFFFAOYSA-N 1 1 269.392 2.560 10 0 CFAEMO CN1CCC[N@H+](Cc2cc3ccccc3cc2N)CC1 ZINC000040638342 174363274 /nfs/dbraw/zinc/36/32/74/174363274.db2.gz MDEBZPXXGSUETM-UHFFFAOYSA-N 1 1 269.392 2.560 10 0 CFAEMO CN1CCC[N@@H+](Cc2cc3ccccc3cc2N)CC1 ZINC000040638342 174363275 /nfs/dbraw/zinc/36/32/75/174363275.db2.gz MDEBZPXXGSUETM-UHFFFAOYSA-N 1 1 269.392 2.560 10 0 CFAEMO CCOC1CC[NH+]([C@@H](CN)[C@@H](C)c2ccccc2)CC1 ZINC000040678615 174374563 /nfs/dbraw/zinc/37/45/63/174374563.db2.gz AENVVNDRRCJLLI-YOEHRIQHSA-N 1 1 276.424 2.618 10 0 CFAEMO CCOC1CCN([C@H]2CCc3ccccc3[C@H]2[NH3+])CC1 ZINC000040689225 174375607 /nfs/dbraw/zinc/37/56/07/174375607.db2.gz DWKKUPHMNWGQRN-DLBZAZTESA-N 1 1 274.408 2.502 10 0 CFAEMO CCOC1CC[NH+]([C@@H](CN)c2ccc(C)cc2C)CC1 ZINC000040689129 174375821 /nfs/dbraw/zinc/37/58/21/174375821.db2.gz HLDRSXSRRDLJBF-KRWDZBQOSA-N 1 1 276.424 2.804 10 0 CFAEMO CCNc1[nH+]cnc(NCc2ccccc2Cl)c1N ZINC000040707548 174379985 /nfs/dbraw/zinc/37/99/85/174379985.db2.gz JATADBHBTKNQEU-UHFFFAOYSA-N 1 1 277.759 2.756 10 0 CFAEMO CCNc1nc[nH+]c(NCc2ccccc2Cl)c1N ZINC000040707548 174379986 /nfs/dbraw/zinc/37/99/86/174379986.db2.gz JATADBHBTKNQEU-UHFFFAOYSA-N 1 1 277.759 2.756 10 0 CFAEMO C[N@H+]1CCC[C@H](Nc2ccc(Br)cc2N)C1 ZINC000040715836 174382914 /nfs/dbraw/zinc/38/29/14/174382914.db2.gz NOQICEPLZFNYGO-JTQLQIEISA-N 1 1 284.201 2.537 10 0 CFAEMO C[C@H]1CCN(c2c(C(N)=S)c[nH+]c3ccccc32)C1 ZINC000040724978 174387161 /nfs/dbraw/zinc/38/71/61/174387161.db2.gz WPLMVAKHWJPCQF-JTQLQIEISA-N 1 1 271.389 2.715 10 0 CFAEMO CCCN(Cc1ccncc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747579 174392446 /nfs/dbraw/zinc/39/24/46/174392446.db2.gz ZXQJJMFEHXNOIO-XYPWUTKMSA-N 1 1 259.397 2.577 10 0 CFAEMO [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2ccccc2o1 ZINC000040749215 174393917 /nfs/dbraw/zinc/39/39/17/174393917.db2.gz ATYUOGXHKGQOTQ-AGUYFDCRSA-N 1 1 256.349 2.887 10 0 CFAEMO [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1cc2ccccc2o1 ZINC000040749215 174393919 /nfs/dbraw/zinc/39/39/19/174393919.db2.gz ATYUOGXHKGQOTQ-AGUYFDCRSA-N 1 1 256.349 2.887 10 0 CFAEMO CC(C)Oc1cccc(CN2[C@@H]3CC[C@H]2CC([NH3+])C3)c1 ZINC000040749453 174394387 /nfs/dbraw/zinc/39/43/87/174394387.db2.gz SOUPIEJRTUBGND-MQVJKMGUSA-N 1 1 274.408 2.928 10 0 CFAEMO c1ccc2c(c1)OCC[C@H]2[NH2+]CCN1CCCCCC1 ZINC000040767516 174398305 /nfs/dbraw/zinc/39/83/05/174398305.db2.gz BINVVMVRMXXIKX-MRXNPFEDSA-N 1 1 274.408 2.976 10 0 CFAEMO CCn1ccnc1[C@@H]([NH3+])c1ccc(Cl)cc1F ZINC000041109739 174481686 /nfs/dbraw/zinc/48/16/86/174481686.db2.gz NPIZYUMVQOCMRN-NSHDSACASA-N 1 1 253.708 2.744 10 0 CFAEMO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@@H](O)CN1CCCCC1 ZINC000247301751 287295177 /nfs/dbraw/zinc/29/51/77/287295177.db2.gz ZSFKEYNLUUPEAY-VQHPVUNQSA-N 1 1 282.472 2.638 10 0 CFAEMO COCC[N@@H+](Cc1ccccc1C(N)=S)[C@H](C)C1CC1 ZINC000042679792 174834515 /nfs/dbraw/zinc/83/45/15/174834515.db2.gz NFZGURBSENMNJM-GFCCVEGCSA-N 1 1 292.448 2.568 10 0 CFAEMO CCOC1CC[NH+]([C@H](CN)c2cccc(C)c2C)CC1 ZINC000043314750 175004482 /nfs/dbraw/zinc/00/44/82/175004482.db2.gz CVMWOISOMXVYIT-QGZVFWFLSA-N 1 1 276.424 2.804 10 0 CFAEMO C[C@H](N)[C@H](c1ccncc1)[N@H+](C)CC1CCCCC1 ZINC000043354249 175021198 /nfs/dbraw/zinc/02/11/98/175021198.db2.gz UUIBUXYRMQRREL-XJKSGUPXSA-N 1 1 261.413 2.982 10 0 CFAEMO C[C@H](N)[C@H](c1ccncc1)[N@@H+](C)CC1CCCCC1 ZINC000043354249 175021200 /nfs/dbraw/zinc/02/12/00/175021200.db2.gz UUIBUXYRMQRREL-XJKSGUPXSA-N 1 1 261.413 2.982 10 0 CFAEMO CC[C@@H](N)[C@@H](c1ccncc1)[N@H+](CC(C)C)C1CC1 ZINC000043354658 175022434 /nfs/dbraw/zinc/02/24/34/175022434.db2.gz FZFIPUVATVGYLV-HZPDHXFCSA-N 1 1 261.413 2.980 10 0 CFAEMO CC[C@@H](N)[C@@H](c1ccncc1)[N@@H+](CC(C)C)C1CC1 ZINC000043354658 175022435 /nfs/dbraw/zinc/02/24/35/175022435.db2.gz FZFIPUVATVGYLV-HZPDHXFCSA-N 1 1 261.413 2.980 10 0 CFAEMO Cc1ccc([C@@H]([C@@H](C)N)[N@H+](CCO)C2CCCCC2)o1 ZINC000043365190 175025996 /nfs/dbraw/zinc/02/59/96/175025996.db2.gz SDCWMOUTEISNBD-CZUORRHYSA-N 1 1 280.412 2.603 10 0 CFAEMO Cc1ccc([C@@H]([C@@H](C)N)[N@@H+](CCO)C2CCCCC2)o1 ZINC000043365190 175025998 /nfs/dbraw/zinc/02/59/98/175025998.db2.gz SDCWMOUTEISNBD-CZUORRHYSA-N 1 1 280.412 2.603 10 0 CFAEMO CC[C@H](C)[N@H+](CCOC)[C@@H](c1ccc(C)o1)[C@@H](C)N ZINC000043365249 175026417 /nfs/dbraw/zinc/02/64/17/175026417.db2.gz IWROIJAUBBSALN-NJZAAPMLSA-N 1 1 268.401 2.723 10 0 CFAEMO CC[C@H](C)[N@@H+](CCOC)[C@@H](c1ccc(C)o1)[C@@H](C)N ZINC000043365249 175026418 /nfs/dbraw/zinc/02/64/18/175026418.db2.gz IWROIJAUBBSALN-NJZAAPMLSA-N 1 1 268.401 2.723 10 0 CFAEMO CC[C@@H](N)[C@H](c1ccc(C)o1)[N@H+](CCO)C1CCCC1 ZINC000043365207 175026517 /nfs/dbraw/zinc/02/65/17/175026517.db2.gz CAKOZXVYZWUHJO-GDBMZVCRSA-N 1 1 280.412 2.603 10 0 CFAEMO CC[C@@H](N)[C@H](c1ccc(C)o1)[N@@H+](CCO)C1CCCC1 ZINC000043365207 175026519 /nfs/dbraw/zinc/02/65/19/175026519.db2.gz CAKOZXVYZWUHJO-GDBMZVCRSA-N 1 1 280.412 2.603 10 0 CFAEMO CC[C@@H]([NH3+])[C@H](Sc1nnc(C)[nH]1)c1ccc(C)o1 ZINC000043367742 175027795 /nfs/dbraw/zinc/02/77/95/175027795.db2.gz MAUJPEUEKFOYEQ-KOLCDFICSA-N 1 1 266.370 2.585 10 0 CFAEMO CC[C@@H]([NH3+])[C@H](Sc1nc(C)n[nH]1)c1ccc(C)o1 ZINC000043367742 175027796 /nfs/dbraw/zinc/02/77/96/175027796.db2.gz MAUJPEUEKFOYEQ-KOLCDFICSA-N 1 1 266.370 2.585 10 0 CFAEMO CCN(CC)CC[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000043388322 175033154 /nfs/dbraw/zinc/03/31/54/175033154.db2.gz YGZIYMZDVZZCNB-UHFFFAOYSA-N 1 1 258.768 2.911 10 0 CFAEMO CC(C)[C@@H]([NH3+])c1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000043391695 175034348 /nfs/dbraw/zinc/03/43/48/175034348.db2.gz MSHRHISDDZQIHY-SNVBAGLBSA-N 1 1 271.242 2.810 10 0 CFAEMO Cc1cc(C)cc(C[NH2+]Cc2nnc3ccccn32)c1 ZINC000043392693 175034462 /nfs/dbraw/zinc/03/44/62/175034462.db2.gz OOHSDWPWKAPFKI-UHFFFAOYSA-N 1 1 266.348 2.636 10 0 CFAEMO CC(C)[C@H]([NH3+])c1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000043391693 175034465 /nfs/dbraw/zinc/03/44/65/175034465.db2.gz MSHRHISDDZQIHY-JTQLQIEISA-N 1 1 271.242 2.810 10 0 CFAEMO [NH3+]CC1(Cc2nnc(C3CCCC3)[nH]2)CCCCC1 ZINC000043413919 175037777 /nfs/dbraw/zinc/03/77/77/175037777.db2.gz XGONZJRHTRGZRW-UHFFFAOYSA-N 1 1 262.401 2.914 10 0 CFAEMO [NH3+]CC1(Cc2n[nH]c(C3CCCC3)n2)CCCCC1 ZINC000043413919 175037779 /nfs/dbraw/zinc/03/77/79/175037779.db2.gz XGONZJRHTRGZRW-UHFFFAOYSA-N 1 1 262.401 2.914 10 0 CFAEMO COC(=O)[C@H](CC(C)C)Nc1ccc(N)c2c[nH+]ccc12 ZINC000043430653 175042914 /nfs/dbraw/zinc/04/29/14/175042914.db2.gz ANMDLHMOJDMOOA-HNNXBMFYSA-N 1 1 287.363 2.817 10 0 CFAEMO Cc1c(C)n([C@H](C)c2ccncc2)c2nc[nH+]c(N)c12 ZINC000043531440 175062312 /nfs/dbraw/zinc/06/23/12/175062312.db2.gz CTHHVUKXHHGHDZ-LLVKDONJSA-N 1 1 267.336 2.635 10 0 CFAEMO Fc1cccc2[nH]c([C@H]3[NH2+]CCc4ccccc43)nc21 ZINC000043594382 175075168 /nfs/dbraw/zinc/07/51/68/175075168.db2.gz FHJDBVKXDQRSEN-AWEZNQCLSA-N 1 1 267.307 2.937 10 0 CFAEMO Fc1cccc2[nH]c([C@@H]3[NH2+]CCc4ccccc43)nc21 ZINC000043594383 175075591 /nfs/dbraw/zinc/07/55/91/175075591.db2.gz FHJDBVKXDQRSEN-CQSZACIVSA-N 1 1 267.307 2.937 10 0 CFAEMO CCOC(=O)C[C@@H](C)NCCC[N@H+](C)C1CCCCC1 ZINC000043618119 175080507 /nfs/dbraw/zinc/08/05/07/175080507.db2.gz GAEOQAKCTHLZKL-CQSZACIVSA-N 1 1 284.444 2.572 10 0 CFAEMO CCOC(=O)C[C@@H](C)NCCC[N@@H+](C)C1CCCCC1 ZINC000043618119 175080508 /nfs/dbraw/zinc/08/05/08/175080508.db2.gz GAEOQAKCTHLZKL-CQSZACIVSA-N 1 1 284.444 2.572 10 0 CFAEMO C[C@H](O)c1nc2cc([C@@H]([NH3+])c3ccccc3)ccc2[nH]1 ZINC000043647191 175085086 /nfs/dbraw/zinc/08/50/86/175085086.db2.gz RIGKYCBSGGAGKP-BONVTDFDSA-N 1 1 267.332 2.664 10 0 CFAEMO CCN1CCN([C@@H](C(C)C)[C@@H]([NH2+]C)c2ccccc2)CC1 ZINC000043805809 175107564 /nfs/dbraw/zinc/10/75/64/175107564.db2.gz HBQGVXYGUAAFKR-ROUUACIJSA-N 1 1 289.467 2.609 10 0 CFAEMO CC[NH2+][C@@H](CN1CCN(CC)CC1)c1ccc(C)c(C)c1 ZINC000043806090 175108323 /nfs/dbraw/zinc/10/83/23/175108323.db2.gz XLPKAPIHFSIPBP-SFHVURJKSA-N 1 1 289.467 2.592 10 0 CFAEMO CCN[C@@H]1c2ccccc2C[C@H]1[NH+]1CCC(C)CC1 ZINC000043806673 175108343 /nfs/dbraw/zinc/10/83/43/175108343.db2.gz CTDWTNKDIHMTTP-IAGOWNOFSA-N 1 1 258.409 2.994 10 0 CFAEMO CCC[NH2+][C@@H]1CC[C@H](CC)C[C@@H]1N1CCN(CC)CC1 ZINC000043806202 175108691 /nfs/dbraw/zinc/10/86/91/175108691.db2.gz LWHGGVYNUVMHOP-BBWFWOEESA-N 1 1 281.488 2.571 10 0 CFAEMO CC[NH2+][C@@H](c1ccccc1)[C@H](C(C)C)N1CCN(C)CC1 ZINC000043810778 175110542 /nfs/dbraw/zinc/11/05/42/175110542.db2.gz MMJYEPYXQLSNID-ROUUACIJSA-N 1 1 289.467 2.609 10 0 CFAEMO CCN[C@@H](C[N@H+](C)C(C)C)c1cc(OC)ccc1OC ZINC000043813403 175110686 /nfs/dbraw/zinc/11/06/86/175110686.db2.gz KGHCXFLPVMDWSJ-HNNXBMFYSA-N 1 1 280.412 2.695 10 0 CFAEMO CCN[C@@H](C[N@@H+](C)C(C)C)c1cc(OC)ccc1OC ZINC000043813403 175110688 /nfs/dbraw/zinc/11/06/88/175110688.db2.gz KGHCXFLPVMDWSJ-HNNXBMFYSA-N 1 1 280.412 2.695 10 0 CFAEMO CN[C@@H](C[NH+]1CCCCCC1)c1ccc2c(c1)OCO2 ZINC000043812045 175110875 /nfs/dbraw/zinc/11/08/75/175110875.db2.gz RWZJBUFIZKZERN-AWEZNQCLSA-N 1 1 276.380 2.552 10 0 CFAEMO CCN[C@H]1c2ccccc2OC[C@@H]1[NH+]1CCCCCC1 ZINC000043812238 175111074 /nfs/dbraw/zinc/11/10/74/175111074.db2.gz ZHVWLPNQONVTBQ-RDJZCZTQSA-N 1 1 274.408 2.974 10 0 CFAEMO CN[C@@H](C[N@@H+]1CCC[C@@H](C)C1)c1cc(OC)ccc1OC ZINC000043811715 175111121 /nfs/dbraw/zinc/11/11/21/175111121.db2.gz SECURCXSNQALKR-CJNGLKHVSA-N 1 1 292.423 2.696 10 0 CFAEMO CN[C@@H](C[N@H+]1CCC[C@@H](C)C1)c1cc(OC)ccc1OC ZINC000043811715 175111122 /nfs/dbraw/zinc/11/11/22/175111122.db2.gz SECURCXSNQALKR-CJNGLKHVSA-N 1 1 292.423 2.696 10 0 CFAEMO CCOc1ccccc1[C@@H](C[NH+]1CCCCC1)NC ZINC000043814028 175111870 /nfs/dbraw/zinc/11/18/70/175111870.db2.gz HOYVLTXZRLFUEU-OAHLLOKOSA-N 1 1 262.397 2.832 10 0 CFAEMO CC[NH2+][C@@H](C)c1ccc(OCC)c(CN(C)C)c1 ZINC000043816154 175112631 /nfs/dbraw/zinc/11/26/31/175112631.db2.gz JXRKZCCFZPZTOQ-LBPRGKRZSA-N 1 1 250.386 2.817 10 0 CFAEMO CCCC[N@H+](CC)[C@H]1COc2ccccc2[C@@H]1NC ZINC000043817528 175113341 /nfs/dbraw/zinc/11/33/41/175113341.db2.gz YHFPQJGCDOVXMS-HOCLYGCPSA-N 1 1 262.397 2.830 10 0 CFAEMO CCCC[N@@H+](CC)[C@H]1COc2ccccc2[C@@H]1NC ZINC000043817528 175113342 /nfs/dbraw/zinc/11/33/42/175113342.db2.gz YHFPQJGCDOVXMS-HOCLYGCPSA-N 1 1 262.397 2.830 10 0 CFAEMO CCN[C@H]1CCC2(C[C@H]1[NH+]1CCCCCCC1)OCCO2 ZINC000043819247 175113594 /nfs/dbraw/zinc/11/35/94/175113594.db2.gz ICAHUEFQTIJZQT-JKSUJKDBSA-N 1 1 296.455 2.526 10 0 CFAEMO CN[C@@H]1c2ccccc2OC[C@@H]1[NH+]1CCCCCCC1 ZINC000043819121 175114055 /nfs/dbraw/zinc/11/40/55/175114055.db2.gz GBDBDPMLHFEQOH-DOTOQJQBSA-N 1 1 274.408 2.974 10 0 CFAEMO CC[NH2+][C@H](C)c1ccc(OC)c(CN(C)C2CC2)c1 ZINC000043823431 175114777 /nfs/dbraw/zinc/11/47/77/175114777.db2.gz AWJNRLQXPOWEOM-GFCCVEGCSA-N 1 1 262.397 2.960 10 0 CFAEMO CCN[C@H](C[N@H+](CC)C(C)C)c1ccc2c(c1)OCCO2 ZINC000043882837 175116239 /nfs/dbraw/zinc/11/62/39/175116239.db2.gz UYJZAGOYISAXTO-OAHLLOKOSA-N 1 1 292.423 2.839 10 0 CFAEMO CCN[C@H](C[N@@H+](CC)C(C)C)c1ccc2c(c1)OCCO2 ZINC000043882837 175116240 /nfs/dbraw/zinc/11/62/40/175116240.db2.gz UYJZAGOYISAXTO-OAHLLOKOSA-N 1 1 292.423 2.839 10 0 CFAEMO CC[C@H]1CCCC[N@@H+]1[C@@H]1COc2ccccc2[C@@H]1NC ZINC000043883348 175116292 /nfs/dbraw/zinc/11/62/92/175116292.db2.gz YGTHGLXFPXFFEQ-LXZKKBNFSA-N 1 1 274.408 2.973 10 0 CFAEMO CC[C@H]1CCCC[N@H+]1[C@@H]1COc2ccccc2[C@@H]1NC ZINC000043883348 175116293 /nfs/dbraw/zinc/11/62/93/175116293.db2.gz YGTHGLXFPXFFEQ-LXZKKBNFSA-N 1 1 274.408 2.973 10 0 CFAEMO CCC[NH2+][C@@H]1CCC2(C[C@H]1N(CCC)C(C)C)OCCO2 ZINC000043885286 175116946 /nfs/dbraw/zinc/11/69/46/175116946.db2.gz OMOLUNNVKUHNRP-HZPDHXFCSA-N 1 1 298.471 2.771 10 0 CFAEMO CN[C@H](C[N@H+](C)CC(C)C)c1ccccc1OC ZINC000043886528 175116985 /nfs/dbraw/zinc/11/69/85/175116985.db2.gz IXJMKVKJDPADHJ-CQSZACIVSA-N 1 1 250.386 2.544 10 0 CFAEMO CN[C@H](C[N@@H+](C)CC(C)C)c1ccccc1OC ZINC000043886528 175116987 /nfs/dbraw/zinc/11/69/87/175116987.db2.gz IXJMKVKJDPADHJ-CQSZACIVSA-N 1 1 250.386 2.544 10 0 CFAEMO CCC[NH2+][C@@H]1CCC2(C[C@H]1N(CC)CC(C)C)OCCO2 ZINC000043888380 175117676 /nfs/dbraw/zinc/11/76/76/175117676.db2.gz CLOHWVKSNVUOJZ-HZPDHXFCSA-N 1 1 298.471 2.628 10 0 CFAEMO CN[C@@H](C[N@@H+](C)[C@@H](C)C(C)C)c1ccc2c(c1)OCCO2 ZINC000043895340 175119135 /nfs/dbraw/zinc/11/91/35/175119135.db2.gz NFEFJRRCQOAEQP-ZFWWWQNUSA-N 1 1 292.423 2.695 10 0 CFAEMO C[NH2+][C@@H](CN(C)[C@@H](C)C(C)C)c1ccc2c(c1)OCCO2 ZINC000043895340 175119136 /nfs/dbraw/zinc/11/91/36/175119136.db2.gz NFEFJRRCQOAEQP-ZFWWWQNUSA-N 1 1 292.423 2.695 10 0 CFAEMO CN[C@@H](C[N@@H+](C)[C@@H](C)C(C)C)c1ccc(OC)cc1OC ZINC000043895260 175119472 /nfs/dbraw/zinc/11/94/72/175119472.db2.gz DKNRAXQVNCHOMB-BBRMVZONSA-N 1 1 294.439 2.941 10 0 CFAEMO C[NH2+][C@@H](CN(C)[C@@H](C)C(C)C)c1ccc(OC)cc1OC ZINC000043895260 175119474 /nfs/dbraw/zinc/11/94/74/175119474.db2.gz DKNRAXQVNCHOMB-BBRMVZONSA-N 1 1 294.439 2.941 10 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262.397 2.688 10 0 CFAEMO CN[C@@H](C[N@H+](C)CCC(C)C)c1cccc(OC)c1 ZINC000043914501 175124629 /nfs/dbraw/zinc/12/46/29/175124629.db2.gz MGNAHDWNGMTULK-INIZCTEOSA-N 1 1 264.413 2.934 10 0 CFAEMO CN[C@@H](C[N@@H+](C)CCC(C)C)c1cccc(OC)c1 ZINC000043914501 175124631 /nfs/dbraw/zinc/12/46/31/175124631.db2.gz MGNAHDWNGMTULK-INIZCTEOSA-N 1 1 264.413 2.934 10 0 CFAEMO CCC[N@H+](CC1CC1)[C@H]1COc2ccccc2[C@@H]1NC ZINC000043967400 175128394 /nfs/dbraw/zinc/12/83/94/175128394.db2.gz CGMDDYGEEGXHAH-RDJZCZTQSA-N 1 1 274.408 2.830 10 0 CFAEMO CCC[N@@H+](CC1CC1)[C@H]1COc2ccccc2[C@@H]1NC ZINC000043967400 175128395 /nfs/dbraw/zinc/12/83/95/175128395.db2.gz CGMDDYGEEGXHAH-RDJZCZTQSA-N 1 1 274.408 2.830 10 0 CFAEMO CCC[NH2+][C@H](CCC)[C@@H](CC)N1CCN(C2CC2)CC1 ZINC000043967800 175128870 /nfs/dbraw/zinc/12/88/70/175128870.db2.gz DNEGPZJZSNXPAW-IAGOWNOFSA-N 1 1 281.488 2.713 10 0 CFAEMO CN[C@@H](C[N@H+](CCOC)[C@@H](C)C1CC1)c1ccccc1 ZINC000043977313 175133693 /nfs/dbraw/zinc/13/36/93/175133693.db2.gz GZXGPXQYWHRPGO-YOEHRIQHSA-N 1 1 276.424 2.694 10 0 CFAEMO CN[C@@H](C[N@@H+](CCOC)[C@@H](C)C1CC1)c1ccccc1 ZINC000043977313 175133694 /nfs/dbraw/zinc/13/36/94/175133694.db2.gz GZXGPXQYWHRPGO-YOEHRIQHSA-N 1 1 276.424 2.694 10 0 CFAEMO CCCOc1ccc([C@@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000044119307 175142226 /nfs/dbraw/zinc/14/22/26/175142226.db2.gz ARFUHRHMGADKJN-HNNXBMFYSA-N 1 1 251.370 2.849 10 0 CFAEMO CCCOc1ccc([C@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000044119303 175142362 /nfs/dbraw/zinc/14/23/62/175142362.db2.gz ARFUHRHMGADKJN-OAHLLOKOSA-N 1 1 251.370 2.849 10 0 CFAEMO CCc1ccc([C@H](O)[C@@H](C)[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000044121466 175142587 /nfs/dbraw/zinc/14/25/87/175142587.db2.gz ZMSINLKXNASKPY-RDTXWAMCSA-N 1 1 290.451 2.697 10 0 CFAEMO CCc1ccc([C@H](O)[C@H](C)[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000044121477 175142637 /nfs/dbraw/zinc/14/26/37/175142637.db2.gz ZMSINLKXNASKPY-KBXCAEBGSA-N 1 1 290.451 2.697 10 0 CFAEMO CCC[N@@H+](C[C@@H](O)c1ccccc1OC)C(C)C ZINC000044127178 175144180 /nfs/dbraw/zinc/14/41/80/175144180.db2.gz UCIXDROQIJEECV-CQSZACIVSA-N 1 1 251.370 2.849 10 0 CFAEMO C[C@H]([C@@H](O)c1ccccc1)[N@@H+](C)CCc1ccccn1 ZINC000044125605 175144224 /nfs/dbraw/zinc/14/42/24/175144224.db2.gz KONIOHWEGWLPLS-RHSMWYFYSA-N 1 1 270.376 2.678 10 0 CFAEMO CCC[N@@H+](C[C@H](O)c1ccc(OC)cc1)C(C)C ZINC000044127342 175144380 /nfs/dbraw/zinc/14/43/80/175144380.db2.gz NJFYZFJIUHGKTO-HNNXBMFYSA-N 1 1 251.370 2.849 10 0 CFAEMO CCC[N@@H+](C[C@@H](O)c1ccc(OC)cc1OC)C1CC1 ZINC000044130663 175144782 /nfs/dbraw/zinc/14/47/82/175144782.db2.gz OTLQFVCGTQPOJX-OAHLLOKOSA-N 1 1 279.380 2.612 10 0 CFAEMO C[N@H+](Cc1ccncc1)C[C@H](O)c1cc2ccccc2o1 ZINC000044134108 175145164 /nfs/dbraw/zinc/14/51/64/175145164.db2.gz GHOYNBXCEHQUEV-HNNXBMFYSA-N 1 1 282.343 2.993 10 0 CFAEMO CCC(CC)[N@@H+](C)C[C@@H](O)c1ccc(OC)cc1 ZINC000044134428 175145371 /nfs/dbraw/zinc/14/53/71/175145371.db2.gz MLFWQXNNHVQMHX-OAHLLOKOSA-N 1 1 251.370 2.849 10 0 CFAEMO Cc1ccc(C)c([C@@H](O)C[N@H+](C)Cc2cccnc2)c1 ZINC000044133846 175145409 /nfs/dbraw/zinc/14/54/09/175145409.db2.gz QFRVOKSUYLUUBV-KRWDZBQOSA-N 1 1 270.376 2.864 10 0 CFAEMO Cc1ccc(C)c([C@@H](O)C[N@H+](C)Cc2ccncc2)c1 ZINC000044134074 175145557 /nfs/dbraw/zinc/14/55/57/175145557.db2.gz ONIDJJLYRAUPGA-KRWDZBQOSA-N 1 1 270.376 2.864 10 0 CFAEMO CC1(C)C[N@@H+](C[C@@H](O)c2cccc3ccccc32)CCO1 ZINC000044159829 175146936 /nfs/dbraw/zinc/14/69/36/175146936.db2.gz ROIRTWMPAXEYQI-QGZVFWFLSA-N 1 1 285.387 2.984 10 0 CFAEMO CC(C)c1ccc([C@@H](O)C[N@@H+](C)C2CCOCC2)cc1 ZINC000044160160 175147353 /nfs/dbraw/zinc/14/73/53/175147353.db2.gz IIOHOBSRXDHBLZ-KRWDZBQOSA-N 1 1 277.408 2.954 10 0 CFAEMO Cc1ccc(C)c([C@@H](O)C[N@H+](CCN(C)C)CC(C)C)c1 ZINC000044164414 175148038 /nfs/dbraw/zinc/14/80/38/175148038.db2.gz JKGHAONVZJOOBD-SFHVURJKSA-N 1 1 292.467 2.856 10 0 CFAEMO Cc1ccc(C)c([C@@H](O)CN(CC[NH+](C)C)CC(C)C)c1 ZINC000044164414 175148039 /nfs/dbraw/zinc/14/80/39/175148039.db2.gz JKGHAONVZJOOBD-SFHVURJKSA-N 1 1 292.467 2.856 10 0 CFAEMO CC(C)C[N@@H+](CCN(C)C)[C@H]1CCCCCC[C@@H]1O ZINC000044164426 175148135 /nfs/dbraw/zinc/14/81/35/175148135.db2.gz ACPLYZGIDUGBGW-HOTGVXAUSA-N 1 1 270.461 2.590 10 0 CFAEMO CCC[N@@H+](CC1CC1)[C@H]1COc2ccccc2[C@@H]1O ZINC000044168984 175148459 /nfs/dbraw/zinc/14/84/59/175148459.db2.gz QKHAJUUAJTWQND-HOCLYGCPSA-N 1 1 261.365 2.603 10 0 CFAEMO CCOc1ccccc1[C@@H](O)C[N@@H+](CCOC)CC(C)C ZINC000044166088 175148722 /nfs/dbraw/zinc/14/87/22/175148722.db2.gz JTHLNENJFHWVDP-INIZCTEOSA-N 1 1 295.423 2.723 10 0 CFAEMO CC(C)C[N@@H+](C1CC1)[C@@H]1COc2ccccc2[C@@H]1O ZINC000044170258 175148738 /nfs/dbraw/zinc/14/87/38/175148738.db2.gz VJTCLVBMUVLMSY-ZBFHGGJFSA-N 1 1 261.365 2.601 10 0 CFAEMO CCCc1ccc([C@@H](O)C[N@@H+](CC)CCOC)cc1 ZINC000044173265 175149479 /nfs/dbraw/zinc/14/94/79/175149479.db2.gz SEUKWAUJAVZPID-INIZCTEOSA-N 1 1 265.397 2.641 10 0 CFAEMO C[C@@H]1CCCC[C@H]1[N@@H+](C)[C@@H]1COc2ccccc2[C@@H]1O ZINC000044173970 175149516 /nfs/dbraw/zinc/14/95/16/175149516.db2.gz MLVLWWMVFGJMNH-MMTVNHQJSA-N 1 1 275.392 2.992 10 0 CFAEMO CC[C@H]([C@H](O)c1ccccc1)N1CC[NH+](C(C)(C)C)CC1 ZINC000044176201 175149739 /nfs/dbraw/zinc/14/97/39/175149739.db2.gz AQNOIJOUNKBRIA-IAGOWNOFSA-N 1 1 290.451 2.915 10 0 CFAEMO CCO[C@H]1CCC[N@H+]([C@@H]2CCc3ccccc3[C@@H]2O)C1 ZINC000044179746 175150519 /nfs/dbraw/zinc/15/05/19/175150519.db2.gz GEGOXECTMUDMBC-UAGQMJEPSA-N 1 1 275.392 2.536 10 0 CFAEMO CCCOc1ccc([C@H](O)C[N@@H+]2CCOCC2(C)C)cc1 ZINC000044178251 175150830 /nfs/dbraw/zinc/15/08/30/175150830.db2.gz VHOXDACGFUBODW-MRXNPFEDSA-N 1 1 293.407 2.620 10 0 CFAEMO CCCOc1ccc([C@H](O)C[N@H+]2CCOCC2(C)C)cc1 ZINC000044178251 175150832 /nfs/dbraw/zinc/15/08/32/175150832.db2.gz VHOXDACGFUBODW-MRXNPFEDSA-N 1 1 293.407 2.620 10 0 CFAEMO CCC(CC)[N@@H+](CCOC)[C@H]1CCCCC[C@@H]1O ZINC000044177834 175150959 /nfs/dbraw/zinc/15/09/59/175150959.db2.gz DCKKUWMTXGEZOS-GJZGRUSLSA-N 1 1 257.418 2.817 10 0 CFAEMO CCCOc1ccc([C@@H](O)C[N@@H+]2CCOCC2(C)C)cc1 ZINC000044178253 175151045 /nfs/dbraw/zinc/15/10/45/175151045.db2.gz VHOXDACGFUBODW-INIZCTEOSA-N 1 1 293.407 2.620 10 0 CFAEMO CCCOc1ccc([C@@H](O)C[N@H+]2CCOCC2(C)C)cc1 ZINC000044178253 175151046 /nfs/dbraw/zinc/15/10/46/175151046.db2.gz VHOXDACGFUBODW-INIZCTEOSA-N 1 1 293.407 2.620 10 0 CFAEMO CCCN1CCN([C@@H](c2ccccc2Cl)[C@@H](C)[NH3+])CC1 ZINC000044418478 175173137 /nfs/dbraw/zinc/17/31/37/175173137.db2.gz WMMYTLQYSYTBRC-CZUORRHYSA-N 1 1 295.858 2.756 10 0 CFAEMO CCn1cc([C@@H](C)N[C@H](CC(C)C)C[NH+](C)C)cn1 ZINC000044498708 175184847 /nfs/dbraw/zinc/18/48/47/175184847.db2.gz KLHAGUXINPMVNA-UKRRQHHQSA-N 1 1 266.433 2.530 10 0 CFAEMO C[NH+]1CCC(Cn2c(N)nc3cccc(Cl)c32)CC1 ZINC000044526465 175191616 /nfs/dbraw/zinc/19/16/16/175191616.db2.gz PZXWQXHYLJNXQK-UHFFFAOYSA-N 1 1 278.787 2.614 10 0 CFAEMO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCCN(C)C2)c(C)n1 ZINC000044532880 175196122 /nfs/dbraw/zinc/19/61/22/175196122.db2.gz OMGFDVRIPRUVOR-GOEBONIOSA-N 1 1 275.440 2.999 10 0 CFAEMO Cc1cc(C)c([C@H](C)NC[C@H]2CCC[N@H+](C)C2)c(C)n1 ZINC000044532880 175196124 /nfs/dbraw/zinc/19/61/24/175196124.db2.gz OMGFDVRIPRUVOR-GOEBONIOSA-N 1 1 275.440 2.999 10 0 CFAEMO Cc1cc(C)c([C@H](C)NC[C@H]2CCC[N@@H+](C)C2)c(C)n1 ZINC000044532880 175196125 /nfs/dbraw/zinc/19/61/25/175196125.db2.gz OMGFDVRIPRUVOR-GOEBONIOSA-N 1 1 275.440 2.999 10 0 CFAEMO C[N@H+]1CCC[C@H](CNc2ccc(N)c3cnccc23)C1 ZINC000044535563 175198249 /nfs/dbraw/zinc/19/82/49/175198249.db2.gz IMGCUIRDITVUME-GFCCVEGCSA-N 1 1 270.380 2.571 10 0 CFAEMO C[N@H+]1CCC[C@H](CNc2ccc(N)cc2Br)C1 ZINC000044535883 175198831 /nfs/dbraw/zinc/19/88/31/175198831.db2.gz HNODQTATOVUNDT-SNVBAGLBSA-N 1 1 298.228 2.785 10 0 CFAEMO Cc1cccc(NC(=O)CCC[N@@H+]2CCCC[C@H]2CN)c1 ZINC000044559129 175203651 /nfs/dbraw/zinc/20/36/51/175203651.db2.gz KVQMEBYGXLDZBI-INIZCTEOSA-N 1 1 289.423 2.527 10 0 CFAEMO Cc1cccc(NC(=O)CCC[N@H+]2CCCC[C@H]2CN)c1 ZINC000044559129 175203653 /nfs/dbraw/zinc/20/36/53/175203653.db2.gz KVQMEBYGXLDZBI-INIZCTEOSA-N 1 1 289.423 2.527 10 0 CFAEMO Cc1nc([C@@H](C)NC[C@@H]2CCCC[N@H+]2C)cs1 ZINC000044561281 175204881 /nfs/dbraw/zinc/20/48/81/175204881.db2.gz HOANMEDYETUPPE-PWSUYJOCSA-N 1 1 253.415 2.586 10 0 CFAEMO Cc1nc([C@@H](C)[NH2+]C[C@@H]2CCCCN2C)cs1 ZINC000044561281 175204883 /nfs/dbraw/zinc/20/48/83/175204883.db2.gz HOANMEDYETUPPE-PWSUYJOCSA-N 1 1 253.415 2.586 10 0 CFAEMO Cc1nc([C@H](C)NC[C@H]2CCCC[N@H+]2C)cs1 ZINC000044561284 175205288 /nfs/dbraw/zinc/20/52/88/175205288.db2.gz HOANMEDYETUPPE-CMPLNLGQSA-N 1 1 253.415 2.586 10 0 CFAEMO Cc1nc([C@H](C)[NH2+]C[C@H]2CCCCN2C)cs1 ZINC000044561284 175205289 /nfs/dbraw/zinc/20/52/89/175205289.db2.gz HOANMEDYETUPPE-CMPLNLGQSA-N 1 1 253.415 2.586 10 0 CFAEMO C[N@@H+]1CCCC[C@@H]1CNCc1ccc(Br)o1 ZINC000044562010 175205901 /nfs/dbraw/zinc/20/59/01/175205901.db2.gz QYQLJSXQNHCOKW-SNVBAGLBSA-N 1 1 287.201 2.616 10 0 CFAEMO C[N@H+]1CCCC[C@@H]1CNCc1ccc(Br)o1 ZINC000044562010 175205903 /nfs/dbraw/zinc/20/59/03/175205903.db2.gz QYQLJSXQNHCOKW-SNVBAGLBSA-N 1 1 287.201 2.616 10 0 CFAEMO C[N@H+]1CCCC[C@@H]1CNc1cccc(C(F)(F)F)n1 ZINC000044563223 175206902 /nfs/dbraw/zinc/20/69/02/175206902.db2.gz PJFKUZBEPWJBGA-SNVBAGLBSA-N 1 1 273.302 2.997 10 0 CFAEMO C[N@H+]1CCCC[C@H]1CNc1ccc(C(F)(F)F)cn1 ZINC000044563108 175207032 /nfs/dbraw/zinc/20/70/32/175207032.db2.gz HVOKXCMRCCBFDX-NSHDSACASA-N 1 1 273.302 2.997 10 0 CFAEMO CCC[NH2+]CC(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000044651309 175224962 /nfs/dbraw/zinc/22/49/62/175224962.db2.gz QNLHTLGLEGDELB-UHFFFAOYSA-N 1 1 288.395 2.799 10 0 CFAEMO C[C@H](CCN(C)C)[NH2+][C@H]1CCCc2cc(O)ccc21 ZINC000044747571 175242910 /nfs/dbraw/zinc/24/29/10/175242910.db2.gz ZCUYKNZDTHHESG-WBMJQRKESA-N 1 1 262.397 2.699 10 0 CFAEMO COc1ccc(Nc2[nH+]c3ccccc3n2CCO)cc1 ZINC000044787234 175253582 /nfs/dbraw/zinc/25/35/82/175253582.db2.gz APUIYYSXQOBQOU-UHFFFAOYSA-N 1 1 283.331 2.781 10 0 CFAEMO OCCn1c2ccccc2[nH+]c1Nc1ccccc1 ZINC000044787209 175253831 /nfs/dbraw/zinc/25/38/31/175253831.db2.gz PGVSGSLDQSGTPY-UHFFFAOYSA-N 1 1 253.305 2.772 10 0 CFAEMO C[C@@H](Cn1c(N)nc2cc(F)ccc21)[NH+]1CCCCC1 ZINC000045005556 175288103 /nfs/dbraw/zinc/28/81/03/175288103.db2.gz RDIVHINZFUFKAH-NSHDSACASA-N 1 1 276.359 2.632 10 0 CFAEMO CC[N@@H+](CC(N)=S)Cc1cc(Br)cs1 ZINC000045063261 175298747 /nfs/dbraw/zinc/29/87/47/175298747.db2.gz ZYWNUTGEFUDTGK-UHFFFAOYSA-N 1 1 293.255 2.619 10 0 CFAEMO Nc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045066510 175299692 /nfs/dbraw/zinc/29/96/92/175299692.db2.gz PQMYFLRFBMKLGN-MRXNPFEDSA-N 1 1 287.407 2.862 10 0 CFAEMO C[N@H+](CC(C)(C)C)[C@@H](CN)c1ccc(F)c(F)c1 ZINC000045070821 175301176 /nfs/dbraw/zinc/30/11/76/175301176.db2.gz OQCKKKWNWJLOTR-ZDUSSCGKSA-N 1 1 256.340 2.943 10 0 CFAEMO COc1ccc(C)cc1[C@H](N)C[N@@H+](C)CC(C)(C)C ZINC000045072571 175301635 /nfs/dbraw/zinc/30/16/35/175301635.db2.gz KAJQAQXMOQAXAJ-CQSZACIVSA-N 1 1 264.413 2.981 10 0 CFAEMO COc1ccc(C)cc1[C@H]([NH3+])CN(C)CC(C)(C)C ZINC000045072571 175301636 /nfs/dbraw/zinc/30/16/36/175301636.db2.gz KAJQAQXMOQAXAJ-CQSZACIVSA-N 1 1 264.413 2.981 10 0 CFAEMO COc1ccc([C@H](N)C[N@@H+](C)CC(C)(C)C)cc1OC ZINC000045072610 175301897 /nfs/dbraw/zinc/30/18/97/175301897.db2.gz REWWECBOKXPJDG-CYBMUJFWSA-N 1 1 280.412 2.682 10 0 CFAEMO COc1ccc([C@H]([NH3+])CN(C)CC(C)(C)C)cc1OC ZINC000045072610 175301898 /nfs/dbraw/zinc/30/18/98/175301898.db2.gz REWWECBOKXPJDG-CYBMUJFWSA-N 1 1 280.412 2.682 10 0 CFAEMO C[N@@H+](C[C@H](N)c1ccc2c(c1)OCCCO2)CC(C)(C)C ZINC000045072566 175301935 /nfs/dbraw/zinc/30/19/35/175301935.db2.gz BXDZPTAKCASAJQ-AWEZNQCLSA-N 1 1 292.423 2.826 10 0 CFAEMO CN(C[C@H]([NH3+])c1ccc2c(c1)OCCCO2)CC(C)(C)C ZINC000045072566 175301936 /nfs/dbraw/zinc/30/19/36/175301936.db2.gz BXDZPTAKCASAJQ-AWEZNQCLSA-N 1 1 292.423 2.826 10 0 CFAEMO CCOC(=O)C[C@@H](C)[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045084016 175303569 /nfs/dbraw/zinc/30/35/69/175303569.db2.gz IYFXPMWHTAGJOD-TZMCWYRMSA-N 1 1 253.386 2.983 10 0 CFAEMO CC(C)[N@H+]1CC[C@@H](CNc2ccc(F)cc2N)C1 ZINC000045118584 175311380 /nfs/dbraw/zinc/31/13/80/175311380.db2.gz UTMMEABJQQUDJK-NSHDSACASA-N 1 1 251.349 2.550 10 0 CFAEMO CCn1nc(C)c([C@H](C)[NH2+]C[C@@H](C(C)C)N(C)C)c1C ZINC000045168588 175319760 /nfs/dbraw/zinc/31/97/60/175319760.db2.gz RCNPYZHVEWRESV-WFASDCNBSA-N 1 1 280.460 2.757 10 0 CFAEMO CCn1nc(C)c([C@@H](C)NC[C@H]2CCC[N@@H+](C)C2)c1C ZINC000045172725 175321864 /nfs/dbraw/zinc/32/18/64/175321864.db2.gz WMLVKSTUXSZHAG-IUODEOHRSA-N 1 1 278.444 2.512 10 0 CFAEMO CCn1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCCN(C)C2)c1C ZINC000045172725 175321866 /nfs/dbraw/zinc/32/18/66/175321866.db2.gz WMLVKSTUXSZHAG-IUODEOHRSA-N 1 1 278.444 2.512 10 0 CFAEMO CCCC[N@@H+](CC)CC[C@](C)(NCCC)C(=O)OCC ZINC000045223407 175331126 /nfs/dbraw/zinc/33/11/26/175331126.db2.gz LQIUQBDGQDGPDD-INIZCTEOSA-N 1 1 286.460 2.820 10 0 CFAEMO CCOC(=O)[C@](C)(C[N@@H+](CC)C1CCCCC1)NC(C)C ZINC000045224075 175331867 /nfs/dbraw/zinc/33/18/67/175331867.db2.gz NYZOXVULSJDDNN-KRWDZBQOSA-N 1 1 298.471 2.961 10 0 CFAEMO CCN[C@@](C)(CC[N@@H+](C)C1CCCCC1)C(=O)OCC ZINC000045231285 175335231 /nfs/dbraw/zinc/33/52/31/175335231.db2.gz JKJCAAOEJGQNHQ-INIZCTEOSA-N 1 1 284.444 2.572 10 0 CFAEMO CCN[C@](C)(CC[N@@H+]1[C@H](C)CCC[C@@H]1C)C(=O)OCC ZINC000045231929 175335766 /nfs/dbraw/zinc/33/57/66/175335766.db2.gz QXYWRBBOBRKQKS-IJEWVQPXSA-N 1 1 284.444 2.571 10 0 CFAEMO CCC[N@@H+](CC[C@](C)(NC(C)C)C(=O)OCC)C1CC1 ZINC000045268022 175339605 /nfs/dbraw/zinc/33/96/05/175339605.db2.gz COTDWZQGYBCUAX-INIZCTEOSA-N 1 1 284.444 2.571 10 0 CFAEMO CCOC(=O)[C@](C)(CC[N@@H+](CC)C1CCCC1)NC(C)C ZINC000045269326 175341856 /nfs/dbraw/zinc/34/18/56/175341856.db2.gz PDOFVHUWOGWJBC-KRWDZBQOSA-N 1 1 298.471 2.961 10 0 CFAEMO CCC[NH2+][C@@](C)(CC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)[O-] ZINC000045272121 175343502 /nfs/dbraw/zinc/34/35/02/175343502.db2.gz BESGGLJVSDJIAU-UXLLHSPISA-N 1 1 296.455 2.732 10 0 CFAEMO COC(=O)[C@@](C)(CC[N@@H+](C)[C@@H](C)C(C)(C)C)NC(C)C ZINC000045274848 175344864 /nfs/dbraw/zinc/34/48/64/175344864.db2.gz RNILCMIXWZKHJS-XJKSGUPXSA-N 1 1 286.460 2.673 10 0 CFAEMO CCCN[C@@](C)(C[N@@H+](C)[C@@H]1CCCC[C@@H]1C)C(=O)OCC ZINC000045279023 175349308 /nfs/dbraw/zinc/34/93/08/175349308.db2.gz OXGRDZGBWRXLKT-UXLLHSPISA-N 1 1 298.471 2.818 10 0 CFAEMO CCCN[C@](C)(CC[N@@H+](C)CC(C)(C)C)C(=O)OCC ZINC000045279388 175349503 /nfs/dbraw/zinc/34/95/03/175349503.db2.gz RQWPKTIKIMPAKG-MRXNPFEDSA-N 1 1 286.460 2.676 10 0 CFAEMO CCCN[C@](C)(CC[N@@H+](C)C1CCC(C)CC1)C(=O)OC ZINC000045280617 175350088 /nfs/dbraw/zinc/35/00/88/175350088.db2.gz FBILGFKLCWRTDE-VMBOVVBDSA-N 1 1 298.471 2.818 10 0 CFAEMO CC(C)[NH2+][C@@](C)(CC[N@@H+](C)C1CCC(C)CC1)C(=O)[O-] ZINC000045280583 175350422 /nfs/dbraw/zinc/35/04/22/175350422.db2.gz WHQCMMFIODUGCY-XUJLQICISA-N 1 1 284.444 2.728 10 0 CFAEMO CCN[C@@](C)(CC[N@@H+](CC(C)C)C(C)C)C(=O)OCC ZINC000045280765 175350597 /nfs/dbraw/zinc/35/05/97/175350597.db2.gz FQDIXUFYMOUOJJ-INIZCTEOSA-N 1 1 286.460 2.674 10 0 CFAEMO CCCN[C@](C)(CCCC[N@H+]1CCC[C@@H]1CC)C(=O)OC ZINC000045367414 175362857 /nfs/dbraw/zinc/36/28/57/175362857.db2.gz DQWIFCAOXPOZKX-DOTOQJQBSA-N 1 1 298.471 2.962 10 0 CFAEMO CCN[C@@](C)(CCCC[N@H+]1CCC[C@@H]1C)C(=O)OCC ZINC000045367791 175362933 /nfs/dbraw/zinc/36/29/33/175362933.db2.gz CFKNGJNJCKWMCD-HOCLYGCPSA-N 1 1 284.444 2.572 10 0 CFAEMO CCOC(=O)[C@](C)(CCCC[N@H+]1CCC[C@@H]1CC)NC ZINC000045367386 175363313 /nfs/dbraw/zinc/36/33/13/175363313.db2.gz RSZRNBCSYNBFSW-HOCLYGCPSA-N 1 1 284.444 2.572 10 0 CFAEMO CCCC[N@@H+](CC)CCC[C@@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045370613 175364049 /nfs/dbraw/zinc/36/40/49/175364049.db2.gz STDGQLSXODFMHO-OAHLLOKOSA-N 1 1 272.433 2.730 10 0 CFAEMO CCCC[N@@H+](CC)CCC[C@](C)(NCC)C(=O)OCC ZINC000045370696 175364510 /nfs/dbraw/zinc/36/45/10/175364510.db2.gz KCDWFDDDTAENEP-INIZCTEOSA-N 1 1 286.460 2.820 10 0 CFAEMO CCN[C@@](C)(CCC[N@@H+](CC)C1CCCCC1)C(=O)OC ZINC000045372438 175364635 /nfs/dbraw/zinc/36/46/35/175364635.db2.gz MGVLKONCQKYXQY-KRWDZBQOSA-N 1 1 298.471 2.962 10 0 CFAEMO CCCN[C@@H](C[N@@H+](CC)C1CCCCC1)C(=O)OCC ZINC000045372198 175364689 /nfs/dbraw/zinc/36/46/89/175364689.db2.gz QYBODQRPWSYJED-HNNXBMFYSA-N 1 1 284.444 2.572 10 0 CFAEMO CCOC(=O)[C@](C)(CCC[N@@H+](CC)C1CCCCC1)NC ZINC000045372418 175364867 /nfs/dbraw/zinc/36/48/67/175364867.db2.gz ZCTQZNUXMTZVIC-KRWDZBQOSA-N 1 1 298.471 2.962 10 0 CFAEMO CCC[NH2+][C@@](C)(CCCC[N@H+]1CCCC[C@@H]1C)C(=O)[O-] ZINC000045376050 175366677 /nfs/dbraw/zinc/36/66/77/175366677.db2.gz HBYVGQAGSVJSMI-HOCLYGCPSA-N 1 1 284.444 2.874 10 0 CFAEMO CCN[C@](C)(CCC[N@@H+](C)C1CCCCC1)C(=O)OCC ZINC000045379149 175368052 /nfs/dbraw/zinc/36/80/52/175368052.db2.gz MXQOBSUODQKFJA-QGZVFWFLSA-N 1 1 298.471 2.962 10 0 CFAEMO CCCN[C@@](C)(CCCC[N@@H+](C)CCC)C(=O)OCC ZINC000045382200 175370033 /nfs/dbraw/zinc/37/00/33/175370033.db2.gz TVFPQZIOJCRMEL-INIZCTEOSA-N 1 1 286.460 2.820 10 0 CFAEMO CCCN[C@](C)(CCC[N@@H+](C)CC(C)C)C(=O)OCC ZINC000045381023 175370124 /nfs/dbraw/zinc/37/01/24/175370124.db2.gz WEMDIZKBYRWHPY-MRXNPFEDSA-N 1 1 286.460 2.676 10 0 CFAEMO CC(C)C[N@@H+](C)CCCC[C@@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045380815 175370371 /nfs/dbraw/zinc/37/03/71/175370371.db2.gz GIZKOKMXZPVRFR-OAHLLOKOSA-N 1 1 272.433 2.586 10 0 CFAEMO CCC[NH2+][C@@](C)(CCCC[N@@H+](C)[C@@H](C)CC)C(=O)[O-] ZINC000045381229 175370455 /nfs/dbraw/zinc/37/04/55/175370455.db2.gz BNMGZDLSMUURDR-ZFWWWQNUSA-N 1 1 272.433 2.730 10 0 CFAEMO CC[N@@H+](CCCC[C@](C)(NC1CC1)C(=O)OC)C(C)C ZINC000045383727 175371268 /nfs/dbraw/zinc/37/12/68/175371268.db2.gz SNGXXQJGRSWBIE-INIZCTEOSA-N 1 1 284.444 2.571 10 0 CFAEMO CCC[N@@H+](C)CCCC[C@@](C)(NC1CC1)C(=O)OCC ZINC000045382252 175371286 /nfs/dbraw/zinc/37/12/86/175371286.db2.gz PUUGVHKDZREOPB-MRXNPFEDSA-N 1 1 284.444 2.572 10 0 CFAEMO CCC[N@@H+](CCC[C@](C)([NH2+]C(C)C)C(=O)[O-])C(C)C ZINC000045385946 175371890 /nfs/dbraw/zinc/37/18/90/175371890.db2.gz MTHHSUMHFFLFNW-HNNXBMFYSA-N 1 1 272.433 2.728 10 0 CFAEMO CCC[N@@H+](CC)CCC[C@@](C)(NC(C)C)C(=O)OCC ZINC000045387134 175373385 /nfs/dbraw/zinc/37/33/85/175373385.db2.gz DCWVJRSSAFYIBF-MRXNPFEDSA-N 1 1 286.460 2.818 10 0 CFAEMO CCCN[C@](C)(CCC[N@@H+](C)C[C@@H](C)CC)C(=O)OC ZINC000045388685 175373945 /nfs/dbraw/zinc/37/39/45/175373945.db2.gz UBFIMOQCEPMJCF-GOEBONIOSA-N 1 1 286.460 2.676 10 0 CFAEMO CC[NH2+][C@](C)(CCC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)[O-] ZINC000045419332 175378136 /nfs/dbraw/zinc/37/81/36/175378136.db2.gz JMHICXNEFCMEMJ-ZMSDIMECSA-N 1 1 296.455 2.732 10 0 CFAEMO C[N@@H+](CCCc1ccccc1)C[C@@H](O)COC(C)(C)C ZINC000046087784 175392571 /nfs/dbraw/zinc/39/25/71/175392571.db2.gz PCGOBLRAWYBJOS-MRXNPFEDSA-N 1 1 279.424 2.727 10 0 CFAEMO COc1ccc(C[C@](C)(CN)[N@@H+](C)CC(C)C)cc1 ZINC000071169107 176050152 /nfs/dbraw/zinc/05/01/52/176050152.db2.gz QLAMQZLDEWHOLZ-MRXNPFEDSA-N 1 1 264.413 2.543 10 0 CFAEMO COc1ccc(C[C@](C)(C[NH3+])N(C)CC(C)C)cc1 ZINC000071169107 176050154 /nfs/dbraw/zinc/05/01/54/176050154.db2.gz QLAMQZLDEWHOLZ-MRXNPFEDSA-N 1 1 264.413 2.543 10 0 CFAEMO Cc1c(Cl)nnc(OCC[C@@H]2CCC[N@@H+]2C)c1C ZINC000071170890 176051353 /nfs/dbraw/zinc/05/13/53/176051353.db2.gz WDRISXUDBZULBA-NSHDSACASA-N 1 1 269.776 2.610 10 0 CFAEMO CC[C@H]1C[N@H+](Cc2ccc(OC)cc2)[C@H](C(C)C)CN1 ZINC000071343742 176131053 /nfs/dbraw/zinc/13/10/53/176131053.db2.gz YWASXSKQWJJTQV-RDJZCZTQSA-N 1 1 276.424 2.904 10 0 CFAEMO CC[C@H]1C[N@@H+](Cc2ccc(OC)cc2)[C@H](C(C)C)CN1 ZINC000071343742 176131054 /nfs/dbraw/zinc/13/10/54/176131054.db2.gz YWASXSKQWJJTQV-RDJZCZTQSA-N 1 1 276.424 2.904 10 0 CFAEMO CCN(CC)C[C@@H]([NH3+])Cc1c(F)cccc1Cl ZINC000071584901 176209743 /nfs/dbraw/zinc/20/97/43/176209743.db2.gz BTXDOYIAOZTYLV-JTQLQIEISA-N 1 1 258.768 2.691 10 0 CFAEMO CC(C)Oc1ccc(COC(=O)[C@@H](C)[NH3+])cc1Cl ZINC000076412954 177020925 /nfs/dbraw/zinc/02/09/25/177020925.db2.gz NSEWSEPVLNBSME-SECBINFHSA-N 1 1 271.744 2.518 10 0 CFAEMO C[C@@]1(c2ccc(Br)s2)CC(=O)CC[NH2+]1 ZINC000076420399 177023225 /nfs/dbraw/zinc/02/32/25/177023225.db2.gz UBHJUMAMPVMETP-JTQLQIEISA-N 1 1 274.183 2.678 10 0 CFAEMO C[C@@H](C1CC1)[N@@H+](C[C@H](O)COCc1ccccc1)C1CC1 ZINC000078535500 177351558 /nfs/dbraw/zinc/35/15/58/177351558.db2.gz CCHOVQITRJVZAS-KSSFIOAISA-N 1 1 289.419 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CC[C@@H]1C[C@@H](C[N@H+]2CCCC[C@@H]2c2nnc[nH]2)CCO1 ZINC000895198645 618464323 /nfs/dbraw/zinc/46/43/23/618464323.db2.gz RGGOBABYRSVVAG-BFHYXJOUSA-N 1 1 278.400 2.537 10 0 CFAEMO COc1c(C)cnc(C[N@H+]2CCC[C@H](C(C)=O)C2)c1C ZINC000111690007 618762494 /nfs/dbraw/zinc/76/24/94/618762494.db2.gz ISMIQQVUMXUCKC-AWEZNQCLSA-N 1 1 276.380 2.508 10 0 CFAEMO COc1c(C)c[nH+]c(CN2CCC[C@H](C(C)=O)C2)c1C ZINC000111690007 618762496 /nfs/dbraw/zinc/76/24/96/618762496.db2.gz ISMIQQVUMXUCKC-AWEZNQCLSA-N 1 1 276.380 2.508 10 0 CFAEMO CCCCC[C@H](CC)C(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000181069147 618871552 /nfs/dbraw/zinc/87/15/52/618871552.db2.gz KUXBKEFXCCEJPY-OAGGEKHMSA-N 1 1 298.471 2.506 10 0 CFAEMO CCCCC[C@H](CC)C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000181069147 618871555 /nfs/dbraw/zinc/87/15/55/618871555.db2.gz KUXBKEFXCCEJPY-OAGGEKHMSA-N 1 1 298.471 2.506 10 0 CFAEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1cnc(Cl)s1 ZINC000094194933 619096198 /nfs/dbraw/zinc/09/61/98/619096198.db2.gz 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Cc1cnc([C@H](C)[NH2+]C[C@H](O)c2ccccc2F)o1 ZINC000230644210 623287383 /nfs/dbraw/zinc/28/73/83/623287383.db2.gz OEHAEBOXTMNGFG-GWCFXTLKSA-N 1 1 264.300 2.506 10 0 CFAEMO Cc1cnc([C@@H](C)[NH2+]C[C@H](O)c2ccccc2F)o1 ZINC000230644205 623287833 /nfs/dbraw/zinc/28/78/33/623287833.db2.gz OEHAEBOXTMNGFG-MFKMUULPSA-N 1 1 264.300 2.506 10 0 CFAEMO Cc1cnc([C@@H](C)[NH2+]C[C@@](C)(O)c2ccccc2)o1 ZINC000230646206 623287846 /nfs/dbraw/zinc/28/78/46/623287846.db2.gz ZIZRBWPMYVXXJC-IUODEOHRSA-N 1 1 260.337 2.541 10 0 CFAEMO Cc1cnc([C@@H](C)[NH2+]CCSC(F)(F)F)o1 ZINC000231742606 623367680 /nfs/dbraw/zinc/36/76/80/623367680.db2.gz IIMTWBJTEXTMCO-SSDOTTSWSA-N 1 1 254.277 2.887 10 0 CFAEMO CCCCCC[C@@H](C)C(=O)N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000173805748 623369728 /nfs/dbraw/zinc/36/97/28/623369728.db2.gz JUEXKCPYEGBIFA-HZPDHXFCSA-N 1 1 298.471 2.772 10 0 CFAEMO CCCCCC[C@@H](C)C(=O)N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000173805748 623369734 /nfs/dbraw/zinc/36/97/34/623369734.db2.gz JUEXKCPYEGBIFA-HZPDHXFCSA-N 1 1 298.471 2.772 10 0 CFAEMO O[C@]12CCCC[C@H]1C[N@H+](C/C(Cl)=C/Cl)CC2 ZINC000088023488 623396557 /nfs/dbraw/zinc/39/65/57/623396557.db2.gz ONOJIWKAOWKMAY-VVOBXSEESA-N 1 1 264.196 2.932 10 0 CFAEMO O[C@]12CCCC[C@H]1C[N@@H+](C/C(Cl)=C/Cl)CC2 ZINC000088023488 623396564 /nfs/dbraw/zinc/39/65/64/623396564.db2.gz ONOJIWKAOWKMAY-VVOBXSEESA-N 1 1 264.196 2.932 10 0 CFAEMO CC(C)OC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000324353997 623862119 /nfs/dbraw/zinc/86/21/19/623862119.db2.gz ZTPPNJOVVHWWMF-HNNXBMFYSA-N 1 1 290.407 2.985 10 0 CFAEMO CC[N@H+]1CCC[C@@H]1CN(C)CCc1cccs1 ZINC000175330402 624947635 /nfs/dbraw/zinc/94/76/35/624947635.db2.gz CFRJMPVYQJUCTB-CYBMUJFWSA-N 1 1 252.427 2.707 10 0 CFAEMO CCN1CCC[C@@H]1C[N@H+](C)CCc1cccs1 ZINC000175330402 624947640 /nfs/dbraw/zinc/94/76/40/624947640.db2.gz CFRJMPVYQJUCTB-CYBMUJFWSA-N 1 1 252.427 2.707 10 0 CFAEMO CCN1CCC[C@@H]1C[N@@H+](C)CCc1cccs1 ZINC000175330402 624947642 /nfs/dbraw/zinc/94/76/42/624947642.db2.gz CFRJMPVYQJUCTB-CYBMUJFWSA-N 1 1 252.427 2.707 10 0 CFAEMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=S)Nc1ccccc1 ZINC000252890891 625216926 /nfs/dbraw/zinc/21/69/26/625216926.db2.gz ISQNNDUZTMLYRR-ZFWWWQNUSA-N 1 1 289.448 2.942 10 0 CFAEMO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc3ccccc3c2)[C@H](C)CO1 ZINC000042247101 649996986 /nfs/dbraw/zinc/99/69/86/649996986.db2.gz HTXMCZQWPKQWTG-LBTNJELSSA-N 1 1 285.387 2.982 10 0 CFAEMO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@H+]1CC1CC1 ZINC000155995164 650039333 /nfs/dbraw/zinc/03/93/33/650039333.db2.gz IMNJIVWQDJSBTQ-CYBMUJFWSA-N 1 1 268.401 2.776 10 0 CFAEMO Cc1cccc([C@H](O)C[N@H+]2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000044177815 650039670 /nfs/dbraw/zinc/03/96/70/650039670.db2.gz PVQJYWKBJNMJQN-BBWFWOEESA-N 1 1 275.392 2.672 10 0 CFAEMO CCC[C@@H]([NH3+])c1nc([C@@H]2CCc3ccccc32)no1 ZINC000087997295 650806848 /nfs/dbraw/zinc/80/68/48/650806848.db2.gz BFDLPXCKBZRYPQ-CHWSQXEVSA-N 1 1 257.337 2.948 10 0 CFAEMO CCC[C@@H]([NH3+])c1nc([C@H]2CCOc3ccccc32)no1 ZINC000087996189 650807024 /nfs/dbraw/zinc/80/70/24/650807024.db2.gz FQXHHTPFEJMXKF-NWDGAFQWSA-N 1 1 273.336 2.784 10 0 CFAEMO CCC1CCC(c2noc([C@H]([NH3+])CCOC)n2)CC1 ZINC000087933517 650807110 /nfs/dbraw/zinc/80/71/10/650807110.db2.gz YAAONFBCXOLOQU-HTAVTVPLSA-N 1 1 267.373 2.790 10 0 CFAEMO CCCCC[C@H](C)NC(=O)C[N@@H+]1CCS[C@@H](C)C1 ZINC000246136137 650855118 /nfs/dbraw/zinc/85/51/18/650855118.db2.gz NFVZCVXVHJSRAA-STQMWFEESA-N 1 1 272.458 2.509 10 0 CFAEMO CCCCC[C@H](C)NC(=O)C[N@H+]1CCS[C@@H](C)C1 ZINC000246136137 650855120 /nfs/dbraw/zinc/85/51/20/650855120.db2.gz NFVZCVXVHJSRAA-STQMWFEESA-N 1 1 272.458 2.509 10 0 CFAEMO CCCCC[C@H](C)CC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000246857538 650886363 /nfs/dbraw/zinc/88/63/63/650886363.db2.gz NGWVAMCQAYERKL-HRCADAONSA-N 1 1 298.471 2.506 10 0 CFAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cn1ccc(-c2ccccc2)n1 ZINC000247129385 650898127 /nfs/dbraw/zinc/89/81/27/650898127.db2.gz QIOXFWHRTTVWSB-WBVHZDCISA-N 1 1 296.418 2.676 10 0 CFAEMO Cc1cccc([C@H](O)CN2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)c1 ZINC000251191135 650984925 /nfs/dbraw/zinc/98/49/25/650984925.db2.gz NKAZRVQZRIHMBM-BPQIPLTHSA-N 1 1 288.435 2.587 10 0 CFAEMO Cc1cccc([C@H](O)C[N@H+]2C[C@@H]3CCCCN3C[C@H]2C)c1 ZINC000251191135 650984926 /nfs/dbraw/zinc/98/49/26/650984926.db2.gz NKAZRVQZRIHMBM-BPQIPLTHSA-N 1 1 288.435 2.587 10 0 CFAEMO Cc1cccc([C@H](O)C[N@@H+]2C[C@@H]3CCCCN3C[C@H]2C)c1 ZINC000251191135 650984927 /nfs/dbraw/zinc/98/49/27/650984927.db2.gz NKAZRVQZRIHMBM-BPQIPLTHSA-N 1 1 288.435 2.587 10 0 CFAEMO C[C@@H]1C[N@H+](C[C@H](O)c2cc3ccccc3o2)[C@@H](C)CO1 ZINC000251565241 650990374 /nfs/dbraw/zinc/99/03/74/650990374.db2.gz DALQTOVKWBGTAV-SCRDCRAPSA-N 1 1 275.348 2.575 10 0 CFAEMO C[C@@H]1C[N@@H+](C[C@H](O)c2cc3ccccc3o2)[C@@H](C)CO1 ZINC000251565241 650990377 /nfs/dbraw/zinc/99/03/77/650990377.db2.gz DALQTOVKWBGTAV-SCRDCRAPSA-N 1 1 275.348 2.575 10 0 CFAEMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=S)Nc1ccccc1 ZINC000134755716 646382819 /nfs/dbraw/zinc/38/28/19/646382819.db2.gz ISQNNDUZTMLYRR-UKRRQHHQSA-N 1 1 289.448 2.942 10 0 CFAEMO Cc1[nH+]ccn1CCCN1C[C@H](c2ccccc2)CC1=O ZINC000095530227 185004775 /nfs/dbraw/zinc/00/47/75/185004775.db2.gz IMNMZBRSFCUQKS-MRXNPFEDSA-N 1 1 283.375 2.598 10 0 CFAEMO C[NH+]1CCN(C(=O)/C=C\c2cccc(Cl)c2Cl)CC1 ZINC000095938667 185035120 /nfs/dbraw/zinc/03/51/20/185035120.db2.gz BXLXYWSMKPCHSN-WAYWQWQTSA-N 1 1 299.201 2.781 10 0 CFAEMO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000090225532 282105251 /nfs/dbraw/zinc/10/52/51/282105251.db2.gz DYDSHKIWIKNWBO-IINYFYTJSA-N 1 1 274.343 2.911 10 0 CFAEMO Cc1ccc(CC[N@H+]2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000124751435 187152123 /nfs/dbraw/zinc/15/21/23/187152123.db2.gz CTWNAXVMITUMRA-KRWDZBQOSA-N 1 1 284.407 2.541 10 0 CFAEMO COc1c(C[N@H+]2CCC[C@@H]2Cc2ccccc2)c(C)nn1C ZINC000124972064 187164096 /nfs/dbraw/zinc/16/40/96/187164096.db2.gz HPYSJAZQFYVXIS-MRXNPFEDSA-N 1 1 299.418 2.944 10 0 CFAEMO Cc1ncccc1C[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000369592508 282193863 /nfs/dbraw/zinc/19/38/63/282193863.db2.gz BTNLRVLXGXLPAS-BRWVUGGUSA-N 1 1 274.408 2.906 10 0 CFAEMO C[C@@H]1[C@@H](O)CCC[N@H+]1Cc1ccc2ccccc2n1 ZINC000294998255 199292192 /nfs/dbraw/zinc/29/21/92/199292192.db2.gz LBVLGTQRAFRZEX-WBMJQRKESA-N 1 1 256.349 2.580 10 0 CFAEMO Cc1cccc(-c2n[nH]cc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000126960347 187272527 /nfs/dbraw/zinc/27/25/27/187272527.db2.gz JCLPVSPRKMDYLS-KBPBESRZSA-N 1 1 285.391 2.994 10 0 CFAEMO CC(C)C[C@@H]1CC[N@@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000074994049 347046602 /nfs/dbraw/zinc/04/66/02/347046602.db2.gz OLEADTCXULUQBL-ZWKOTPCHSA-N 1 1 291.435 2.932 10 0 CFAEMO CCC1(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)CCCC1 ZINC000158870703 282341318 /nfs/dbraw/zinc/34/13/18/282341318.db2.gz PMLVCENCWYBPRP-KBPBESRZSA-N 1 1 266.429 2.802 10 0 CFAEMO Cc1ccccc1CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000132527378 232209119 /nfs/dbraw/zinc/20/91/19/232209119.db2.gz HTTXNSPDZHQQJX-HOCLYGCPSA-N 1 1 289.423 2.523 10 0 CFAEMO C[C@@]1(c2nc(CCc3ccccc3)no2)CCCC[NH2+]1 ZINC000133851246 232211686 /nfs/dbraw/zinc/21/16/86/232211686.db2.gz PUUQAFKSCMMGPG-INIZCTEOSA-N 1 1 271.364 2.844 10 0 CFAEMO OCCC[C@H]1CCC[N@H+]1C[C@H]1CCOc2ccccc21 ZINC000162869629 542248342 /nfs/dbraw/zinc/24/83/42/542248342.db2.gz FSABKHRCRJPQJR-HUUCEWRRSA-N 1 1 275.392 2.790 10 0 CFAEMO Nc1ccc[nH+]c1N1CCN(c2ccc(Cl)cc2)CC1 ZINC000037296193 346328549 /nfs/dbraw/zinc/32/85/49/346328549.db2.gz JIKQJTLKDLTVSS-UHFFFAOYSA-N 1 1 288.782 2.644 10 0 CFAEMO COc1ccc([C@]2(O)CC[C@@H]3CCCC[N@H+]3C2)cc1OC ZINC000033756235 346313107 /nfs/dbraw/zinc/31/31/07/346313107.db2.gz DXAWRKFPZFDERD-YOEHRIQHSA-N 1 1 291.391 2.540 10 0 CFAEMO CC[C@@H](C)[N@H+]1CCc2c(Br)cc(N)c(N)c2C1 ZINC000038780994 346339718 /nfs/dbraw/zinc/33/97/18/346339718.db2.gz ZXECYVWLIDZNOM-MRVPVSSYSA-N 1 1 298.228 2.770 10 0 CFAEMO COC(=O)[C@@H]([NH3+])CCCCCCCC(=O)OC(C)(C)C ZINC000039155461 346341546 /nfs/dbraw/zinc/34/15/46/346341546.db2.gz IODZYRUOHMBOBN-LBPRGKRZSA-N 1 1 287.400 2.559 10 0 CFAEMO OCCC[C@H]1CCC[N@H+]1Cc1cc2c(c(Cl)c1)OCO2 ZINC000052762955 346528710 /nfs/dbraw/zinc/52/87/10/346528710.db2.gz QYSSYXGGGCDUGL-GFCCVEGCSA-N 1 1 297.782 2.806 10 0 CFAEMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1[C@H]1C=CCCC1 ZINC000076668911 347146708 /nfs/dbraw/zinc/14/67/08/347146708.db2.gz NWAMMFSSAJNPRU-AJNGGQMLSA-N 1 1 263.381 2.901 10 0 CFAEMO C[N@@H+]1C[C@H](O)c2cc3c(c4c2[C@@H]1Cc1ccccc1-4)OCO3 ZINC000085894693 179195990 /nfs/dbraw/zinc/19/59/90/179195990.db2.gz RCKNRLRYLSSRKX-KBPBESRZSA-N 1 1 295.338 2.658 10 0 CFAEMO C[N@H+]1C[C@H](O)c2cc3c(c4c2[C@@H]1Cc1ccccc1-4)OCO3 ZINC000085894693 179195991 /nfs/dbraw/zinc/19/59/91/179195991.db2.gz RCKNRLRYLSSRKX-KBPBESRZSA-N 1 1 295.338 2.658 10 0 CFAEMO CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1CCCSC ZINC000094434768 347695470 /nfs/dbraw/zinc/69/54/70/347695470.db2.gz COPRCLNEVIDPSL-UONOGXRCSA-N 1 1 256.459 2.688 10 0 CFAEMO CC[C@H]1CN2CCCC[C@@H]2C[N@@H+]1CCCSC ZINC000094434768 347695472 /nfs/dbraw/zinc/69/54/72/347695472.db2.gz 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/nfs/dbraw/zinc/79/16/21/347791621.db2.gz OIEXVTAFZITRCW-CVEARBPZSA-N 1 1 298.471 2.772 10 0 CFAEMO C[C@@H]1CC[C@H]([C@H]([NH3+])c2occc2Br)O1 ZINC000128248773 347849729 /nfs/dbraw/zinc/84/97/29/347849729.db2.gz FVDCSPNFGQDDLS-VDAHYXPESA-N 1 1 260.131 2.609 10 0 CFAEMO CC(C)[N@@H+](C)Cc1ccc(O)c(Br)c1 ZINC000132486197 347884643 /nfs/dbraw/zinc/88/46/43/347884643.db2.gz PKROYZZPIFHDIM-UHFFFAOYSA-N 1 1 258.159 2.995 10 0 CFAEMO COc1ccc(-c2nc3ccc(C(N)=[NH2+])cc3[nH]2)cc1 ZINC000138782486 347917342 /nfs/dbraw/zinc/91/73/42/347917342.db2.gz HXOCUSAFSUDLRN-UHFFFAOYSA-N 1 1 266.304 2.523 10 0 CFAEMO Cc1cc(Br)ccc1C(F)(F)C[NH3+] ZINC000146090967 347944241 /nfs/dbraw/zinc/94/42/41/347944241.db2.gz PCBGXXJIULALPT-UHFFFAOYSA-N 1 1 250.086 2.808 10 0 CFAEMO C[C@@H]1CN[C@@]2(CC[N@@H+](Cc3ccccc3)C2)SC1 ZINC000159169030 348011162 /nfs/dbraw/zinc/01/11/62/348011162.db2.gz IMZLTASUQDJKJM-HIFRSBDPSA-N 1 1 262.422 2.561 10 0 CFAEMO C[C@@H]1C[NH2+][C@@]2(CCN(Cc3ccccc3)C2)SC1 ZINC000159169030 348011167 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292.423 2.916 10 0 CFAEMO CCOC(=O)C[C@@]1([NH+]2CCCCCC2)CCCN(C)CC1 ZINC000086834393 179350057 /nfs/dbraw/zinc/35/00/57/179350057.db2.gz IKPKDYFOFZVQJC-QGZVFWFLSA-N 1 1 296.455 2.670 10 0 CFAEMO CCC[N@H+]1CCC[C@H](NCc2cccc3c2OCO3)CC1 ZINC000086842416 179352672 /nfs/dbraw/zinc/35/26/72/179352672.db2.gz NHAXCXHSYWOCOR-HNNXBMFYSA-N 1 1 290.407 2.769 10 0 CFAEMO COc1cccc([C@@]2(O)CCC[N@H+](C(C)C)CC2)c1 ZINC000086853153 179359561 /nfs/dbraw/zinc/35/95/61/179359561.db2.gz BEVZOGTWYAHEKO-MRXNPFEDSA-N 1 1 263.381 2.777 10 0 CFAEMO CCC[N@H+]1CCC[C@H]([NH+](CC(=O)[O-])C2CCCC2)CC1 ZINC000086868788 179362622 /nfs/dbraw/zinc/36/26/22/179362622.db2.gz ZLISSCGUZUNGIC-HNNXBMFYSA-N 1 1 282.428 2.580 10 0 CFAEMO CCC[NH+]1CCC[C@H]([N@H+](CC(=O)[O-])C2CCCC2)CC1 ZINC000086868788 179362624 /nfs/dbraw/zinc/36/26/24/179362624.db2.gz ZLISSCGUZUNGIC-HNNXBMFYSA-N 1 1 282.428 2.580 10 0 CFAEMO CCC[NH+]1CCC[C@H]([N@@H+](CC(=O)[O-])C2CCCC2)CC1 ZINC000086868788 179362625 /nfs/dbraw/zinc/36/26/25/179362625.db2.gz 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CCC[N@H+]1CCC[C@@H](c2cccc(OS(C)(=O)=O)c2)C1 ZINC000013738259 372046266 /nfs/dbraw/zinc/04/62/66/372046266.db2.gz AHSLTJCTFBJCMT-CQSZACIVSA-N 1 1 297.420 2.614 10 0 CFAEMO C[N@@H+]1CC=C(c2c[nH]c3ccc([S@](C)=O)cc32)CC1 ZINC000013731894 372046648 /nfs/dbraw/zinc/04/66/48/372046648.db2.gz IQSQLDXPUMAYBE-LJQANCHMSA-N 1 1 274.389 2.624 10 0 CFAEMO COc1ccc2c(c1)[C@H](CCC[NH+]1CCNCC1)CCC2 ZINC000022938195 372248272 /nfs/dbraw/zinc/24/82/72/372248272.db2.gz KWKVXFSOYNIXLR-HNNXBMFYSA-N 1 1 288.435 2.801 10 0 CFAEMO COc1ccc2c(c1)[C@]13CC[N@@H+](C)[C@H](C2)[C@@H]1C[C@H](C)C(=O)C3 ZINC000029216560 372376452 /nfs/dbraw/zinc/37/64/52/372376452.db2.gz ZLXURWCZUPCRCD-SPVIKVHDSA-N 1 1 299.414 2.808 10 0 CFAEMO C[N@@H+](CC(=O)[O-])[C@@H]1CCC[NH+](CCCC(C)(C)C)CC1 ZINC000263568464 383682814 /nfs/dbraw/zinc/68/28/14/383682814.db2.gz HAHIKRPDPWIKEO-CQSZACIVSA-N 1 1 284.444 2.684 10 0 CFAEMO C[NH+](CC(=O)[O-])[C@@H]1CCC[N@H+](CCCC(C)(C)C)CC1 ZINC000263568464 383682819 /nfs/dbraw/zinc/68/28/19/383682819.db2.gz HAHIKRPDPWIKEO-CQSZACIVSA-N 1 1 284.444 2.684 10 0 CFAEMO C[NH+](CC(=O)[O-])[C@@H]1CCC[N@@H+](CCCC(C)(C)C)CC1 ZINC000263568464 383682822 /nfs/dbraw/zinc/68/28/22/383682822.db2.gz HAHIKRPDPWIKEO-CQSZACIVSA-N 1 1 284.444 2.684 10 0 CFAEMO Nc1nc(N)c2cc(Sc3ccccc3)ccc2[nH+]1 ZINC000032267274 372435279 /nfs/dbraw/zinc/43/52/79/372435279.db2.gz ZPCHLRLETWGWJB-UHFFFAOYSA-N 1 1 268.345 2.945 10 0 CFAEMO COc1ccc([C@H](CN)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000033431060 372494855 /nfs/dbraw/zinc/49/48/55/372494855.db2.gz FLZDUEPXVIBJSK-GUTXKFCHSA-N 1 1 292.423 2.682 10 0 CFAEMO COc1ccc([C@H](CN)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000033431060 372494861 /nfs/dbraw/zinc/49/48/61/372494861.db2.gz FLZDUEPXVIBJSK-GUTXKFCHSA-N 1 1 292.423 2.682 10 0 CFAEMO CC(C)OC[C@@H](O)C[N@@H+](Cc1ccsc1)C(C)C ZINC000036099354 372558112 /nfs/dbraw/zinc/55/81/12/372558112.db2.gz FRLWGKXLCDPEQJ-AWEZNQCLSA-N 1 1 271.426 2.744 10 0 CFAEMO CCOC(=O)c1ccc(Nc2[nH+]cc(C)cc2N)cc1 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381371268 /nfs/dbraw/zinc/37/12/68/381371268.db2.gz DLOYKCKCIMQEAH-CVEARBPZSA-N 1 1 292.398 2.920 10 0 CFAEMO CC/C=C/CC[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000184516978 381426898 /nfs/dbraw/zinc/42/68/98/381426898.db2.gz NSZUXGAHYOYUDC-MBVDDHJVSA-N 1 1 274.412 2.734 10 0 CFAEMO CC(C)N1CCC([NH2+]CC2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000343536189 381781283 /nfs/dbraw/zinc/78/12/83/381781283.db2.gz PRAZOORKEUBRIB-ZIAGYGMSSA-N 1 1 268.445 2.652 10 0 CFAEMO Cc1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)cn1 ZINC000343639556 381861521 /nfs/dbraw/zinc/86/15/21/381861521.db2.gz NRBUAMRNQZGWAC-GVDBMIGSSA-N 1 1 274.408 2.906 10 0 CFAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@H]1C[C@@]1(C)C(C)C ZINC000186630531 381969651 /nfs/dbraw/zinc/96/96/51/381969651.db2.gz CBPRPMYSMFCPET-UXLLHSPISA-N 1 1 289.423 2.865 10 0 CFAEMO COCCN1CC[N@@H+](CCCCc2ccccc2)C[C@H]1C ZINC000186970853 382063042 /nfs/dbraw/zinc/06/30/42/382063042.db2.gz BPPXFCZFNZWFMQ-QGZVFWFLSA-N 1 1 290.451 2.662 10 0 CFAEMO c1cnn(C[C@H]2C[N@@H+](CCCCc3ccccc3)CCO2)c1 ZINC000186986653 382068641 /nfs/dbraw/zinc/06/86/41/382068641.db2.gz KVDMSZBKPADUEA-GOSISDBHSA-N 1 1 299.418 2.607 10 0 CFAEMO CCc1cc(N2CCC([N@H+]3CCC[C@@H]3C)CC2)nc(C)n1 ZINC000302093762 382206677 /nfs/dbraw/zinc/20/66/77/382206677.db2.gz NCABRHNGLFOKLR-ZDUSSCGKSA-N 1 1 288.439 2.801 10 0 CFAEMO Cc1noc([C@H]2C[C@@H](O)C[N@H+]2CC[C@H]2CCC[C@H](C)C2)n1 ZINC000377357417 382257157 /nfs/dbraw/zinc/25/71/57/382257157.db2.gz IHFGLEZYWODENX-ZGKBOVNRSA-N 1 1 293.411 2.702 10 0 CFAEMO Cc1noc([C@H]2C[C@@H](O)C[N@@H+]2CC[C@H]2CCC[C@H](C)C2)n1 ZINC000377357417 382257161 /nfs/dbraw/zinc/25/71/61/382257161.db2.gz IHFGLEZYWODENX-ZGKBOVNRSA-N 1 1 293.411 2.702 10 0 CFAEMO CNc1c(Cl)ncnc1NC[C@H]1CCC[N@H+]1CC(C)C ZINC000302563783 382270006 /nfs/dbraw/zinc/27/00/06/382270006.db2.gz NWZSJWVXSQXVEF-LLVKDONJSA-N 1 1 297.834 2.704 10 0 CFAEMO CC(C)OCCC[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188108743 382346914 /nfs/dbraw/zinc/34/69/14/382346914.db2.gz 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ZINC000384945379 382563164 /nfs/dbraw/zinc/56/31/64/382563164.db2.gz USOJKMZRDWDJNR-WBVHZDCISA-N 1 1 277.408 2.918 10 0 CFAEMO C[C@H]1[C@@H](O)CCC[N@H+]1CCOc1ccccc1Cl ZINC000384980696 382563803 /nfs/dbraw/zinc/56/38/03/382563803.db2.gz ZBUNBJFSBIKWIB-AAEUAGOBSA-N 1 1 269.772 2.564 10 0 CFAEMO C[C@H](Cc1ccc(F)cc1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000388306506 382605529 /nfs/dbraw/zinc/60/55/29/382605529.db2.gz BMKCYRXUXDIZMY-XJKCOSOUSA-N 1 1 264.388 2.673 10 0 CFAEMO C[C@H](Cc1ccc(F)cc1)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000388306506 382605533 /nfs/dbraw/zinc/60/55/33/382605533.db2.gz BMKCYRXUXDIZMY-XJKCOSOUSA-N 1 1 264.388 2.673 10 0 CFAEMO C[C@H](Cc1ccc(F)cc1)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000388306506 382605536 /nfs/dbraw/zinc/60/55/36/382605536.db2.gz BMKCYRXUXDIZMY-XJKCOSOUSA-N 1 1 264.388 2.673 10 0 CFAEMO C[C@H](CNCc1ccnc2ccccc12)C[NH+](C)C ZINC000388787724 382609471 /nfs/dbraw/zinc/60/94/71/382609471.db2.gz RJBYWKAGCCGVBL-CYBMUJFWSA-N 1 1 257.381 2.522 10 0 CFAEMO C[C@H](C[NH2+]Cc1ccnc2ccccc12)CN(C)C ZINC000388787724 382609474 /nfs/dbraw/zinc/60/94/74/382609474.db2.gz RJBYWKAGCCGVBL-CYBMUJFWSA-N 1 1 257.381 2.522 10 0 CFAEMO CC[N@@H+]1CC[C@@H](NCc2ccccc2OC(C)C)C1 ZINC000389164382 382611770 /nfs/dbraw/zinc/61/17/70/382611770.db2.gz AYWYUMPPQUFYAL-OAHLLOKOSA-N 1 1 262.397 2.658 10 0 CFAEMO CC[N@H+]1CC[C@@H](NCc2ccccc2OC(C)C)C1 ZINC000389164382 382611772 /nfs/dbraw/zinc/61/17/72/382611772.db2.gz AYWYUMPPQUFYAL-OAHLLOKOSA-N 1 1 262.397 2.658 10 0 CFAEMO CC[C@]1(CO)CCC[N@H+]1Cc1ccc2ccccc2n1 ZINC000189629722 382630885 /nfs/dbraw/zinc/63/08/85/382630885.db2.gz CPWPUMUFEHEAOP-QGZVFWFLSA-N 1 1 270.376 2.972 10 0 CFAEMO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1coc2ccccc12 ZINC000189986121 382648571 /nfs/dbraw/zinc/64/85/71/382648571.db2.gz NDSWBCSCNWDMDS-INIZCTEOSA-N 1 1 273.332 2.960 10 0 CFAEMO COC(=O)[C@]1(C)CCC[N@H+]1Cc1coc2ccccc12 ZINC000189986121 382648572 /nfs/dbraw/zinc/64/85/72/382648572.db2.gz NDSWBCSCNWDMDS-INIZCTEOSA-N 1 1 273.332 2.960 10 0 CFAEMO 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LAEHBKJLACDURR-XLAORIBOSA-N 1 1 296.499 2.980 10 0 CFAEMO CC[C@@H]1CN(CC[C@@H]2CCC[C@H](C)C2)CC[N@H+]1C[C@H](C)O ZINC000246218097 393855039 /nfs/dbraw/zinc/85/50/39/393855039.db2.gz LAEHBKJLACDURR-XLAORIBOSA-N 1 1 296.499 2.980 10 0 CFAEMO CC[C@H]1CC[N@@H+](C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000246234604 393856029 /nfs/dbraw/zinc/85/60/29/393856029.db2.gz NFAJMNUQYSYORE-XJKSGUPXSA-N 1 1 297.826 2.949 10 0 CFAEMO CCCC[C@H](CCC)NC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246337566 393861721 /nfs/dbraw/zinc/86/17/21/393861721.db2.gz CCBOWMIWLCKEAK-GJZGRUSLSA-N 1 1 281.444 2.835 10 0 CFAEMO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](C[C@H]2CCCC[C@H]2C)C1 ZINC000252008626 393933801 /nfs/dbraw/zinc/93/38/01/393933801.db2.gz YLRCEYYNJHLNOI-REBRKWNGSA-N 1 1 293.411 2.966 10 0 CFAEMO CC(C)[C@@H](C)NC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000249309316 393921605 /nfs/dbraw/zinc/92/16/05/393921605.db2.gz KWRYJSUQTLAACE-ZBFHGGJFSA-N 1 1 289.423 2.729 10 0 CFAEMO CC(C)[C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000249309316 393921609 /nfs/dbraw/zinc/92/16/09/393921609.db2.gz KWRYJSUQTLAACE-ZBFHGGJFSA-N 1 1 289.423 2.729 10 0 CFAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2CCCC2(C)C)C1 ZINC000122912544 393973523 /nfs/dbraw/zinc/97/35/23/393973523.db2.gz QADBMMFVVFJJOX-HZSPNIEDSA-N 1 1 281.444 2.593 10 0 CFAEMO CC[N@@H+](Cc1ccc(OC)cc1)C[C@](C)(O)CC ZINC000123416782 393981183 /nfs/dbraw/zinc/98/11/83/393981183.db2.gz MNJXPJJAWXJSNK-OAHLLOKOSA-N 1 1 251.370 2.678 10 0 CFAEMO CC[C@](C)(O)C[N@H+]1CCc2c(Br)cccc2C1 ZINC000123599534 393983854 /nfs/dbraw/zinc/98/38/54/393983854.db2.gz OABNGPSUHNAPRD-AWEZNQCLSA-N 1 1 298.224 2.968 10 0 CFAEMO Cc1noc(C)c1C[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000124571570 393995923 /nfs/dbraw/zinc/99/59/23/393995923.db2.gz SUQBUFWDXTZTLM-IMJJTQAJSA-N 1 1 278.396 2.807 10 0 CFAEMO CC[N@H+]1CCC[C@@H](NC(=O)CCc2cc(C)cc(C)c2)C1 ZINC000129504788 394089298 /nfs/dbraw/zinc/08/92/98/394089298.db2.gz JIHBUMKJDXYQSP-QGZVFWFLSA-N 1 1 288.435 2.837 10 0 CFAEMO CCOCC[N@H+]1CCN(C(=O)CC(CC)CC)C[C@H]1CC ZINC000130438771 394111093 /nfs/dbraw/zinc/11/10/93/394111093.db2.gz LDFJOCFBNBNDAQ-MRXNPFEDSA-N 1 1 298.471 2.772 10 0 CFAEMO C[C@H]([NH2+][C@@H]1CCc2ccccc21)c1nnc2n1CCCC2 ZINC000130871970 394120414 /nfs/dbraw/zinc/12/04/14/394120414.db2.gz ZUDUSWCSQJNNNV-SWLSCSKDSA-N 1 1 282.391 2.953 10 0 CFAEMO CC(=O)Nc1ccccc1C[N@H+]1CCS[C@@H](C)C1 ZINC000131412877 394132642 /nfs/dbraw/zinc/13/26/42/394132642.db2.gz OJOASQBHMJDHNS-NSHDSACASA-N 1 1 264.394 2.582 10 0 CFAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(F)c(Cl)c2)C1 ZINC000132491211 394156278 /nfs/dbraw/zinc/15/62/78/394156278.db2.gz QLJNEQJTSDSXIF-YGRLFVJLSA-N 1 1 298.789 2.938 10 0 CFAEMO C[N@@H+](CCC1CC1)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000135275241 394214967 /nfs/dbraw/zinc/21/49/67/394214967.db2.gz PROGBEBTQAQKFU-MRXNPFEDSA-N 1 1 297.826 2.949 10 0 CFAEMO CC[C@@H]1CCCCC[N@H+]1Cc1nnc(C)n1CC ZINC000150741927 394251069 /nfs/dbraw/zinc/25/10/69/394251069.db2.gz LYHWBPQCIHFCMA-CYBMUJFWSA-N 1 1 250.390 2.761 10 0 CFAEMO CCC(CC)CC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000150762383 394251980 /nfs/dbraw/zinc/25/19/80/394251980.db2.gz HUVLFKAWLNXGSW-JSGCOSHPSA-N 1 1 254.418 2.658 10 0 CFAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)C2CCCCCC2)C1 ZINC000155297966 394314091 /nfs/dbraw/zinc/31/40/91/394314091.db2.gz FKDZFMOMSAFDFM-HIFRSBDPSA-N 1 1 266.429 2.802 10 0 CFAEMO Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCCn2ncnc21 ZINC000164632990 394369461 /nfs/dbraw/zinc/36/94/61/394369461.db2.gz QNJFJRWWUODAKA-UONOGXRCSA-N 1 1 272.327 2.529 10 0 CFAEMO CC[N@@H+](CCNC(=O)N[C@@H](C)c1cccs1)C1CC1 ZINC000171154705 394371994 /nfs/dbraw/zinc/37/19/94/394371994.db2.gz VQQNWYRASCELBS-NSHDSACASA-N 1 1 281.425 2.593 10 0 CFAEMO CC(C)CC1(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000176298823 394381349 /nfs/dbraw/zinc/38/13/49/394381349.db2.gz XQXGTTFACYMAMP-OAHLLOKOSA-N 1 1 278.440 2.900 10 0 CFAEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCCC1CC1 ZINC000181337959 543021532 /nfs/dbraw/zinc/02/15/32/543021532.db2.gz MGJVAHCNAKACLN-AWEZNQCLSA-N 1 1 289.423 2.606 10 0 CFAEMO Cc1nnc(C[NH2+][C@@H](C)c2cccs2)n1C1CC1 ZINC000182543250 543031079 /nfs/dbraw/zinc/03/10/79/543031079.db2.gz SOSVFWOBCRQEEH-VIFPVBQESA-N 1 1 262.382 2.834 10 0 CFAEMO CNC(=O)[C@H]([NH2+]Cc1csc(C2CCCC2)n1)C(C)C ZINC000183650991 543039432 /nfs/dbraw/zinc/03/94/32/543039432.db2.gz QIPIVLVPDGQWEX-CYBMUJFWSA-N 1 1 295.452 2.661 10 0 CFAEMO C[C@@H]1C(=O)NCCC[N@@H+]1Cc1cc2ccccc2s1 ZINC000189072767 543067082 /nfs/dbraw/zinc/06/70/82/543067082.db2.gz NHCRLOXTORDWBG-LLVKDONJSA-N 1 1 274.389 2.612 10 0 CFAEMO CC[N@@H+]1C[C@H](NCc2cscc2Cl)[C@@H](C)C1 ZINC000381740581 543089496 /nfs/dbraw/zinc/08/94/96/543089496.db2.gz OWLOOYMFYLEISY-CABZTGNLSA-N 1 1 258.818 2.831 10 0 CFAEMO CCN1C[C@H]([NH2+]Cc2cscc2Cl)[C@@H](C)C1 ZINC000381740581 543089497 /nfs/dbraw/zinc/08/94/97/543089497.db2.gz OWLOOYMFYLEISY-CABZTGNLSA-N 1 1 258.818 2.831 10 0 CFAEMO CCc1nnc(CN2C[C@H]3CCCC[N@@H+]3C[C@H]2CC)s1 ZINC000392040571 543107037 /nfs/dbraw/zinc/10/70/37/543107037.db2.gz IFFCTTFAJLBQQK-CHWSQXEVSA-N 1 1 294.468 2.549 10 0 CFAEMO CC[C@H](C)N(Cc1ccccc1)CC(F)(F)C[NH3+] ZINC000387258799 543103326 /nfs/dbraw/zinc/10/33/26/543103326.db2.gz RAMPZXRSKHVYQR-LBPRGKRZSA-N 1 1 256.340 2.881 10 0 CFAEMO C[C@H]1C[C@H](O)C[N@@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000401893492 413170444 /nfs/dbraw/zinc/17/04/44/413170444.db2.gz IKCKKSGWKNUVMJ-JSGCOSHPSA-N 1 1 283.799 2.812 10 0 CFAEMO CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1Cc1nn(C)cc1Cl ZINC000393611520 397546221 /nfs/dbraw/zinc/54/62/21/397546221.db2.gz WRCKQCDGNZHWIF-OLZOCXBDSA-N 1 1 296.846 2.522 10 0 CFAEMO CC[C@]1(C)CCC[N@@H+](C[C@H](O)COC(C)(C)C)C1 ZINC000075999248 397590865 /nfs/dbraw/zinc/59/08/65/397590865.db2.gz GOJHAECGDKFIOJ-DZGCQCFKSA-N 1 1 257.418 2.675 10 0 CFAEMO CC[C@@]1(C)CCC[N@@H+](C[C@H](O)COC(C)(C)C)C1 ZINC000075999250 397590931 /nfs/dbraw/zinc/59/09/31/397590931.db2.gz GOJHAECGDKFIOJ-ZFWWWQNUSA-N 1 1 257.418 2.675 10 0 CFAEMO O=C([C@@H]1CC[C@@H]2CCCC[C@H]2C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000245856597 304362220 /nfs/dbraw/zinc/36/22/20/304362220.db2.gz CMDOSCRJPLNKHW-NXOAAHMSSA-N 1 1 290.451 2.900 10 0 CFAEMO COCC1(C[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)CCC1 ZINC000336835401 292232201 /nfs/dbraw/zinc/23/22/01/292232201.db2.gz UJMHVZIVDAEIAV-XHSDSOJGSA-N 1 1 281.440 2.819 10 0 CFAEMO CCc1nc(CN2C[C@H]3CCCC[N@H+]3C[C@@H]2C)cs1 ZINC000375799196 157286349 /nfs/dbraw/zinc/28/63/49/157286349.db2.gz YUXUEXOHPKLYHE-GXTWGEPZSA-N 1 1 279.453 2.764 10 0 CFAEMO C[N@H+]1CCCC2(OCCO2)[C@@H]1Cc1c[nH]c2ccccc12 ZINC000005966354 170163641 /nfs/dbraw/zinc/16/36/41/170163641.db2.gz VFKWEGRQSUYGDI-INIZCTEOSA-N 1 1 286.375 2.548 10 0 CFAEMO CCC[N@H+]1CCc2nc(Nc3ccccc3)ncc2C1 ZINC000009833183 170386496 /nfs/dbraw/zinc/38/64/96/170386496.db2.gz RHXMFRGXZRPBQN-UHFFFAOYSA-N 1 1 268.364 2.988 10 0 CFAEMO CSCCC(=O)N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000012053515 170468042 /nfs/dbraw/zinc/46/80/42/170468042.db2.gz URQNGDYEMDNUNU-OAHLLOKOSA-N 1 1 298.496 2.900 10 0 CFAEMO CC(C)N1CCC([NH2+][C@H](C)c2ccc(O)cc2)CC1 ZINC000020189071 171054808 /nfs/dbraw/zinc/05/48/08/171054808.db2.gz YKSQLTFMNHBYGE-CYBMUJFWSA-N 1 1 262.397 2.916 10 0 CFAEMO CC(C)[NH+]1CCC(N[C@H](C)c2ccc(O)cc2)CC1 ZINC000020189071 171054810 /nfs/dbraw/zinc/05/48/10/171054810.db2.gz YKSQLTFMNHBYGE-CYBMUJFWSA-N 1 1 262.397 2.916 10 0 CFAEMO Cc1noc(C)c1C[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000020253241 171105570 /nfs/dbraw/zinc/10/55/70/171105570.db2.gz MZWBXHGNOWGOFM-INIZCTEOSA-N 1 1 273.380 2.684 10 0 CFAEMO COc1ccc([C@@H]([NH3+])CN2CCCCCCC2)cc1 ZINC000020265674 171122617 /nfs/dbraw/zinc/12/26/17/171122617.db2.gz NNOREVIBVNCOOG-INIZCTEOSA-N 1 1 262.397 2.961 10 0 CFAEMO O[C@H]1CCC[N@@H+](Cc2csc3c2CCCC3)C1 ZINC000020536492 171241123 /nfs/dbraw/zinc/24/11/23/171241123.db2.gz IRVOTVCAPIBEHN-LBPRGKRZSA-N 1 1 251.395 2.584 10 0 CFAEMO C[C@H]1CCC[N@@H+](CCCC(=O)Nc2ccccc2N)C1 ZINC000022155146 171362055 /nfs/dbraw/zinc/36/20/55/171362055.db2.gz WTJNZXLTCGSXSV-ZDUSSCGKSA-N 1 1 275.396 2.719 10 0 CFAEMO C[C@@H](C(=O)Nc1ccccc1N)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022213504 171374634 /nfs/dbraw/zinc/37/46/34/171374634.db2.gz KCPKCLVGTGVULK-XQQFMLRXSA-N 1 1 275.396 2.574 10 0 CFAEMO COc1cccc([C@@H](CN)[NH+]2C[C@H](C)C[C@@H](C)C2)c1OC ZINC000022217729 171376129 /nfs/dbraw/zinc/37/61/29/171376129.db2.gz BCKVVEZOMAAIEM-UMVBOHGHSA-N 1 1 292.423 2.682 10 0 CFAEMO CC(C)[N@@H+](C)CCC(=O)Nc1cc(Cl)ccc1N ZINC000022217746 171376391 /nfs/dbraw/zinc/37/63/91/171376391.db2.gz VPBYHAKGOXHBCP-UHFFFAOYSA-N 1 1 269.776 2.591 10 0 CFAEMO C[C@@H](C(=O)Nc1ccc(F)cc1N)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022221160 171378266 /nfs/dbraw/zinc/37/82/66/171378266.db2.gz CFJFXRHITORPPF-TUAOUCFPSA-N 1 1 293.386 2.713 10 0 CFAEMO O=C(C[NH2+]Cc1ccccc1F)Nc1c(F)cccc1F ZINC000035159785 172017561 /nfs/dbraw/zinc/01/75/61/172017561.db2.gz RNRYNFJUSSTITP-UHFFFAOYSA-N 1 1 294.276 2.832 10 0 CFAEMO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000035331532 172130112 /nfs/dbraw/zinc/13/01/12/172130112.db2.gz SFYJWIQTIDNONX-INIZCTEOSA-N 1 1 255.365 2.856 10 0 CFAEMO Cc1ccoc1[C@H]([NH3+])c1cnn(-c2ccccc2)c1 ZINC000035381935 172164556 /nfs/dbraw/zinc/16/45/56/172164556.db2.gz WNTGZHFLHAVABT-CQSZACIVSA-N 1 1 253.305 2.822 10 0 CFAEMO CCCN[C@H](Cc1[nH]cc[nH+]1)C(F)(F)C(F)(F)F ZINC000035586316 172285857 /nfs/dbraw/zinc/28/58/57/172285857.db2.gz ILZFLQFKWQWYHN-SSDOTTSWSA-N 1 1 271.233 2.518 10 0 CFAEMO COc1ccc(OC)c(-c2[nH+]c3cccc(C)n3c2N)c1 ZINC000036222156 172519506 /nfs/dbraw/zinc/51/95/06/172519506.db2.gz OIDFRAKEHPGKQA-UHFFFAOYSA-N 1 1 283.331 2.909 10 0 CFAEMO CC[C@@H](C)C[N@@H+](C)Cc1ccc(C(N)=S)cc1 ZINC000037173262 173007973 /nfs/dbraw/zinc/00/79/73/173007973.db2.gz JHFVGCQPJRYRSF-LLVKDONJSA-N 1 1 250.411 2.799 10 0 CFAEMO C[C@H]([NH2+]CCc1ccc(F)cc1)[C@H]1CCCN(C)C1 ZINC000037209101 173030482 /nfs/dbraw/zinc/03/04/82/173030482.db2.gz ADESZHYKLIJJDG-ZFWWWQNUSA-N 1 1 264.388 2.688 10 0 CFAEMO COC(=O)c1ccccc1C[NH2+][C@@H](C)c1ccncc1 ZINC000037217723 173035828 /nfs/dbraw/zinc/03/58/28/173035828.db2.gz BOTSIVWAJOGDJH-LBPRGKRZSA-N 1 1 270.332 2.719 10 0 CFAEMO CCCN1CCC([NH2+][C@@H](C)c2scnc2C)CC1 ZINC000037236973 173055122 /nfs/dbraw/zinc/05/51/22/173055122.db2.gz WJJBZJZFBKBUOZ-LBPRGKRZSA-N 1 1 267.442 2.977 10 0 CFAEMO CCC[N@@H+](CC(=O)Nc1ccc(C)cc1N)C(C)C ZINC000037273312 173085733 /nfs/dbraw/zinc/08/57/33/173085733.db2.gz JAIYDDXLZQYGSF-UHFFFAOYSA-N 1 1 263.385 2.636 10 0 CFAEMO C[C@@H](C1CC1)[N@H+](C)CC(=O)c1ccc(F)c(F)c1 ZINC000037338694 173139328 /nfs/dbraw/zinc/13/93/28/173139328.db2.gz QRSJGYLLVKHWGL-VIFPVBQESA-N 1 1 253.292 2.878 10 0 CFAEMO C[C@@H](C1CC1)[N@@H+](C)CC(=O)c1ccc(F)c(F)c1 ZINC000037338694 173139330 /nfs/dbraw/zinc/13/93/30/173139330.db2.gz QRSJGYLLVKHWGL-VIFPVBQESA-N 1 1 253.292 2.878 10 0 CFAEMO COc1ccc(C(=O)[C@H](C)[N@@H+](C)[C@@H](C)C2CC2)cc1 ZINC000037338901 173140268 /nfs/dbraw/zinc/14/02/68/173140268.db2.gz RYGVRPZJONBJRB-RYUDHWBXSA-N 1 1 261.365 2.997 10 0 CFAEMO CC[C@@H]1CCC[N@H+](CC(=O)c2ccccc2OC)C1 ZINC000037339621 173140636 /nfs/dbraw/zinc/14/06/36/173140636.db2.gz UZIFTPIIZZIPQE-CYBMUJFWSA-N 1 1 261.365 3.000 10 0 CFAEMO CC[C@@H]1CCC[N@@H+](CC(=O)c2ccccc2OC)C1 ZINC000037339621 173140637 /nfs/dbraw/zinc/14/06/37/173140637.db2.gz UZIFTPIIZZIPQE-CYBMUJFWSA-N 1 1 261.365 3.000 10 0 CFAEMO CC[N@@H+](CC(C)C)[C@H](CN)c1ccc2c(c1)CCO2 ZINC000037363790 173153285 /nfs/dbraw/zinc/15/32/85/173153285.db2.gz ODIYTLAJYLNOQV-OAHLLOKOSA-N 1 1 262.397 2.599 10 0 CFAEMO CCN(CC(C)C)[C@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037363790 173153288 /nfs/dbraw/zinc/15/32/88/173153288.db2.gz ODIYTLAJYLNOQV-OAHLLOKOSA-N 1 1 262.397 2.599 10 0 CFAEMO CC(C)[N@H+](C)Cc1c(N)cccc1Br ZINC000037401781 173178032 /nfs/dbraw/zinc/17/80/32/173178032.db2.gz MKYKOMHJUONQQE-UHFFFAOYSA-N 1 1 257.175 2.872 10 0 CFAEMO CC(C)[N@@H+](C)Cc1c(N)cccc1Br ZINC000037401781 173178034 /nfs/dbraw/zinc/17/80/34/173178034.db2.gz MKYKOMHJUONQQE-UHFFFAOYSA-N 1 1 257.175 2.872 10 0 CFAEMO [NH3+]CCCCCc1nc2ccc(Br)cc2[nH]1 ZINC000037441119 173210118 /nfs/dbraw/zinc/21/01/18/173210118.db2.gz QDSNYXUUNQJJGW-UHFFFAOYSA-N 1 1 282.185 2.997 10 0 CFAEMO CC(C)C[C@@H](CN(C)C)[NH2+]Cc1ccc(Cl)o1 ZINC000037509519 173243481 /nfs/dbraw/zinc/24/34/81/173243481.db2.gz WUMYEZXGYKYSFE-NSHDSACASA-N 1 1 258.793 2.999 10 0 CFAEMO COC(=O)[C@@]1([NH2+]C2CC2)CCCC[C@@H]1C(C)(C)C ZINC000037513928 173245301 /nfs/dbraw/zinc/24/53/01/173245301.db2.gz HAAGALZUDSOBIW-IUODEOHRSA-N 1 1 253.386 2.887 10 0 CFAEMO COc1ccc([C@@H](C)[NH2+][C@H](C)c2cc[nH]n2)cc1F ZINC000037907842 173840498 /nfs/dbraw/zinc/84/04/98/173840498.db2.gz ROQLZQPTBYLWGO-NXEZZACHSA-N 1 1 263.316 2.969 10 0 CFAEMO CC[C@@H](C)[NH2+][C@H](C(N)=O)c1c(Cl)cccc1Cl ZINC000038064996 174075432 /nfs/dbraw/zinc/07/54/32/174075432.db2.gz VFKLJXDHEASYQC-HQJQHLMTSA-N 1 1 275.179 2.908 10 0 CFAEMO CCOC(=O)[C@@](C)(CC(C)(C)OC)[NH2+][C@H](C)CC ZINC000038067526 174079054 /nfs/dbraw/zinc/07/90/54/174079054.db2.gz XTWBGAPZJXVIAU-BXUZGUMPSA-N 1 1 259.390 2.511 10 0 CFAEMO COc1c(C)c[nH+]c(Cn2cc(Br)cn2)c1C ZINC000038074772 174084542 /nfs/dbraw/zinc/08/45/42/174084542.db2.gz MGEYQIHPOXCGSP-UHFFFAOYSA-N 1 1 296.168 2.714 10 0 CFAEMO OC[C@H]([NH2+]Cc1cccs1)c1ccc(F)cc1F ZINC000038123806 174130188 /nfs/dbraw/zinc/13/01/88/174130188.db2.gz OZBKZQLQDRYRII-ZDUSSCGKSA-N 1 1 269.316 2.850 10 0 CFAEMO COc1ccc([C@H](N)C[N@H+](C)Cc2ccccc2)cc1 ZINC000038137751 174133555 /nfs/dbraw/zinc/13/35/55/174133555.db2.gz LSJMHEGRHDNTKX-QGZVFWFLSA-N 1 1 270.376 2.827 10 0 CFAEMO COc1ccc([C@H](N)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000038137751 174133556 /nfs/dbraw/zinc/13/35/56/174133556.db2.gz LSJMHEGRHDNTKX-QGZVFWFLSA-N 1 1 270.376 2.827 10 0 CFAEMO CCC[NH+](CCC)[C@@H](CN)c1cccc(OC)c1OC ZINC000038860432 174158316 /nfs/dbraw/zinc/15/83/16/174158316.db2.gz JXCPNZNZNVJHDN-AWEZNQCLSA-N 1 1 280.412 2.826 10 0 CFAEMO CC(C)Oc1cccc([C@@]2(O)CC[N@@H+](C)C[C@@H]2C)c1 ZINC000039022700 174161443 /nfs/dbraw/zinc/16/14/43/174161443.db2.gz DFKRLCHQGGQAOS-XJKSGUPXSA-N 1 1 263.381 2.633 10 0 CFAEMO OC[C@@H]1CCCC[N@H+]1Cc1ccc2ccccc2n1 ZINC000039225912 174166670 /nfs/dbraw/zinc/16/66/70/174166670.db2.gz GWBMWROSOMRQDM-HNNXBMFYSA-N 1 1 256.349 2.582 10 0 CFAEMO COc1cccc([C@H](CN)[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000039789067 174173343 /nfs/dbraw/zinc/17/33/43/174173343.db2.gz HBRFZQNSUKRMLU-ZENOOKHLSA-N 1 1 262.397 2.958 10 0 CFAEMO COc1cccc([C@H](CN)[N@@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000039789067 174173344 /nfs/dbraw/zinc/17/33/44/174173344.db2.gz HBRFZQNSUKRMLU-ZENOOKHLSA-N 1 1 262.397 2.958 10 0 CFAEMO Cc1cc(Br)ccc1[C@@H](O)Cc1[nH]cc[nH+]1 ZINC000040261620 174217296 /nfs/dbraw/zinc/21/72/96/174217296.db2.gz XRAHKHRGSTYMLC-NSHDSACASA-N 1 1 281.153 2.757 10 0 CFAEMO C[C@@H]1CCCC[N@H+]1CCCNc1cc(Cl)ncn1 ZINC000040432006 174260177 /nfs/dbraw/zinc/26/01/77/174260177.db2.gz RQJKFSPPQKEDEY-LLVKDONJSA-N 1 1 268.792 2.806 10 0 CFAEMO Brc1ccc(-c2nc([C@@H]3CCCC[NH2+]3)no2)o1 ZINC000040443370 174263544 /nfs/dbraw/zinc/26/35/44/174263544.db2.gz UMLYVYPYDTUJEN-ZETCQYMHSA-N 1 1 298.140 2.907 10 0 CFAEMO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc[nH]n2)cc1OC ZINC000040491022 174292573 /nfs/dbraw/zinc/29/25/73/174292573.db2.gz HPHGFMOPWDTUEO-MNOVXSKESA-N 1 1 275.352 2.839 10 0 CFAEMO CC[N@H+]1CCC[C@@H](NCc2c(F)cccc2F)C1 ZINC000040502052 174298014 /nfs/dbraw/zinc/29/80/14/174298014.db2.gz YICRJQWRJWYWHF-LLVKDONJSA-N 1 1 254.324 2.539 10 0 CFAEMO CCN1CCC[C@@H]([NH2+]Cc2c(F)cccc2F)C1 ZINC000040502052 174298015 /nfs/dbraw/zinc/29/80/15/174298015.db2.gz YICRJQWRJWYWHF-LLVKDONJSA-N 1 1 254.324 2.539 10 0 CFAEMO CC[N@@H+]1CCC[C@@H](NCc2cc(C)ccc2OC)C1 ZINC000040502670 174298691 /nfs/dbraw/zinc/29/86/91/174298691.db2.gz CTRPFGIGQDKZCJ-OAHLLOKOSA-N 1 1 262.397 2.578 10 0 CFAEMO CC[N@H+]1CCC[C@@H](NCc2cc(C)ccc2OC)C1 ZINC000040502670 174298692 /nfs/dbraw/zinc/29/86/92/174298692.db2.gz CTRPFGIGQDKZCJ-OAHLLOKOSA-N 1 1 262.397 2.578 10 0 CFAEMO CC[N@@H+]1CCC[C@H](N[C@@H](C)c2ccc(OC)cc2OC)C1 ZINC000040502359 174298838 /nfs/dbraw/zinc/29/88/38/174298838.db2.gz LITYYBGVYRRBRG-KBPBESRZSA-N 1 1 292.423 2.839 10 0 CFAEMO CC[N@H+]1CCC[C@H](N[C@@H](C)c2ccc(OC)cc2OC)C1 ZINC000040502359 174298840 /nfs/dbraw/zinc/29/88/40/174298840.db2.gz LITYYBGVYRRBRG-KBPBESRZSA-N 1 1 292.423 2.839 10 0 CFAEMO CC(C)Oc1cccc([C@H](CN)[N@H+](C)C2CCOCC2)c1 ZINC000040641277 174364227 /nfs/dbraw/zinc/36/42/27/174364227.db2.gz HELIMOVUZNTRTJ-KRWDZBQOSA-N 1 1 292.423 2.584 10 0 CFAEMO CC(C)Oc1cccc([C@H](CN)[N@@H+](C)C2CCOCC2)c1 ZINC000040641277 174364229 /nfs/dbraw/zinc/36/42/29/174364229.db2.gz HELIMOVUZNTRTJ-KRWDZBQOSA-N 1 1 292.423 2.584 10 0 CFAEMO CC(C)Nc1[nH+]cnc(N(C)Cc2ccccc2)c1N ZINC000040662158 174365894 /nfs/dbraw/zinc/36/58/94/174365894.db2.gz WQOPWHMFYUHJBW-UHFFFAOYSA-N 1 1 271.368 2.516 10 0 CFAEMO Cc1sc2ncnc(N[C@@H]3CCC[N@H+](C)C3)c2c1C ZINC000040673571 174372328 /nfs/dbraw/zinc/37/23/28/174372328.db2.gz RDTSNIZKOGFPGO-LLVKDONJSA-N 1 1 276.409 2.814 10 0 CFAEMO CCOC1CC[NH+](C[C@H](N)c2cc(C)ccc2OC)CC1 ZINC000040689260 174375885 /nfs/dbraw/zinc/37/58/85/174375885.db2.gz DRFUMFDPPDVSKF-INIZCTEOSA-N 1 1 292.423 2.504 10 0 CFAEMO CCOC1CC[NH+](C[C@H](N)c2ccc(CC)cc2)CC1 ZINC000040689221 174376099 /nfs/dbraw/zinc/37/60/99/174376099.db2.gz KWXPUCBVDMXASK-KRWDZBQOSA-N 1 1 276.424 2.750 10 0 CFAEMO CCOC1CC[NH+]([C@@H](C)[C@@H](N)c2ccccc2)CC1 ZINC000040689297 174376616 /nfs/dbraw/zinc/37/66/16/174376616.db2.gz WJZPRFMJSJSGIY-XJKSGUPXSA-N 1 1 262.397 2.576 10 0 CFAEMO CCCCNc1[nH+]cnc(N2CCCCCC2)c1N ZINC000040706417 174379713 /nfs/dbraw/zinc/37/97/13/174379713.db2.gz WNLCYEZCFZXKMO-UHFFFAOYSA-N 1 1 263.389 2.651 10 0 CFAEMO CCCCNc1nc[nH+]c(N2CCCCCC2)c1N ZINC000040706417 174379714 /nfs/dbraw/zinc/37/97/14/174379714.db2.gz WNLCYEZCFZXKMO-UHFFFAOYSA-N 1 1 263.389 2.651 10 0 CFAEMO C[N@H+]1CCC[C@@H](N2C(=S)N=NC2c2ccccc2)C1 ZINC000040715903 174383709 /nfs/dbraw/zinc/38/37/09/174383709.db2.gz OGGXQBMGKTYHKY-GFCCVEGCSA-N 1 1 274.393 2.501 10 0 CFAEMO C[C@@H]1CC[N@@H+](CCCC(=O)Nc2ccc(N)cc2Cl)C1 ZINC000040716896 174384404 /nfs/dbraw/zinc/38/44/04/174384404.db2.gz LZZGDAWGOSCVAM-LLVKDONJSA-N 1 1 295.814 2.983 10 0 CFAEMO CCN(Cc1cccc(F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747469 174392553 /nfs/dbraw/zinc/39/25/53/174392553.db2.gz UKYCOXYWDDYADF-XYPWUTKMSA-N 1 1 262.372 2.931 10 0 CFAEMO CCN(Cc1ccc(OC)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748202 174393401 /nfs/dbraw/zinc/39/34/01/174393401.db2.gz UAGDNYROJAGBMV-YIONKMFJSA-N 1 1 292.398 2.939 10 0 CFAEMO Nc1c(NCc2ccco2)nc[nH+]c1NC1CCCC1 ZINC000040761432 174397133 /nfs/dbraw/zinc/39/71/33/174397133.db2.gz URJUQCUZHSDLSU-UHFFFAOYSA-N 1 1 273.340 2.618 10 0 CFAEMO Nc1c(NC2CCCC2)nc[nH+]c1NCc1ccco1 ZINC000040761432 174397134 /nfs/dbraw/zinc/39/71/34/174397134.db2.gz URJUQCUZHSDLSU-UHFFFAOYSA-N 1 1 273.340 2.618 10 0 CFAEMO Cc1nc2sccn2c1C[NH2+]CCN1CCCCCC1 ZINC000040767825 174398275 /nfs/dbraw/zinc/39/82/75/174398275.db2.gz FUZIZQVGYYRGSJ-UHFFFAOYSA-N 1 1 292.452 2.670 10 0 CFAEMO COc1ccc([C@@H]([NH3+])c2nc(C)c(C)s2)c(OC)c1 ZINC000041182490 174505715 /nfs/dbraw/zinc/50/57/15/174505715.db2.gz GMPBCOHKENCJQH-CYBMUJFWSA-N 1 1 278.377 2.825 10 0 CFAEMO CCC[C@@H](C)CN1c2cc(F)cc(F)c2[C@H]([NH3+])C1=O ZINC000042134810 174639717 /nfs/dbraw/zinc/63/97/17/174639717.db2.gz OMPGODKHYFBCNG-OQPBUACISA-N 1 1 268.307 2.747 10 0 CFAEMO CC[C@H]([NH3+])[C@H](Sc1nnc(C)[nH]1)c1cccs1 ZINC000043114841 174974793 /nfs/dbraw/zinc/97/47/93/174974793.db2.gz DCLAUFJNAZRCPU-WPRPVWTQSA-N 1 1 268.411 2.745 10 0 CFAEMO CC[C@H]([NH3+])[C@H](Sc1nc(C)n[nH]1)c1cccs1 ZINC000043114841 174974794 /nfs/dbraw/zinc/97/47/94/174974794.db2.gz DCLAUFJNAZRCPU-WPRPVWTQSA-N 1 1 268.411 2.745 10 0 CFAEMO CCO[C@H]1CCC[N@@H+]([C@@H](CN)c2cccc(C)c2C)C1 ZINC000043315000 175004770 /nfs/dbraw/zinc/00/47/70/175004770.db2.gz NVNSDHRUTZDCPT-RDJZCZTQSA-N 1 1 276.424 2.804 10 0 CFAEMO CCO[C@H]1CCC[N@H+]([C@@H](CN)c2cccc(C)c2C)C1 ZINC000043315000 175004771 /nfs/dbraw/zinc/00/47/71/175004771.db2.gz NVNSDHRUTZDCPT-RDJZCZTQSA-N 1 1 276.424 2.804 10 0 CFAEMO Cc1cccc([C@H]([NH2+]Cc2ccccc2)C(N)=O)c1C ZINC000043315213 175004947 /nfs/dbraw/zinc/00/49/47/175004947.db2.gz SBJHTEXNSRYKDT-INIZCTEOSA-N 1 1 268.360 2.620 10 0 CFAEMO CC[C@@H](N)[C@@H](c1ccccn1)[N@H+](CC(C)C)C1CC1 ZINC000043340922 175014294 /nfs/dbraw/zinc/01/42/94/175014294.db2.gz ZMPKDWAPGFXUNC-ZBFHGGJFSA-N 1 1 261.413 2.980 10 0 CFAEMO CC[C@@H](N)[C@@H](c1ccccn1)[N@@H+](CC(C)C)C1CC1 ZINC000043340922 175014296 /nfs/dbraw/zinc/01/42/96/175014296.db2.gz ZMPKDWAPGFXUNC-ZBFHGGJFSA-N 1 1 261.413 2.980 10 0 CFAEMO C[C@@H](N)[C@@H](c1cccnc1)[N@H+](C)CC1CCCCC1 ZINC000043347688 175017801 /nfs/dbraw/zinc/01/78/01/175017801.db2.gz LVZXWSARYADATE-CJNGLKHVSA-N 1 1 261.413 2.982 10 0 CFAEMO C[C@@H](N)[C@@H](c1cccnc1)[N@@H+](C)CC1CCCCC1 ZINC000043347688 175017802 /nfs/dbraw/zinc/01/78/02/175017802.db2.gz LVZXWSARYADATE-CJNGLKHVSA-N 1 1 261.413 2.982 10 0 CFAEMO CCC1CCC([N@H+](C)[C@@H](CN)c2ccncc2)CC1 ZINC000043354300 175021212 /nfs/dbraw/zinc/02/12/12/175021212.db2.gz KTVYVWQTFHKABK-BCLQGDPASA-N 1 1 261.413 2.982 10 0 CFAEMO CCC1CCC([N@@H+](C)[C@@H](CN)c2ccncc2)CC1 ZINC000043354300 175021214 /nfs/dbraw/zinc/02/12/14/175021214.db2.gz KTVYVWQTFHKABK-BCLQGDPASA-N 1 1 261.413 2.982 10 0 CFAEMO CC[C@@H](N)[C@@H](c1ccncc1)[NH+]1CCC(CC)CC1 ZINC000043354070 175021562 /nfs/dbraw/zinc/02/15/62/175021562.db2.gz MYYFLQVTCYKUFP-HZPDHXFCSA-N 1 1 261.413 2.982 10 0 CFAEMO C[C@@H](N)[C@H](c1ccncc1)[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000043354261 175021605 /nfs/dbraw/zinc/02/16/05/175021605.db2.gz GJIBHGQHSVJOFS-RRCSTGOVSA-N 1 1 261.413 2.980 10 0 CFAEMO C[C@@H](N)[C@H](c1ccncc1)[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000043354261 175021607 /nfs/dbraw/zinc/02/16/07/175021607.db2.gz GJIBHGQHSVJOFS-RRCSTGOVSA-N 1 1 261.413 2.980 10 0 CFAEMO CCOC1CC[NH+]([C@H](CN)c2cc(C)cc(C)c2)CC1 ZINC000043394259 175034924 /nfs/dbraw/zinc/03/49/24/175034924.db2.gz CCZBILKLBOYPRG-QGZVFWFLSA-N 1 1 276.424 2.804 10 0 CFAEMO CC(C)C[N@@H+](CCC(N)=S)Cc1ccccc1 ZINC000043418182 175038275 /nfs/dbraw/zinc/03/82/75/175038275.db2.gz MMIKRABCLJDAIQ-UHFFFAOYSA-N 1 1 250.411 2.821 10 0 CFAEMO c1cc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)cc2c1NCC2 ZINC000043428148 175041412 /nfs/dbraw/zinc/04/14/12/175041412.db2.gz ZATVNWNLKLLMBR-IRXDYDNUSA-N 1 1 272.392 2.798 10 0 CFAEMO CC[C@@H](C(N)=S)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000043540240 175063777 /nfs/dbraw/zinc/06/37/77/175063777.db2.gz SBAFTWIXGGSKEV-QMMMGPOBSA-N 1 1 262.831 2.898 10 0 CFAEMO C[C@@H](C(=O)Nc1cc(N)ccc1F)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000043559847 175065917 /nfs/dbraw/zinc/06/59/17/175065917.db2.gz KAOQJHIFWJSVSS-AXFHLTTASA-N 1 1 279.359 2.608 10 0 CFAEMO CC(C)C[C@@H]([NH3+])C(=O)O[C@H]1CCCc2ccccc21 ZINC000043561973 175066440 /nfs/dbraw/zinc/06/64/40/175066440.db2.gz QWMBOYLQCODNDE-CABCVRRESA-N 1 1 261.365 2.981 10 0 CFAEMO CC(C)[N@@H+](CC1CC1)C[C@H]1NCCc2ccccc21 ZINC000043596280 175076523 /nfs/dbraw/zinc/07/65/23/175076523.db2.gz HTEHBUXHXAOCFR-QGZVFWFLSA-N 1 1 258.409 2.994 10 0 CFAEMO CC(C)N(CC1CC1)C[C@H]1[NH2+]CCc2ccccc21 ZINC000043596280 175076524 /nfs/dbraw/zinc/07/65/24/175076524.db2.gz HTEHBUXHXAOCFR-QGZVFWFLSA-N 1 1 258.409 2.994 10 0 CFAEMO Fc1ccc2[nH]c([C@@H]3[NH2+]CCc4ccccc43)nc2c1 ZINC000043600661 175077543 /nfs/dbraw/zinc/07/75/43/175077543.db2.gz FZYAKOJHKUWDOJ-OAHLLOKOSA-N 1 1 267.307 2.937 10 0 CFAEMO CCOC(=O)C[C@H](C)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000043622829 175080905 /nfs/dbraw/zinc/08/09/05/175080905.db2.gz RSDGZYNQIQQVNW-MELADBBJSA-N 1 1 253.386 2.840 10 0 CFAEMO CCOC(=O)[C@H](C)[N@H+](Cc1cccs1)C(C)C ZINC000043638780 175084058 /nfs/dbraw/zinc/08/40/58/175084058.db2.gz DXHRPNVNUARTFH-NSHDSACASA-N 1 1 255.383 2.910 10 0 CFAEMO CCOC(=O)[C@H](C)[N@@H+](Cc1cccs1)C(C)C ZINC000043638780 175084059 /nfs/dbraw/zinc/08/40/59/175084059.db2.gz DXHRPNVNUARTFH-NSHDSACASA-N 1 1 255.383 2.910 10 0 CFAEMO C[C@H](O)c1nc2cc([C@H]([NH3+])c3ccccc3)ccc2[nH]1 ZINC000043647187 175084892 /nfs/dbraw/zinc/08/48/92/175084892.db2.gz RIGKYCBSGGAGKP-ZUZCIYMTSA-N 1 1 267.332 2.664 10 0 CFAEMO CCN1CCN([C@@H]2C[C@@H](C(C)(C)CC)CC[C@@H]2[NH2+]C)CC1 ZINC000043805702 175107588 /nfs/dbraw/zinc/10/75/88/175107588.db2.gz HQVWKVMMHQWLQQ-YESZJQIVSA-N 1 1 295.515 2.817 10 0 CFAEMO CC[NH2+][C@@H](CN1CCN(CC)CC1)c1ccc(CC)cc1 ZINC000043806096 175108209 /nfs/dbraw/zinc/10/82/09/175108209.db2.gz NIFJOWNRENBGNZ-SFHVURJKSA-N 1 1 289.467 2.537 10 0 CFAEMO CCN[C@H]1c2ccc(OC)cc2CC[C@H]1[NH+]1CCCC1 ZINC000043807500 175108238 /nfs/dbraw/zinc/10/82/38/175108238.db2.gz MEVFTQNVWJFBOV-SJORKVTESA-N 1 1 274.408 2.756 10 0 CFAEMO CCC[NH2+][C@H]1CC[C@@H](CC)C[C@@H]1N1CCN(CC)CC1 ZINC000043806208 175108279 /nfs/dbraw/zinc/10/82/79/175108279.db2.gz LWHGGVYNUVMHOP-IKGGRYGDSA-N 1 1 281.488 2.571 10 0 CFAEMO CCC[NH2+][C@H]1CC[C@@H](C(C)(C)C)C[C@@H]1N1CCN(C)CC1 ZINC000043810990 175110192 /nfs/dbraw/zinc/11/01/92/175110192.db2.gz YIBAYRGRAQQFQK-IKGGRYGDSA-N 1 1 295.515 2.817 10 0 CFAEMO CCC[NH2+][C@H]1CC[C@H](C(C)(C)C)C[C@@H]1N1CCN(C)CC1 ZINC000043810986 175110299 /nfs/dbraw/zinc/11/02/99/175110299.db2.gz YIBAYRGRAQQFQK-ULQDDVLXSA-N 1 1 295.515 2.817 10 0 CFAEMO CC[NH2+][C@@H](c1ccc(CC)cc1)[C@H](C)N1CCN(C)CC1 ZINC000043810890 175110449 /nfs/dbraw/zinc/11/04/49/175110449.db2.gz QJSGFMGAMRWCML-MAUKXSAKSA-N 1 1 289.467 2.536 10 0 CFAEMO CCCC[N@H+](C)C[C@@H](NC)c1ccc(OC)c(OC)c1 ZINC000043816807 175112307 /nfs/dbraw/zinc/11/23/07/175112307.db2.gz SOCIJYTZORJSBG-CQSZACIVSA-N 1 1 280.412 2.696 10 0 CFAEMO CCCC[N@@H+](C)C[C@@H](NC)c1ccc(OC)c(OC)c1 ZINC000043816807 175112308 /nfs/dbraw/zinc/11/23/08/175112308.db2.gz SOCIJYTZORJSBG-CQSZACIVSA-N 1 1 280.412 2.696 10 0 CFAEMO CCCC[N@H+](C)C[C@@H](NC)c1ccc(OC)cc1 ZINC000043816719 175112318 /nfs/dbraw/zinc/11/23/18/175112318.db2.gz XSHNCYVGBOMZHE-OAHLLOKOSA-N 1 1 250.386 2.688 10 0 CFAEMO CCCC[N@@H+](C)C[C@@H](NC)c1ccc(OC)cc1 ZINC000043816719 175112319 /nfs/dbraw/zinc/11/23/19/175112319.db2.gz XSHNCYVGBOMZHE-OAHLLOKOSA-N 1 1 250.386 2.688 10 0 CFAEMO CCC[N@H+](C)C[C@@H](NCC)c1ccc(OC)c(OC)c1 ZINC000043886167 175116728 /nfs/dbraw/zinc/11/67/28/175116728.db2.gz UIYSYTLQLREGJP-CQSZACIVSA-N 1 1 280.412 2.696 10 0 CFAEMO CCC[N@@H+](C)C[C@@H](NCC)c1ccc(OC)c(OC)c1 ZINC000043886167 175116729 /nfs/dbraw/zinc/11/67/29/175116729.db2.gz UIYSYTLQLREGJP-CQSZACIVSA-N 1 1 280.412 2.696 10 0 CFAEMO CCC[N@H+](C)[C@H]1CCc2cc(OC)ccc2[C@@H]1NC ZINC000043885985 175116749 /nfs/dbraw/zinc/11/67/49/175116749.db2.gz HHPCHHUGZGTOBC-HOTGVXAUSA-N 1 1 262.397 2.612 10 0 CFAEMO CCC[N@@H+](C)[C@H]1CCc2cc(OC)ccc2[C@@H]1NC ZINC000043885985 175116750 /nfs/dbraw/zinc/11/67/50/175116750.db2.gz HHPCHHUGZGTOBC-HOTGVXAUSA-N 1 1 262.397 2.612 10 0 CFAEMO CCC[N@H+](C[C@@H](NC)c1ccc(OC)cc1OC)C1CC1 ZINC000043885334 175116802 /nfs/dbraw/zinc/11/68/02/175116802.db2.gz FRCBUUGNQAYHIT-MRXNPFEDSA-N 1 1 292.423 2.839 10 0 CFAEMO CCC[N@@H+](C[C@@H](NC)c1ccc(OC)cc1OC)C1CC1 ZINC000043885334 175116803 /nfs/dbraw/zinc/11/68/03/175116803.db2.gz FRCBUUGNQAYHIT-MRXNPFEDSA-N 1 1 292.423 2.839 10 0 CFAEMO CC[NH2+][C@H]1CCCCCC[C@H]1N1CCC(OC)CC1 ZINC000043890185 175118150 /nfs/dbraw/zinc/11/81/50/175118150.db2.gz IICBOGBISMEWTA-JKSUJKDBSA-N 1 1 268.445 2.798 10 0 CFAEMO CN[C@@H](C[N@@H+](C)[C@@H](C)C(C)C)c1ccc(OC)c(OC)c1 ZINC000043895398 175119606 /nfs/dbraw/zinc/11/96/06/175119606.db2.gz NOTHSYJXGIXHJB-ZFWWWQNUSA-N 1 1 294.439 2.941 10 0 CFAEMO C[NH2+][C@@H](CN(C)[C@@H](C)C(C)C)c1ccc(OC)c(OC)c1 ZINC000043895398 175119608 /nfs/dbraw/zinc/11/96/08/175119608.db2.gz NOTHSYJXGIXHJB-ZFWWWQNUSA-N 1 1 294.439 2.941 10 0 CFAEMO CN[C@H](C[N@H+](C)C1CCOCC1)c1cc2ccccc2o1 ZINC000043898289 175121361 /nfs/dbraw/zinc/12/13/61/175121361.db2.gz QVDHNPHLGZYGOY-OAHLLOKOSA-N 1 1 288.391 2.804 10 0 CFAEMO CN[C@H](C[N@@H+](C)C1CCOCC1)c1cc2ccccc2o1 ZINC000043898289 175121363 /nfs/dbraw/zinc/12/13/63/175121363.db2.gz QVDHNPHLGZYGOY-OAHLLOKOSA-N 1 1 288.391 2.804 10 0 CFAEMO CN[C@H](c1ccc(C)cc1)[C@@H](C)[N@H+](C)C1CCOCC1 ZINC000043898220 175121478 /nfs/dbraw/zinc/12/14/78/175121478.db2.gz MQFOMJIBEKNOPR-PBHICJAKSA-N 1 1 276.424 2.755 10 0 CFAEMO CN[C@H](c1ccc(C)cc1)[C@@H](C)[N@@H+](C)C1CCOCC1 ZINC000043898220 175121479 /nfs/dbraw/zinc/12/14/79/175121479.db2.gz MQFOMJIBEKNOPR-PBHICJAKSA-N 1 1 276.424 2.755 10 0 CFAEMO CN[C@H](c1ccc(C)cc1)[C@H](C)[N@H+](C)C1CCOCC1 ZINC000043898224 175121580 /nfs/dbraw/zinc/12/15/80/175121580.db2.gz MQFOMJIBEKNOPR-YOEHRIQHSA-N 1 1 276.424 2.755 10 0 CFAEMO CN[C@H](c1ccc(C)cc1)[C@H](C)[N@@H+](C)C1CCOCC1 ZINC000043898224 175121581 /nfs/dbraw/zinc/12/15/81/175121581.db2.gz MQFOMJIBEKNOPR-YOEHRIQHSA-N 1 1 276.424 2.755 10 0 CFAEMO CCN[C@@H]1c2ccccc2CC[C@@H]1[N@H+](C)CC1CC1 ZINC000043906216 175122759 /nfs/dbraw/zinc/12/27/59/175122759.db2.gz UMCGNUOIXCQLHE-DLBZAZTESA-N 1 1 258.409 2.994 10 0 CFAEMO CCN[C@@H]1c2ccccc2CC[C@@H]1[N@@H+](C)CC1CC1 ZINC000043906216 175122760 /nfs/dbraw/zinc/12/27/60/175122760.db2.gz UMCGNUOIXCQLHE-DLBZAZTESA-N 1 1 258.409 2.994 10 0 CFAEMO CCC[NH2+][C@@H]1CCOC[C@H]1N(CC(C)C)CC(C)C ZINC000043909742 175123357 /nfs/dbraw/zinc/12/33/57/175123357.db2.gz MANAINIJIMGZAR-HZPDHXFCSA-N 1 1 270.461 2.758 10 0 CFAEMO CCC[N@@H+](CC1CC1)[C@@H]1Cc2ccccc2[C@@H]1NC ZINC000043967361 175128686 /nfs/dbraw/zinc/12/86/86/175128686.db2.gz ZIQWDSVAXGNCIY-SJORKVTESA-N 1 1 258.409 2.994 10 0 CFAEMO CCCN(CC1CC1)[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C ZINC000043967361 175128688 /nfs/dbraw/zinc/12/86/88/175128688.db2.gz ZIQWDSVAXGNCIY-SJORKVTESA-N 1 1 258.409 2.994 10 0 CFAEMO CCC[NH2+][C@@H]1CCCCCC[C@@H]1N1CCN(C2CC2)CC1 ZINC000043967777 175129193 /nfs/dbraw/zinc/12/91/93/175129193.db2.gz MKVNGTAIWDGWGO-MSOLQXFVSA-N 1 1 293.499 2.857 10 0 CFAEMO CC[NH2+][C@@H](c1ccccc1)[C@@H](C)N1CCN(C2CC2)CC1 ZINC000043967661 175129239 /nfs/dbraw/zinc/12/92/39/175129239.db2.gz FNHSDOQPAUSLIB-CRAIPNDOSA-N 1 1 287.451 2.506 10 0 CFAEMO CC[NH2+][C@H]1CCCC[C@@H]1N(CCOC)CC(C)C ZINC000043970441 175131065 /nfs/dbraw/zinc/13/10/65/175131065.db2.gz PDHALOTXUARYMX-GJZGRUSLSA-N 1 1 256.434 2.512 10 0 CFAEMO CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N(CCOC)CC(C)C ZINC000043970369 175131118 /nfs/dbraw/zinc/13/11/18/175131118.db2.gz KSDBZNDKJQTAQE-JYJNAYRXSA-N 1 1 270.461 2.758 10 0 CFAEMO CCC[NH2+][C@H]1CCCC[C@@H]1N(CCOC)CC(C)C ZINC000043970512 175131440 /nfs/dbraw/zinc/13/14/40/175131440.db2.gz HANBAUOKUBUUNO-HOTGVXAUSA-N 1 1 270.461 2.902 10 0 CFAEMO C[NH2+][C@@H](C)c1ccc(OC)c(CN(CCOC)C2CC2)c1 ZINC000043969840 175131508 /nfs/dbraw/zinc/13/15/08/175131508.db2.gz MERAMWLFEAAATC-ZDUSSCGKSA-N 1 1 292.423 2.586 10 0 CFAEMO CN[C@H]1c2ccccc2CC[C@@H]1[N@H+](CCOC)CC(C)C ZINC000043970325 175131579 /nfs/dbraw/zinc/13/15/79/175131579.db2.gz SDLCVUDCSWPKIR-ROUUACIJSA-N 1 1 290.451 2.866 10 0 CFAEMO CN[C@H]1c2ccccc2CC[C@@H]1[N@@H+](CCOC)CC(C)C ZINC000043970325 175131581 /nfs/dbraw/zinc/13/15/81/175131581.db2.gz SDLCVUDCSWPKIR-ROUUACIJSA-N 1 1 290.451 2.866 10 0 CFAEMO CCC[C@@H]([NH2+]C)[C@H](CC)N(CCOC)[C@@H](C)CC ZINC000043973197 175132965 /nfs/dbraw/zinc/13/29/65/175132965.db2.gz QCPXHYHLRSKHBM-ZNMIVQPWSA-N 1 1 258.450 2.900 10 0 CFAEMO CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N(CCOC)[C@@H](C)C1CC1 ZINC000043977579 175133461 /nfs/dbraw/zinc/13/34/61/175133461.db2.gz UIZMBWFPYRQVCI-WTTBNOFXSA-N 1 1 282.472 2.900 10 0 CFAEMO Cc1cc(C)c([C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000044117015 175142098 /nfs/dbraw/zinc/14/20/98/175142098.db2.gz GWVUAPHZIOEELK-OWCLPIDISA-N 1 1 277.408 2.754 10 0 CFAEMO Cc1cc(C)c([C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000044117019 175142254 /nfs/dbraw/zinc/14/22/54/175142254.db2.gz GWVUAPHZIOEELK-XHSDSOJGSA-N 1 1 277.408 2.754 10 0 CFAEMO COc1ccc([C@H](O)C[N@@H+](C)C2CCCC2)c(OC)c1 ZINC000044128500 175144007 /nfs/dbraw/zinc/14/40/07/175144007.db2.gz YLUPHXSWJWOLKC-OAHLLOKOSA-N 1 1 279.380 2.612 10 0 CFAEMO COc1ccc([C@H](O)[C@@H](C)[N@@H+](C)Cc2ccccn2)cc1 ZINC000044133562 175145270 /nfs/dbraw/zinc/14/52/70/175145270.db2.gz JEKNXHLNHGXPEY-CXAGYDPISA-N 1 1 286.375 2.644 10 0 CFAEMO CC[C@H]1CCC[N@H+]([C@@H]2COc3ccccc3[C@@H]2O)C1 ZINC000044133683 175145693 /nfs/dbraw/zinc/14/56/93/175145693.db2.gz SZCSESWIUWRTOX-BJJXKVORSA-N 1 1 261.365 2.603 10 0 CFAEMO CCC(CC)[N@@H+](C)C[C@H](O)c1ccc(OC)cc1OC ZINC000044134252 175145770 /nfs/dbraw/zinc/14/57/70/175145770.db2.gz RTMNRUJRWRYSOJ-HNNXBMFYSA-N 1 1 281.396 2.858 10 0 CFAEMO C[C@@H]([C@@H](O)c1ccccc1)[N@@H+](C)Cc1ccccn1 ZINC000044133404 175145780 /nfs/dbraw/zinc/14/57/80/175145780.db2.gz RMGTWGGCLVQWHP-XJKSGUPXSA-N 1 1 256.349 2.636 10 0 CFAEMO COCC[N@@H+](C[C@H](O)c1ccc(C)cc1)[C@@H](C)C1CC1 ZINC000044173383 175149020 /nfs/dbraw/zinc/14/90/20/175149020.db2.gz UCMPIBOHUFHMAS-YOEHRIQHSA-N 1 1 277.408 2.775 10 0 CFAEMO COc1ccccc1C[N@@H+](C)[C@H]1CCCCC[C@@H]1O ZINC000044171547 175149569 /nfs/dbraw/zinc/14/95/69/175149569.db2.gz RXWZJIDWIPJCPY-GJZGRUSLSA-N 1 1 263.381 2.821 10 0 CFAEMO CC[C@@H]1CO[C@H](C)C[N@H+]1[C@@H]1CCCc2ccccc2[C@@H]1O ZINC000044175953 175150126 /nfs/dbraw/zinc/15/01/26/175150126.db2.gz DNXPSKCBXURFJU-UWIFEVILSA-N 1 1 289.419 2.924 10 0 CFAEMO CC[C@H]([C@@H](O)c1ccccc1)[N@H+]1CCOCC1(C)C ZINC000044178217 175150731 /nfs/dbraw/zinc/15/07/31/175150731.db2.gz MATFYDQOVMSNAP-CABCVRRESA-N 1 1 263.381 2.609 10 0 CFAEMO CCOc1ccc([C@H](C)O)cc1Cn1cc[nH+]c1C ZINC000044180870 175151644 /nfs/dbraw/zinc/15/16/44/175151644.db2.gz WZJXYTWRGHPHIR-NSHDSACASA-N 1 1 260.337 2.692 10 0 CFAEMO CCCN1CCN([C@H](c2ccccc2F)[C@H]([NH3+])CC)CC1 ZINC000044418469 175173159 /nfs/dbraw/zinc/17/31/59/175173159.db2.gz KTECKOSBPMIULR-IAGOWNOFSA-N 1 1 293.430 2.632 10 0 CFAEMO CC[C@H]([NH2+]C[C@H]1CCCN(C)C1)c1ccc(O)cc1 ZINC000044534769 175197706 /nfs/dbraw/zinc/19/77/06/175197706.db2.gz ICRDGHJDJTXDCU-CJNGLKHVSA-N 1 1 262.397 2.775 10 0 CFAEMO CC[C@@H]([NH2+]C[C@@H]1CCCN(C)C1)c1ccc(O)cc1 ZINC000044534767 175197734 /nfs/dbraw/zinc/19/77/34/175197734.db2.gz ICRDGHJDJTXDCU-XJKSGUPXSA-N 1 1 262.397 2.775 10 0 CFAEMO CC[C@H]([NH2+]C[C@@H]1CCCN(C)C1)c1ccc(O)cc1 ZINC000044534765 175197990 /nfs/dbraw/zinc/19/79/90/175197990.db2.gz ICRDGHJDJTXDCU-BBRMVZONSA-N 1 1 262.397 2.775 10 0 CFAEMO C[N@H+]1CCC[C@H](CNc2ccc3cc(N)ccc3n2)C1 ZINC000044535583 175198498 /nfs/dbraw/zinc/19/84/98/175198498.db2.gz YLTIKDFJSZLLKF-GFCCVEGCSA-N 1 1 270.380 2.571 10 0 CFAEMO Cc1[nH]c2ccccc2c1C[N@@H+]1CCCC[C@H]1CN ZINC000044540437 175201051 /nfs/dbraw/zinc/20/10/51/175201051.db2.gz JUJZZSUSBMOXTQ-ZDUSSCGKSA-N 1 1 257.381 2.790 10 0 CFAEMO Cc1[nH]c2ccccc2c1C[N@H+]1CCCC[C@H]1CN ZINC000044540437 175201052 /nfs/dbraw/zinc/20/10/52/175201052.db2.gz JUJZZSUSBMOXTQ-ZDUSSCGKSA-N 1 1 257.381 2.790 10 0 CFAEMO C[N@@H+]1CCCC[C@@H]1CNc1ncccc1Br ZINC000044561309 175204928 /nfs/dbraw/zinc/20/49/28/175204928.db2.gz LALVKDINXGYXAI-SNVBAGLBSA-N 1 1 284.201 2.740 10 0 CFAEMO C[N@H+]1CCCC[C@@H]1CNc1ncccc1Br ZINC000044561309 175204930 /nfs/dbraw/zinc/20/49/30/175204930.db2.gz LALVKDINXGYXAI-SNVBAGLBSA-N 1 1 284.201 2.740 10 0 CFAEMO C[C@H](NC[C@H]1CCCC[N@@H+]1C)c1nc2ccccc2n1C ZINC000044561797 175205004 /nfs/dbraw/zinc/20/50/04/175205004.db2.gz ZQRNSANOXCOUPL-UONOGXRCSA-N 1 1 286.423 2.708 10 0 CFAEMO C[C@H](NC[C@H]1CCCC[N@H+]1C)c1nc2ccccc2n1C ZINC000044561797 175205006 /nfs/dbraw/zinc/20/50/06/175205006.db2.gz ZQRNSANOXCOUPL-UONOGXRCSA-N 1 1 286.423 2.708 10 0 CFAEMO C[N@@H+]1CCCC[C@H]1CNCc1ccc(F)cc1F ZINC000044562177 175205665 /nfs/dbraw/zinc/20/56/65/175205665.db2.gz SBBJOIHQNNJZSN-ZDUSSCGKSA-N 1 1 254.324 2.539 10 0 CFAEMO C[N@H+]1CCCC[C@H]1CNCc1ccc(F)cc1F ZINC000044562177 175205666 /nfs/dbraw/zinc/20/56/66/175205666.db2.gz SBBJOIHQNNJZSN-ZDUSSCGKSA-N 1 1 254.324 2.539 10 0 CFAEMO C[N@@H+]1CCCC[C@@H]1CNCc1ccc(F)cc1F ZINC000044562176 175205777 /nfs/dbraw/zinc/20/57/77/175205777.db2.gz SBBJOIHQNNJZSN-CYBMUJFWSA-N 1 1 254.324 2.539 10 0 CFAEMO C[N@H+]1CCCC[C@@H]1CNCc1ccc(F)cc1F ZINC000044562176 175205778 /nfs/dbraw/zinc/20/57/78/175205778.db2.gz SBBJOIHQNNJZSN-CYBMUJFWSA-N 1 1 254.324 2.539 10 0 CFAEMO Cc1nnc(NC[C@H]2CCCC[N@@H+]2C)c2ccccc12 ZINC000044563276 175206251 /nfs/dbraw/zinc/20/62/51/175206251.db2.gz DOMYRQQTSTWZMU-CYBMUJFWSA-N 1 1 270.380 2.834 10 0 CFAEMO C[N@H+]1CCCC[C@@H]1CNc1c(N)cccc1Cl ZINC000044563748 175207828 /nfs/dbraw/zinc/20/78/28/175207828.db2.gz RTWAVIGHQYPWKL-SNVBAGLBSA-N 1 1 253.777 2.818 10 0 CFAEMO CC(C)[N@@H+](C)CCCCNC(=O)c1ccc(F)cc1 ZINC000044584327 175210643 /nfs/dbraw/zinc/21/06/43/175210643.db2.gz BDZRRMYELROVAZ-UHFFFAOYSA-N 1 1 266.360 2.676 10 0 CFAEMO c1cc2c(s1)CC[NH2+][C@@H]2c1nc2ccccc2[nH]1 ZINC000044592846 175214339 /nfs/dbraw/zinc/21/43/39/175214339.db2.gz BCRKDAQNBYRUHN-ZDUSSCGKSA-N 1 1 255.346 2.860 10 0 CFAEMO CCOC[C@@H](C)[NH2+][C@H](c1cccs1)c1nccn1C ZINC000044691193 175234030 /nfs/dbraw/zinc/23/40/30/175234030.db2.gz LKGPBZSICROKKG-DGCLKSJQSA-N 1 1 279.409 2.586 10 0 CFAEMO Cc1cc(C[NH2+]Cc2c(C)nc3scc(C)n23)on1 ZINC000044986734 175284781 /nfs/dbraw/zinc/28/47/81/175284781.db2.gz TUVMOFNLADEZHG-UHFFFAOYSA-N 1 1 276.365 2.599 10 0 CFAEMO COc1cc(N)ccc1NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C ZINC000045064664 175299578 /nfs/dbraw/zinc/29/95/78/175299578.db2.gz ISUXTCFQGRXTHM-LLVKDONJSA-N 1 1 293.411 2.582 10 0 CFAEMO NC[C@H](c1ccncc1)[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045067557 175299959 /nfs/dbraw/zinc/29/99/59/175299959.db2.gz MQLSWZIIDWZTND-HZPDHXFCSA-N 1 1 259.397 2.736 10 0 CFAEMO [NH3+]C[C@H](c1ccncc1)N1CCC[C@@H]1C1CCCC1 ZINC000045067557 175299961 /nfs/dbraw/zinc/29/99/61/175299961.db2.gz MQLSWZIIDWZTND-HZPDHXFCSA-N 1 1 259.397 2.736 10 0 CFAEMO COc1ccc(C)cc1[C@@H](N)C[N@@H+](C)CC(C)(C)C ZINC000045072572 175302075 /nfs/dbraw/zinc/30/20/75/175302075.db2.gz KAJQAQXMOQAXAJ-AWEZNQCLSA-N 1 1 264.413 2.981 10 0 CFAEMO COc1ccc(C)cc1[C@@H]([NH3+])CN(C)CC(C)(C)C ZINC000045072572 175302076 /nfs/dbraw/zinc/30/20/76/175302076.db2.gz KAJQAQXMOQAXAJ-AWEZNQCLSA-N 1 1 264.413 2.981 10 0 CFAEMO CCOC(=O)C[C@H](C)[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045084019 175303776 /nfs/dbraw/zinc/30/37/76/175303776.db2.gz IYFXPMWHTAGJOD-GXTWGEPZSA-N 1 1 253.386 2.983 10 0 CFAEMO CCC[N@@H+](CC(N)=S)Cc1ccc(F)cc1Cl ZINC000045093486 175306731 /nfs/dbraw/zinc/30/67/31/175306731.db2.gz IYVNGJARCMFTER-UHFFFAOYSA-N 1 1 274.792 2.977 10 0 CFAEMO CCC[N@@H+](CC(N)=S)Cc1ccc2ccccc2n1 ZINC000045093523 175306986 /nfs/dbraw/zinc/30/69/86/175306986.db2.gz QWPUZRVLAZWIKX-UHFFFAOYSA-N 1 1 273.405 2.733 10 0 CFAEMO Cn1ccnc1[C@H]([NH2+][C@H]1CC1(C)C)c1cccs1 ZINC000045117251 175311414 /nfs/dbraw/zinc/31/14/14/175311414.db2.gz IICIQIQMOZMDRU-NWDGAFQWSA-N 1 1 261.394 2.959 10 0 CFAEMO Cc1nn(C)c(C)c1[C@@H](C)NCCC[N@H+]1CCCC[C@@H]1C ZINC000045167341 175319467 /nfs/dbraw/zinc/31/94/67/175319467.db2.gz GTTQPFQTSJUROT-UONOGXRCSA-N 1 1 292.471 2.952 10 0 CFAEMO CCn1nc(C)c([C@@H](C)[NH2+]Cc2cccnc2OC)c1C ZINC000045171410 175321093 /nfs/dbraw/zinc/32/10/93/175321093.db2.gz JLDITSZHQXOMBU-LLVKDONJSA-N 1 1 288.395 2.774 10 0 CFAEMO Cc1nn(C)c(C)c1[C@H](C)NCC[NH+]1CCCCCC1 ZINC000045172194 175321772 /nfs/dbraw/zinc/32/17/72/175321772.db2.gz CHOKODHXPWAXCO-ZDUSSCGKSA-N 1 1 278.444 2.564 10 0 CFAEMO CCn1nc(C)c([C@H](C)[NH2+][C@@H](C)CCN(C)C)c1C ZINC000045172562 175321804 /nfs/dbraw/zinc/32/18/04/175321804.db2.gz BVVFLBJRMATFSP-RYUDHWBXSA-N 1 1 266.433 2.511 10 0 CFAEMO Cc1nn(C)c(C)c1[C@@H](C)NCC[NH+]1CCCCCC1 ZINC000045172192 175321808 /nfs/dbraw/zinc/32/18/08/175321808.db2.gz CHOKODHXPWAXCO-CYBMUJFWSA-N 1 1 278.444 2.564 10 0 CFAEMO CCn1nc(C)c([C@H](C)N2[C@@H]3CC[C@H]2CC([NH3+])C3)c1C ZINC000045173283 175322567 /nfs/dbraw/zinc/32/25/67/175322567.db2.gz AWFNPMDXLVMZNE-AVOUXACISA-N 1 1 276.428 2.535 10 0 CFAEMO CCN[C@@](C)(CC[N@H+]1CCCC[C@@H]1CC)C(=O)OCC ZINC000045265974 175338983 /nfs/dbraw/zinc/33/89/83/175338983.db2.gz WRTWAUGRTWIEJI-HOCLYGCPSA-N 1 1 284.444 2.572 10 0 CFAEMO CCCN[C@@](C)(CC[N@@H+](CCC)C1CC1)C(=O)OCC ZINC000045268010 175340257 /nfs/dbraw/zinc/34/02/57/175340257.db2.gz XFFRBQDWGVSBRE-INIZCTEOSA-N 1 1 284.444 2.572 10 0 CFAEMO CCOC(=O)[C@@](C)(CC[N@@H+](CC)C1CCCC1)NC(C)C ZINC000045269327 175341329 /nfs/dbraw/zinc/34/13/29/175341329.db2.gz PDOFVHUWOGWJBC-QGZVFWFLSA-N 1 1 298.471 2.961 10 0 CFAEMO CCCN[C@](C)(CC[N@@H+](C)[C@@H](C)C(C)C)C(=O)OCC ZINC000045269955 175341816 /nfs/dbraw/zinc/34/18/16/175341816.db2.gz HHRGVSITAQBJOV-GOEBONIOSA-N 1 1 286.460 2.674 10 0 CFAEMO CCOC(=O)[C@](C)(CC[N@H+]1CCC[C@@H](CC)C1)NC1CC1 ZINC000045270581 175342288 /nfs/dbraw/zinc/34/22/88/175342288.db2.gz BTGLDCVSCLCEBH-PBHICJAKSA-N 1 1 296.455 2.572 10 0 CFAEMO CCC[NH2+][C@@](C)(CC[N@@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000045271958 175342579 /nfs/dbraw/zinc/34/25/79/175342579.db2.gz IRWHUBZASPGHRT-INIZCTEOSA-N 1 1 284.444 2.874 10 0 CFAEMO CCCN[C@](C)(C[N@@H+](C)C1CCCCCC1)C(=O)OC ZINC000045271917 175342633 /nfs/dbraw/zinc/34/26/33/175342633.db2.gz ZMEAKBDPRRPVMK-MRXNPFEDSA-N 1 1 284.444 2.572 10 0 CFAEMO CC(C)[NH2+][C@@](C)(CC[N@@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000045271962 175342725 /nfs/dbraw/zinc/34/27/25/175342725.db2.gz GWUAVWDJDAHTKT-INIZCTEOSA-N 1 1 284.444 2.872 10 0 CFAEMO CCOC(=O)[C@](C)(CC[N@H+]1CCC[C@@H](CC)C1)NC(C)C ZINC000045270568 175342812 /nfs/dbraw/zinc/34/28/12/175342812.db2.gz ADUMIEOPVIOJRF-WBVHZDCISA-N 1 1 298.471 2.818 10 0 CFAEMO CCCN[C@](C)(CC[N@@H+](CCC)CC1CC1)C(=O)OCC ZINC000045276930 175346632 /nfs/dbraw/zinc/34/66/32/175346632.db2.gz UMEPYPDQHUNPAG-QGZVFWFLSA-N 1 1 298.471 2.820 10 0 CFAEMO CCCCC[N@@H+](C[C@@](C)(NC(C)C)C(=O)OC)C(C)C ZINC000045278581 175348542 /nfs/dbraw/zinc/34/85/42/175348542.db2.gz GMJSJCODGVHFDY-MRXNPFEDSA-N 1 1 286.460 2.817 10 0 CFAEMO CCOC(=O)[C@](C)(C[N@@H+](C)[C@@H](C)CC(C)C)NC(C)C ZINC000045279972 175350215 /nfs/dbraw/zinc/35/02/15/175350215.db2.gz WLRQHFNQXSEWKS-HOCLYGCPSA-N 1 1 286.460 2.673 10 0 CFAEMO CCN[C@](C)(CC[N@@H+](CC(C)C)C(C)C)C(=O)OCC ZINC000045280767 175351211 /nfs/dbraw/zinc/35/12/11/175351211.db2.gz FQDIXUFYMOUOJJ-MRXNPFEDSA-N 1 1 286.460 2.674 10 0 CFAEMO CCCN[C@@](C)(CC[N@@H+](C)CCC(C)C)C(=O)OCC ZINC000045281300 175351652 /nfs/dbraw/zinc/35/16/52/175351652.db2.gz MRFJCPVSSXYIOF-INIZCTEOSA-N 1 1 286.460 2.676 10 0 CFAEMO CCOC(=O)[C@@](C)(C[N@@H+](C)CC1CCCCC1)NC1CC1 ZINC000045281597 175352660 /nfs/dbraw/zinc/35/26/60/175352660.db2.gz SMURSZVVEHIITC-QGZVFWFLSA-N 1 1 296.455 2.572 10 0 CFAEMO CCCC[N@@H+](C[C@@](C)(NC1CC1)C(=O)OCC)[C@@H](C)CC ZINC000045282586 175353110 /nfs/dbraw/zinc/35/31/10/175353110.db2.gz MVRMHPPSKHZBSK-WMLDXEAASA-N 1 1 298.471 2.961 10 0 CFAEMO CCCC[N@@H+](C)CCC[C@](C)(NCCC)C(=O)OCC ZINC000045368387 175363491 /nfs/dbraw/zinc/36/34/91/175363491.db2.gz WZDQFYNCYHSDMJ-INIZCTEOSA-N 1 1 286.460 2.820 10 0 CFAEMO CCCC[N@@H+](C)CCC[C@](C)(NC1CC1)C(=O)OCC ZINC000045368424 175363550 /nfs/dbraw/zinc/36/35/50/175363550.db2.gz YFULKZUAULWRGT-INIZCTEOSA-N 1 1 284.444 2.572 10 0 CFAEMO CCCC[N@@H+](CC)CCC[C@@](C)([NH2+]CCC)C(=O)[O-] ZINC000045370602 175364169 /nfs/dbraw/zinc/36/41/69/175364169.db2.gz XCPGTXSNOKGYQU-OAHLLOKOSA-N 1 1 272.433 2.732 10 0 CFAEMO CC(C)[NH2+][C@@](C)(CCCC[N@H+]1CCCC[C@@H]1C)C(=O)[O-] ZINC000045376055 175366211 /nfs/dbraw/zinc/36/62/11/175366211.db2.gz WMNDKLWDGATGGB-HOCLYGCPSA-N 1 1 284.444 2.872 10 0 CFAEMO CCOC(=O)[C@](C)(CCCC[N@@H+]1[C@H](C)CCC[C@@H]1C)NC ZINC000045379594 175367982 /nfs/dbraw/zinc/36/79/82/175367982.db2.gz OSPLNBRELLXDCR-UXLLHSPISA-N 1 1 298.471 2.961 10 0 CFAEMO COC(=O)[C@@](C)(CCC[N@@H+](C)C1CCCCC1)NC1CC1 ZINC000045379171 175368736 /nfs/dbraw/zinc/36/87/36/175368736.db2.gz MTDGXHPVASJSKJ-QGZVFWFLSA-N 1 1 296.455 2.715 10 0 CFAEMO CCOC(=O)[C@](C)(CCCN(CC)c1ccccc1)[NH2+]C ZINC000045379932 175369229 /nfs/dbraw/zinc/36/92/29/175369229.db2.gz XVERCZWJOIXFKJ-KRWDZBQOSA-N 1 1 292.423 2.834 10 0 CFAEMO COC(=O)[C@](C)(CCC[N@@H+]1[C@H](C)CCC[C@@H]1C)NC(C)C ZINC000045379750 175369242 /nfs/dbraw/zinc/36/92/42/175369242.db2.gz GILRYWJPMIUPQN-UXLLHSPISA-N 1 1 298.471 2.959 10 0 CFAEMO CC(C)C[N@@H+](C)CCCC[C@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045380813 175369948 /nfs/dbraw/zinc/36/99/48/175369948.db2.gz GIZKOKMXZPVRFR-HNNXBMFYSA-N 1 1 272.433 2.586 10 0 CFAEMO CCCN[C@@](C)(CCCC[N@@H+](C)[C@@H](C)CC)C(=O)OC ZINC000045381298 175370089 /nfs/dbraw/zinc/37/00/89/175370089.db2.gz NLCZAXILAKGSEU-HOCLYGCPSA-N 1 1 286.460 2.818 10 0 CFAEMO CCOC(=O)[C@](C)(CCCC[N@@H+](C)C1CC1)NC(C)C ZINC000045383236 175371022 /nfs/dbraw/zinc/37/10/22/175371022.db2.gz JLZVXWQMEJKTBX-INIZCTEOSA-N 1 1 284.444 2.571 10 0 CFAEMO CCC[NH2+][C@@](C)(CCC[N@H+]1CCCC[C@@H]1CC)C(=O)[O-] ZINC000045384206 175371561 /nfs/dbraw/zinc/37/15/61/175371561.db2.gz RNYPDRGGXANUFX-HOCLYGCPSA-N 1 1 284.444 2.874 10 0 CFAEMO CCC[N@@H+](CCCC[C@@](C)(NC1CC1)C(=O)OC)C(C)C ZINC000045385913 175371702 /nfs/dbraw/zinc/37/17/02/175371702.db2.gz JOXNTXYCFUZGGZ-QGZVFWFLSA-N 1 1 298.471 2.961 10 0 CFAEMO CCC[NH2+][C@@](C)(CCCC[N@@H+](CCC)C1CC1)C(=O)[O-] ZINC000045387369 175372988 /nfs/dbraw/zinc/37/29/88/175372988.db2.gz ZFOCWNPPWBVAJV-INIZCTEOSA-N 1 1 284.444 2.874 10 0 CFAEMO CCC[NH2+][C@@](C)(CCCC[N@@H+](CC)CCC)C(=O)[O-] ZINC000045386835 175373060 /nfs/dbraw/zinc/37/30/60/175373060.db2.gz BDOAMYDSALKPTD-HNNXBMFYSA-N 1 1 272.433 2.732 10 0 CFAEMO CCC[N@@H+](CC)CCCC[C@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045386842 175373199 /nfs/dbraw/zinc/37/31/99/175373199.db2.gz XYWRFDPVOKCMPO-HNNXBMFYSA-N 1 1 272.433 2.730 10 0 CFAEMO CCCCC[N@@H+](C)CCC[C@](C)(NCCC)C(=O)OC ZINC000045388160 175373894 /nfs/dbraw/zinc/37/38/94/175373894.db2.gz JRZIRAHWEGGAJE-INIZCTEOSA-N 1 1 286.460 2.820 10 0 CFAEMO CCC[N@@H+](CCC[C@@](C)(NC(C)C)C(=O)OCC)C1CC1 ZINC000045387652 175374241 /nfs/dbraw/zinc/37/42/41/175374241.db2.gz ICOAAKFINGELBY-QGZVFWFLSA-N 1 1 298.471 2.961 10 0 CFAEMO CC[N@@H+](CCC[C@](C)(NC1CC1)C(=O)OC)C1CCCC1 ZINC000045390667 175374777 /nfs/dbraw/zinc/37/47/77/175374777.db2.gz UKLXWLKSAPVHPR-KRWDZBQOSA-N 1 1 296.455 2.715 10 0 CFAEMO CCC[NH2+][C@](C)(CCC[N@@H+](C)C(CC)CC)C(=O)[O-] ZINC000045391531 175374906 /nfs/dbraw/zinc/37/49/06/175374906.db2.gz STKOAWFEAHDRDM-OAHLLOKOSA-N 1 1 272.433 2.730 10 0 CFAEMO CCC[NH2+][C@](C)(CCC[N@@H+](CC)C1CCCC1)C(=O)[O-] ZINC000045390551 175374951 /nfs/dbraw/zinc/37/49/51/175374951.db2.gz RHICZLVGHLJYGA-MRXNPFEDSA-N 1 1 284.444 2.874 10 0 CFAEMO C[NH2+][C@@](C)(CCCC[N@@H+](C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000045420971 175379475 /nfs/dbraw/zinc/37/94/75/175379475.db2.gz IQXRPJGBEQWKAK-WFASDCNBSA-N 1 1 272.433 2.586 10 0 CFAEMO CC[C@H]([NH3+])c1nnc(-c2ccc3ccccc3n2)o1 ZINC000061496892 175649341 /nfs/dbraw/zinc/64/93/41/175649341.db2.gz 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C[C@@H]1CCC[N@H+](C2(CN)Cc3ccccc3C2)[C@@H]1C ZINC000050563774 524217833 /nfs/dbraw/zinc/21/78/33/524217833.db2.gz KFFVDIUYDFEBCC-ZIAGYGMSSA-N 1 1 258.409 2.603 10 0 CFAEMO C[C@@H]1CCC[N@H+]([C@@H](CN)c2ccc(F)cc2)[C@@H]1C ZINC000050563512 524244697 /nfs/dbraw/zinc/24/46/97/524244697.db2.gz MXDIYXHEGUPQDR-JMSVASOKSA-N 1 1 250.361 2.946 10 0 CFAEMO C[C@@H]1CCC[N@@H+]([C@@H](CN)c2ccc(F)cc2)[C@@H]1C ZINC000050563512 524244707 /nfs/dbraw/zinc/24/47/07/524244707.db2.gz MXDIYXHEGUPQDR-JMSVASOKSA-N 1 1 250.361 2.946 10 0 CFAEMO Cc1ccc(CCC(=O)N2CC[N@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000195324158 524288571 /nfs/dbraw/zinc/28/85/71/524288571.db2.gz INSBRKUSDIOYIZ-QGZVFWFLSA-N 1 1 286.419 2.543 10 0 CFAEMO C[C@H](C[NH+]1CCCC1)N[C@@H](C)c1ccc2c(c1)CCO2 ZINC000049151246 524318966 /nfs/dbraw/zinc/31/89/66/524318966.db2.gz OTPUIUOHTFMTIT-KGLIPLIRSA-N 1 1 274.408 2.756 10 0 CFAEMO C[C@H](CN1CCCC1)[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000049149638 524319608 /nfs/dbraw/zinc/31/96/08/524319608.db2.gz RLGCPFPAHVNQEJ-KGLIPLIRSA-N 1 1 286.423 2.708 10 0 CFAEMO COc1ccccc1C1CC([NH2+][C@H](C)CCN(C)C)C1 ZINC000049553951 524375676 /nfs/dbraw/zinc/37/56/76/524375676.db2.gz IJJKYRJHOAFLOY-WLYUNCDWSA-N 1 1 276.424 2.871 10 0 CFAEMO COc1ccccc1C[N@@H+](C)CCCCC(N)=S ZINC000049582760 524434977 /nfs/dbraw/zinc/43/49/77/524434977.db2.gz SMNMEDAJGSWCRS-UHFFFAOYSA-N 1 1 266.410 2.583 10 0 CFAEMO C[C@@H](CC[NH2+]C(C)(C)C)N(C)CCc1ccccn1 ZINC000052424015 524496164 /nfs/dbraw/zinc/49/61/64/524496164.db2.gz FEVHSRZNBVMGMC-AWEZNQCLSA-N 1 1 263.429 2.723 10 0 CFAEMO C[C@@H](CN1CCCC1)[NH2+]Cc1ccc2ccccc2n1 ZINC000049180436 524593639 /nfs/dbraw/zinc/59/36/39/524593639.db2.gz VJXSTRYQJYGFIB-AWEZNQCLSA-N 1 1 269.392 2.809 10 0 CFAEMO C[C@H]1CN(Cc2c(C[NH3+])oc3ccccc32)C[C@H](C)O1 ZINC000052380407 524606526 /nfs/dbraw/zinc/60/65/26/524606526.db2.gz MFCYFAQQGJZJRV-RYUDHWBXSA-N 1 1 274.364 2.501 10 0 CFAEMO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)CN1CCCC1 ZINC000049149430 524727166 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OCC1(Nc2cc[nH+]cc2Br)CCCC1 ZINC000159840707 348015314 /nfs/dbraw/zinc/01/53/14/348015314.db2.gz VVQVGBMKTSXXAO-UHFFFAOYSA-N 1 1 271.158 2.561 10 0 CFAEMO Cc1cc([C@H]([NH3+])c2ccc(Br)o2)co1 ZINC000161457647 348024357 /nfs/dbraw/zinc/02/43/57/348024357.db2.gz KRNYBHVJFOJCGK-JTQLQIEISA-N 1 1 256.099 2.992 10 0 CFAEMO Fc1cc([C@H]2[NH2+]CCS2)ccc1Br ZINC000161837443 348027098 /nfs/dbraw/zinc/02/70/98/348027098.db2.gz QAOFJXZBBHIOAM-VIFPVBQESA-N 1 1 262.147 2.923 10 0 CFAEMO Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CCCN(C)CC1 ZINC000086818706 179347256 /nfs/dbraw/zinc/34/72/56/179347256.db2.gz IEFIPSHAECDESE-DOTOQJQBSA-N 1 1 260.425 3.000 10 0 CFAEMO CCNC(=O)c1ccc(N[C@@H]2CCC[N@@H+](C)CC2)c(C)c1 ZINC000086818737 179347649 /nfs/dbraw/zinc/34/76/49/179347649.db2.gz UNWSROFLCNCKAT-OAHLLOKOSA-N 1 1 289.423 2.641 10 0 CFAEMO COc1ccc([C@H](C)[NH2+][C@H]2CCCN(C)CC2)cc1OC ZINC000086818845 179348685 /nfs/dbraw/zinc/34/86/85/179348685.db2.gz ISCGWZFNQUXEEV-ZFWWWQNUSA-N 1 1 292.423 2.839 10 0 CFAEMO COc1ccc([C@H](C)N[C@H]2CCC[N@H+](C)CC2)cc1OC ZINC000086818845 179348686 /nfs/dbraw/zinc/34/86/86/179348686.db2.gz ISCGWZFNQUXEEV-ZFWWWQNUSA-N 1 1 292.423 2.839 10 0 CFAEMO COc1ccc([C@H](C)N[C@H]2CCC[N@@H+](C)CC2)cc1OC ZINC000086818845 179348687 /nfs/dbraw/zinc/34/86/87/179348687.db2.gz ISCGWZFNQUXEEV-ZFWWWQNUSA-N 1 1 292.423 2.839 10 0 CFAEMO COC(=O)[C@@H]1CCC[N@@H+](CCOc2c(C)cccc2C)C1 ZINC000171236372 348072716 /nfs/dbraw/zinc/07/27/16/348072716.db2.gz PMBFPGFMRSBRJX-OAHLLOKOSA-N 1 1 291.391 2.567 10 0 CFAEMO CC[N@H+]1CCC[C@H](NC(=O)Nc2cccc3[nH]ccc32)C1 ZINC000171391938 348075844 /nfs/dbraw/zinc/07/58/44/348075844.db2.gz JZRUOPFCPYEDLM-LBPRGKRZSA-N 1 1 286.379 2.774 10 0 CFAEMO [NH3+][C@H](c1ccc(Br)o1)C1=CCCCO1 ZINC000167803953 348047053 /nfs/dbraw/zinc/04/70/53/348047053.db2.gz IXCNXJUWYCGJHW-JTQLQIEISA-N 1 1 258.115 2.736 10 0 CFAEMO C[C@H](CCc1ccco1)[NH2+][C@H]1CCCN(C)CC1 ZINC000086817362 179344298 /nfs/dbraw/zinc/34/42/98/179344298.db2.gz WQEDXFIHSPHZHO-KGLIPLIRSA-N 1 1 250.386 2.675 10 0 CFAEMO CC(=O)Nc1cccc([C@H](C)N[C@@H]2CCC[N@H+](C)CC2)c1 ZINC000086817405 179344706 /nfs/dbraw/zinc/34/47/06/179344706.db2.gz MWLCTOBQSLGYKP-XJKSGUPXSA-N 1 1 289.423 2.780 10 0 CFAEMO CC(=O)Nc1cccc([C@H](C)N[C@@H]2CCC[N@@H+](C)CC2)c1 ZINC000086817405 179344708 /nfs/dbraw/zinc/34/47/08/179344708.db2.gz MWLCTOBQSLGYKP-XJKSGUPXSA-N 1 1 289.423 2.780 10 0 CFAEMO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CCCN(C)CC2)c1 ZINC000086817405 179344709 /nfs/dbraw/zinc/34/47/09/179344709.db2.gz MWLCTOBQSLGYKP-XJKSGUPXSA-N 1 1 289.423 2.780 10 0 CFAEMO CC(=O)Nc1ccc(N[C@H]2CCC[N@H+](C)CC2)cc1C ZINC000086817532 179344976 /nfs/dbraw/zinc/34/49/76/179344976.db2.gz ZFGCVFJLKZPOES-AWEZNQCLSA-N 1 1 275.396 2.850 10 0 CFAEMO C[C@@H](CCc1ccco1)[NH2+][C@H]1CCCN(C)CC1 ZINC000086817361 179345187 /nfs/dbraw/zinc/34/51/87/179345187.db2.gz WQEDXFIHSPHZHO-KBPBESRZSA-N 1 1 250.386 2.675 10 0 CFAEMO COc1ccc(N[C@@H]2CCC[N@@H+](C)CC2)cc1F ZINC000086817502 179345254 /nfs/dbraw/zinc/34/52/54/179345254.db2.gz QUXMYLSNLUDRND-LLVKDONJSA-N 1 1 252.333 2.731 10 0 CFAEMO COc1ccc([C@H](C)N[C@H]2CCC[N@@H+](C)CC2)c(OC)c1 ZINC000086817573 179345806 /nfs/dbraw/zinc/34/58/06/179345806.db2.gz DXGVOERDBDRIPF-KBPBESRZSA-N 1 1 292.423 2.839 10 0 CFAEMO Cc1cc(N(C)C)ccc1N[C@H]1CCC[N@@H+](C)CC1 ZINC000086817614 179345924 /nfs/dbraw/zinc/34/59/24/179345924.db2.gz NHNBEZGDFQBNAA-AWEZNQCLSA-N 1 1 261.413 2.957 10 0 CFAEMO CCOc1cc(N[C@@H]2CCC[N@@H+](C)CC2)ccc1OC ZINC000086818261 179346550 /nfs/dbraw/zinc/34/65/50/179346550.db2.gz VNOKWGPIEYBCJZ-CYBMUJFWSA-N 1 1 278.396 2.990 10 0 CFAEMO Cc1nn(C(C)C)c(C)c1N[C@@H]1CCC[N@@H+](C)CC1 ZINC000086818793 179346772 /nfs/dbraw/zinc/34/67/72/179346772.db2.gz KOHBSBFWDDPQBG-CQSZACIVSA-N 1 1 264.417 2.977 10 0 CFAEMO Cc1ccccc1C[C@@H](C)[NH2+][C@H]1CCCN(C)CC1 ZINC000086818707 179346967 /nfs/dbraw/zinc/34/69/67/179346967.db2.gz IEFIPSHAECDESE-WBVHZDCISA-N 1 1 260.425 3.000 10 0 CFAEMO COC(=O)Nc1cccc(N[C@H]2CCC[N@@H+](C)CC2)c1 ZINC000086818699 179347060 /nfs/dbraw/zinc/34/70/60/179347060.db2.gz CYGOQZXEUIMAIG-LBPRGKRZSA-N 1 1 277.368 2.761 10 0 CFAEMO CC[N@H+]1CCC[C@@H](NCc2ccc(F)cc2F)CC1 ZINC000086843971 179354642 /nfs/dbraw/zinc/35/46/42/179354642.db2.gz WATXNMLHNIHDFD-CQSZACIVSA-N 1 1 268.351 2.929 10 0 CFAEMO CC[N@H+]1CCC[C@@](O)(c2ccc(F)cc2C)CC1 ZINC000086852156 179359496 /nfs/dbraw/zinc/35/94/96/179359496.db2.gz JPCNSFJOGVONHX-HNNXBMFYSA-N 1 1 251.345 2.828 10 0 CFAEMO CC[N@H+]1CCC[C@](O)(c2ccc3c(c2)OCCCO3)CC1 ZINC000086851840 179359875 /nfs/dbraw/zinc/35/98/75/179359875.db2.gz PYYULFQRNIXGMS-QGZVFWFLSA-N 1 1 291.391 2.541 10 0 CFAEMO CCC[N@H+]1CCC[C@@](CC(=O)[O-])([NH+]2CCCCC2)CC1 ZINC000086868511 179360080 /nfs/dbraw/zinc/36/00/80/179360080.db2.gz KEUGXBMYBOKUNN-MRXNPFEDSA-N 1 1 282.428 2.582 10 0 CFAEMO CCC[N@H+]1CCC[C@@](CO)(Nc2ccccc2OC)CC1 ZINC000086868135 179360811 /nfs/dbraw/zinc/36/08/11/179360811.db2.gz XGMODHJMXQLHGI-QGZVFWFLSA-N 1 1 292.423 2.734 10 0 CFAEMO CC[N@H+]1CCC[C@@H]([NH+](C)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000086868561 179360922 /nfs/dbraw/zinc/36/09/22/179360922.db2.gz BZLIGMDERMEWSL-MRXNPFEDSA-N 1 1 290.407 2.691 10 0 CFAEMO CC[NH+]1CCC[C@@H]([N@H+](C)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000086868561 179360923 /nfs/dbraw/zinc/36/09/23/179360923.db2.gz BZLIGMDERMEWSL-MRXNPFEDSA-N 1 1 290.407 2.691 10 0 CFAEMO CC[NH+]1CCC[C@@H]([N@@H+](C)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000086868561 179360925 /nfs/dbraw/zinc/36/09/25/179360925.db2.gz BZLIGMDERMEWSL-MRXNPFEDSA-N 1 1 290.407 2.691 10 0 CFAEMO CC[N@H+]1CCC[C@](O)(c2cnc3ccccc3c2)CC1 ZINC000086852311 179359372 /nfs/dbraw/zinc/35/93/72/179359372.db2.gz MCHAVPQLSXJCBG-QGZVFWFLSA-N 1 1 270.376 2.928 10 0 CFAEMO [NH3+]Cc1nc(C(=O)c2sccc2Cl)cs1 ZINC000229957690 348203556 /nfs/dbraw/zinc/20/35/56/348203556.db2.gz SZYLSXKVEUVZJY-UHFFFAOYSA-N 1 1 258.755 2.548 10 0 CFAEMO Brc1cc(Br)c2c[nH+]cn2c1 ZINC000237982941 348243396 /nfs/dbraw/zinc/24/33/96/348243396.db2.gz YQNLRIJQBDQKGC-UHFFFAOYSA-N 1 1 275.931 2.859 10 0 CFAEMO CCOCCN1CC[N@@H+](C[C@@H]2CCCC[C@@H]2C)C[C@H]1C ZINC000248498272 348273834 /nfs/dbraw/zinc/27/38/34/348273834.db2.gz RMYJDPIWVVKJQY-BBWFWOEESA-N 1 1 282.472 2.855 10 0 CFAEMO CN(CCC[NH2+]C[C@@H](O)C(C)(C)C)Cc1ccccc1 ZINC000309866605 348408285 /nfs/dbraw/zinc/40/82/85/348408285.db2.gz MVXJMRCFCLRHNK-MRXNPFEDSA-N 1 1 278.440 2.505 10 0 CFAEMO Fc1c(Br)cccc1[C@H]1[NH2+]CCS1 ZINC000307653986 348401428 /nfs/dbraw/zinc/40/14/28/348401428.db2.gz QGRPIPSUBOLEFO-VIFPVBQESA-N 1 1 262.147 2.923 10 0 CFAEMO Cc1cnc([C@H](C)NCC[C@@H]2CCCC[N@H+]2C)o1 ZINC000230644224 539658822 /nfs/dbraw/zinc/65/88/22/539658822.db2.gz HESBRLWDPVRLFA-STQMWFEESA-N 1 1 251.374 2.508 10 0 CFAEMO [NH2+]=C1N[C@](CF)(c2cccc(F)c2F)C=CS1 ZINC000584636072 348698259 /nfs/dbraw/zinc/69/82/59/348698259.db2.gz QYODPGTUMKKFRC-LLVKDONJSA-N 1 1 258.268 2.914 10 0 CFAEMO CCN(CC)C(=O)[C@@H](C)[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000584652106 348702354 /nfs/dbraw/zinc/70/23/54/348702354.db2.gz IHXSYTVWXMPZRD-UONOGXRCSA-N 1 1 262.397 2.936 10 0 CFAEMO CC[C@H]([NH3+])Cc1cc(F)ccc1Sc1n[nH]c(C)n1 ZINC000104439740 186002481 /nfs/dbraw/zinc/00/24/81/186002481.db2.gz ILABRKYELGDVEH-NSHDSACASA-N 1 1 280.372 2.683 10 0 CFAEMO CC[C@H]([NH3+])Cc1cc(F)ccc1Sc1nc(C)n[nH]1 ZINC000104439740 186002483 /nfs/dbraw/zinc/00/24/83/186002483.db2.gz ILABRKYELGDVEH-NSHDSACASA-N 1 1 280.372 2.683 10 0 CFAEMO O=C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCOC1CCCC1 ZINC000104446568 186005189 /nfs/dbraw/zinc/00/51/89/186005189.db2.gz TWPNGNIWLSQPMU-BETUJISGSA-N 1 1 251.370 2.532 10 0 CFAEMO O=C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCOC1CCCC1 ZINC000104446568 186005191 /nfs/dbraw/zinc/00/51/91/186005191.db2.gz TWPNGNIWLSQPMU-BETUJISGSA-N 1 1 251.370 2.532 10 0 CFAEMO CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1cc(OC)ns1 ZINC000399127681 539768096 /nfs/dbraw/zinc/76/80/96/539768096.db2.gz NIBIKTUPLPNWPC-CHWSQXEVSA-N 1 1 295.452 2.600 10 0 CFAEMO C[N@@H+](Cc1nc(Cl)ccc1Cl)CC1CC(O)C1 ZINC000091463926 180162552 /nfs/dbraw/zinc/16/25/52/180162552.db2.gz PQKQRXMKKPNDPQ-UHFFFAOYSA-N 1 1 275.179 2.591 10 0 CFAEMO C[N@H+](Cc1nc(Cl)ccc1Cl)CC1CC(O)C1 ZINC000091463926 180162553 /nfs/dbraw/zinc/16/25/53/180162553.db2.gz PQKQRXMKKPNDPQ-UHFFFAOYSA-N 1 1 275.179 2.591 10 0 CFAEMO COc1ccc([C@@H](C)Nc2nc(N)[nH+]cc2C)cc1 ZINC000091625938 180209368 /nfs/dbraw/zinc/20/93/68/180209368.db2.gz NFIXBYAMSHNIAE-SNVBAGLBSA-N 1 1 258.325 2.549 10 0 CFAEMO CCc1oc2ccccc2c1C[N@H+]1CCC[C@H]1C(=O)NC ZINC000092098104 180324702 /nfs/dbraw/zinc/32/47/02/180324702.db2.gz LQPJXKIDGAYJHC-AWEZNQCLSA-N 1 1 286.375 2.706 10 0 CFAEMO COc1c(C[N@@H+](C)CCc2ccc(F)cc2)c(C)nn1C ZINC000092162053 180335723 /nfs/dbraw/zinc/33/57/23/180335723.db2.gz VJMZCUIIUGJLCV-UHFFFAOYSA-N 1 1 291.370 2.551 10 0 CFAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000105851385 186078573 /nfs/dbraw/zinc/07/85/73/186078573.db2.gz UZGLGFAWFMWJHO-GFCCVEGCSA-N 1 1 289.404 2.984 10 0 CFAEMO CCOc1ccc(C[N@H+]2CCC[C@@H](n3cncn3)C2)cc1 ZINC000105923079 186090821 /nfs/dbraw/zinc/09/08/21/186090821.db2.gz NELCFFCAEPORMZ-OAHLLOKOSA-N 1 1 286.379 2.514 10 0 CFAEMO C[NH+](C)[C@H](Cc1ccccc1)C(=O)Nc1ccccc1O ZINC000106455552 186119237 /nfs/dbraw/zinc/11/92/37/186119237.db2.gz CLYBUEBFZCFXBY-OAHLLOKOSA-N 1 1 284.359 2.504 10 0 CFAEMO CCC[C@H](C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C)C(C)C ZINC000122002100 187010101 /nfs/dbraw/zinc/01/01/01/187010101.db2.gz UVLNJRMUEKGCDJ-ZNMIVQPWSA-N 1 1 266.429 2.754 10 0 CFAEMO c1cnn(C[C@@H]2C[N@@H+](CC3CCCCCC3)CCO2)c1 ZINC000122158462 187018222 /nfs/dbraw/zinc/01/82/22/187018222.db2.gz BNPYNVFUMSUCDY-INIZCTEOSA-N 1 1 277.412 2.554 10 0 CFAEMO CCCCSCCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000122660972 187044523 /nfs/dbraw/zinc/04/45/23/187044523.db2.gz ZNFCHNIHWJXBAM-KBPBESRZSA-N 1 1 284.469 2.605 10 0 CFAEMO CC[C@@](C)(O)C[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000123253449 187080870 /nfs/dbraw/zinc/08/08/70/187080870.db2.gz VWQAIVJBCICQBC-MRXNPFEDSA-N 1 1 261.365 2.642 10 0 CFAEMO FC(F)(F)O[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000616652186 352399420 /nfs/dbraw/zinc/39/94/20/352399420.db2.gz JGYXKRYXBPPUKM-GFCCVEGCSA-N 1 1 275.270 2.771 10 0 CFAEMO FC(F)(F)O[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000616652186 352399421 /nfs/dbraw/zinc/39/94/21/352399421.db2.gz JGYXKRYXBPPUKM-GFCCVEGCSA-N 1 1 275.270 2.771 10 0 CFAEMO CCc1[nH+]ccn1CCCOc1cc(C=O)ccc1OC ZINC000616578071 352373781 /nfs/dbraw/zinc/37/37/81/352373781.db2.gz JJXDOHKJYGWXAX-UHFFFAOYSA-N 1 1 288.347 2.736 10 0 CFAEMO CC(=O)Nc1ccc([C@@H]2COCCC[N@@H+]2C(C)C)cc1 ZINC000616596589 352378520 /nfs/dbraw/zinc/37/85/20/352378520.db2.gz CLTWMISHZVCMDA-INIZCTEOSA-N 1 1 276.380 2.817 10 0 CFAEMO Nc1ncccc1[C@@H]1CCOCC[N@H+]1Cc1ccccc1 ZINC000616597318 352378724 /nfs/dbraw/zinc/37/87/24/352378724.db2.gz CTZRHWCOQYOVTA-INIZCTEOSA-N 1 1 283.375 2.627 10 0 CFAEMO CC(C)[N@H+]1CCN[C@@H](c2nccc3ccccc32)C1 ZINC000616600149 352379445 /nfs/dbraw/zinc/37/94/45/352379445.db2.gz DVLABISEYZVJOZ-OAHLLOKOSA-N 1 1 255.365 2.590 10 0 CFAEMO CC(C)N1CC[NH2+][C@@H](c2nccc3ccccc32)C1 ZINC000616600149 352379449 /nfs/dbraw/zinc/37/94/49/352379449.db2.gz DVLABISEYZVJOZ-OAHLLOKOSA-N 1 1 255.365 2.590 10 0 CFAEMO CC(C)[N@H+]1CCCOC[C@@H]1c1ccc2ccnnc2c1 ZINC000616599598 352379844 /nfs/dbraw/zinc/37/98/44/352379844.db2.gz LYXTXYXAYDCIFR-MRXNPFEDSA-N 1 1 271.364 2.802 10 0 CFAEMO CCOC(=O)c1cccc([C@H]2C[N@@H+](CC)CCCO2)c1 ZINC000616653400 352400303 /nfs/dbraw/zinc/40/03/03/352400303.db2.gz NWOQQYKQHJBKDX-OAHLLOKOSA-N 1 1 277.364 2.647 10 0 CFAEMO CC[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000616600735 352380292 /nfs/dbraw/zinc/38/02/92/352380292.db2.gz FXGQOLMGOKEZJU-LBPRGKRZSA-N 1 1 256.390 2.633 10 0 CFAEMO CC(C)(C)[N@H+]1CCN[C@H](c2cccc3ncccc32)C1 ZINC000616601523 352380573 /nfs/dbraw/zinc/38/05/73/352380573.db2.gz HQTVWNMIORORNO-INIZCTEOSA-N 1 1 269.392 2.980 10 0 CFAEMO CC(C)(C)N1CC[NH2+][C@H](c2cccc3ncccc32)C1 ZINC000616601523 352380576 /nfs/dbraw/zinc/38/05/76/352380576.db2.gz HQTVWNMIORORNO-INIZCTEOSA-N 1 1 269.392 2.980 10 0 CFAEMO CC(C)[N@@H+]1CCNC[C@H]1c1nccc2ccccc21 ZINC000616605157 352382027 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171391679 /nfs/dbraw/zinc/39/16/79/171391679.db2.gz BJBHMKMTXBYFOR-IOASZLSFSA-N 1 1 262.397 2.815 10 0 CFAEMO N[C@H](C[NH+]1CCCCCC1)c1ccc(F)c(F)c1 ZINC000022567010 171392370 /nfs/dbraw/zinc/39/23/70/171392370.db2.gz ZXXFQFKIXGMMOF-CQSZACIVSA-N 1 1 254.324 2.841 10 0 CFAEMO O=C1NCCCC[C@@H]1[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000035224358 172068499 /nfs/dbraw/zinc/06/84/99/172068499.db2.gz MQECCPGYQDIJTJ-GOEBONIOSA-N 1 1 284.359 2.627 10 0 CFAEMO C[C@@H]([C@H](N)c1ccc(F)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000036874812 172770735 /nfs/dbraw/zinc/77/07/35/172770735.db2.gz LLEADZNFMNSGGJ-XUJVJEKNSA-N 1 1 250.361 2.946 10 0 CFAEMO C[C@@H]([C@H]([NH3+])c1ccc(F)cc1)N1CCC[C@@H](C)C1 ZINC000036874812 172770737 /nfs/dbraw/zinc/77/07/37/172770737.db2.gz LLEADZNFMNSGGJ-XUJVJEKNSA-N 1 1 250.361 2.946 10 0 CFAEMO C[C@H](CO)[C@H]1CCCC[N@H+]1C[C@H]1Cc2ccccc21 ZINC000661445154 413990707 /nfs/dbraw/zinc/99/07/07/413990707.db2.gz ZOMFXXDABJSHAL-FRFSOERESA-N 1 1 259.393 2.809 10 0 CFAEMO CC[C@@H](C)C[N@@H+](C)Cc1cc(C(N)=S)ccc1F ZINC000037173236 173007684 /nfs/dbraw/zinc/00/76/84/173007684.db2.gz JDWAHOQTHFSICP-SNVBAGLBSA-N 1 1 268.401 2.938 10 0 CFAEMO CO[C@@H]1CCCC[C@H]1NCC[NH+](C(C)C)C(C)C ZINC000037188745 173018811 /nfs/dbraw/zinc/01/88/11/173018811.db2.gz MDAQKSKSKCVZNR-HUUCEWRRSA-N 1 1 256.434 2.652 10 0 CFAEMO CC[N@H+](C)[C@H](CN)c1c(OC)ccc2ccccc21 ZINC000037290095 173095507 /nfs/dbraw/zinc/09/55/07/173095507.db2.gz BNUGDZIFEXPNQU-CQSZACIVSA-N 1 1 258.365 2.800 10 0 CFAEMO CC[N@@H+](C)[C@H](CN)c1c(OC)ccc2ccccc21 ZINC000037290095 173095513 /nfs/dbraw/zinc/09/55/13/173095513.db2.gz BNUGDZIFEXPNQU-CQSZACIVSA-N 1 1 258.365 2.800 10 0 CFAEMO CC[C@@H](C)[C@@H]([NH3+])c1nc(Cc2ccc(F)cc2)no1 ZINC000037330927 173132610 /nfs/dbraw/zinc/13/26/10/173132610.db2.gz ZAGMVMNCWXPHHM-NOZJJQNGSA-N 1 1 263.316 2.845 10 0 CFAEMO CC(C)[NH+]1CCN(CC(=O)c2ccc(Cl)s2)CC1 ZINC000037339703 173139877 /nfs/dbraw/zinc/13/98/77/173139877.db2.gz LYVVLMOCTKEJCA-UHFFFAOYSA-N 1 1 286.828 2.610 10 0 CFAEMO CC(C)[NH+]1CCN(CC(=O)c2ccccc2Cl)CC1 ZINC000037339723 173140672 /nfs/dbraw/zinc/14/06/72/173140672.db2.gz WSALBSANXYPCRA-UHFFFAOYSA-N 1 1 280.799 2.549 10 0 CFAEMO Nc1cc(C[N@H+]2CCCC[C@@H]2CCO)ccc1Cl ZINC000037402455 173178598 /nfs/dbraw/zinc/17/85/98/173178598.db2.gz XIINKIXNMATHNR-GFCCVEGCSA-N 1 1 268.788 2.659 10 0 CFAEMO COC(=O)[C@@H](CC(C)C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000037413486 173190205 /nfs/dbraw/zinc/19/02/05/173190205.db2.gz HPTLVLXZGUPCCP-UKRRQHHQSA-N 1 1 263.381 2.967 10 0 CFAEMO CC[NH2+][C@]1(C(=O)OCC)C[C@H](C)CC[C@@H]1C(C)C ZINC000037447137 173214231 /nfs/dbraw/zinc/21/42/31/173214231.db2.gz XLQPHNDQLBZMGG-UMVBOHGHSA-N 1 1 255.402 2.990 10 0 CFAEMO CCOC(=O)C1([NH2+]C)CCC(c2ccccc2)CC1 ZINC000037458548 173223508 /nfs/dbraw/zinc/22/35/08/173223508.db2.gz KWDGMMPVOPHBNZ-UHFFFAOYSA-N 1 1 261.365 2.866 10 0 CFAEMO COC(=O)[C@]1([NH2+]C2CC2)C[C@H](C)CC[C@H]1C(C)C ZINC000037513978 173245282 /nfs/dbraw/zinc/24/52/82/173245282.db2.gz JKVCYIBZPQRZKA-ZLDLUXBVSA-N 1 1 253.386 2.742 10 0 CFAEMO C[C@@H]1C[N@H+](Cc2ccc3ccccc3n2)C[C@H](C)[C@H]1O ZINC000661632612 414099695 /nfs/dbraw/zinc/09/96/95/414099695.db2.gz UKJIZRJQRICQMV-LAQFHYBYSA-N 1 1 270.376 2.684 10 0 CFAEMO COc1ccccc1C[N@H+]1CCc2c(N)cccc2C1 ZINC000038032577 174029232 /nfs/dbraw/zinc/02/92/32/174029232.db2.gz MVMPCEIKAJXREI-UHFFFAOYSA-N 1 1 268.360 2.836 10 0 CFAEMO Nc1cccc2c1CC[N@H+](Cc1nc3ccccc3o1)C2 ZINC000038032805 174029479 /nfs/dbraw/zinc/02/94/79/174029479.db2.gz LWHQZRQZBKZWKL-UHFFFAOYSA-N 1 1 279.343 2.968 10 0 CFAEMO Nc1cccc2c1CC[N@@H+](Cc1nc3ccccc3o1)C2 ZINC000038032805 174029480 /nfs/dbraw/zinc/02/94/80/174029480.db2.gz LWHQZRQZBKZWKL-UHFFFAOYSA-N 1 1 279.343 2.968 10 0 CFAEMO [NH3+][C@H](c1nc(Cc2ccc(O)cc2)no1)C1CCCCC1 ZINC000038036955 174036494 /nfs/dbraw/zinc/03/64/94/174036494.db2.gz PDFYYQNYPGJRBR-HNNXBMFYSA-N 1 1 287.363 2.946 10 0 CFAEMO CC[N@H+]1CCC[C@H]([C@@H](C)NCc2nc(C)cs2)C1 ZINC000038090931 174104703 /nfs/dbraw/zinc/10/47/03/174104703.db2.gz OGTVYQWLHIMGCL-OLZOCXBDSA-N 1 1 267.442 2.662 10 0 CFAEMO CC[C@@H]1CN2CCCC[C@H]2C[N@H+]1C[C@@H](OC)C1CCC1 ZINC000659995072 414646057 /nfs/dbraw/zinc/64/60/57/414646057.db2.gz QOHNCJXROAQRFI-IXDOHACOSA-N 1 1 280.456 2.750 10 0 CFAEMO COc1ccccc1[C@H](CN)[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000039789063 174173148 /nfs/dbraw/zinc/17/31/48/174173148.db2.gz PXJKIGJDTOGSFR-GUTXKFCHSA-N 1 1 262.397 2.958 10 0 CFAEMO COc1ccccc1[C@H](CN)[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000039789063 174173150 /nfs/dbraw/zinc/17/31/50/174173150.db2.gz PXJKIGJDTOGSFR-GUTXKFCHSA-N 1 1 262.397 2.958 10 0 CFAEMO O[C@H](Cc1[nH]cc[nH+]1)c1ccc(Br)s1 ZINC000040261589 174217227 /nfs/dbraw/zinc/21/72/27/174217227.db2.gz APQKDCNMNZOCPI-ZCFIWIBFSA-N 1 1 273.155 2.510 10 0 CFAEMO c1csc(CNC[C@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000040397609 174253038 /nfs/dbraw/zinc/25/30/38/174253038.db2.gz HUAFREPBJRNGOP-CQSZACIVSA-N 1 1 258.390 2.552 10 0 CFAEMO C[N@H+]1CC[C@H]2[C@H](CCC[C@@H]2NC(=O)c2ccccc2)C1 ZINC000040440257 174263209 /nfs/dbraw/zinc/26/32/09/174263209.db2.gz IVYNIYYTFLHWEX-PMPSAXMXSA-N 1 1 272.392 2.537 10 0 CFAEMO CC[N@@H+]1CCC[C@H](NCc2ccccc2Cl)C1 ZINC000040501979 174298236 /nfs/dbraw/zinc/29/82/36/174298236.db2.gz TVPZXZNYJFVUIM-ZDUSSCGKSA-N 1 1 252.789 2.914 10 0 CFAEMO CC[N@H+]1CCC[C@H](NCc2ccccc2Cl)C1 ZINC000040501979 174298237 /nfs/dbraw/zinc/29/82/37/174298237.db2.gz TVPZXZNYJFVUIM-ZDUSSCGKSA-N 1 1 252.789 2.914 10 0 CFAEMO CC[N@H+]1CCC[C@H](N[C@@H](C)c2nc(C)sc2C)C1 ZINC000040502563 174299126 /nfs/dbraw/zinc/29/91/26/174299126.db2.gz QPEZATRGWRTYKN-GWCFXTLKSA-N 1 1 267.442 2.895 10 0 CFAEMO CCN1CCC[C@H]([NH2+][C@@H](C)c2nc(C)sc2C)C1 ZINC000040502563 174299127 /nfs/dbraw/zinc/29/91/27/174299127.db2.gz QPEZATRGWRTYKN-GWCFXTLKSA-N 1 1 267.442 2.895 10 0 CFAEMO CCN(c1[nH+]c(C)cc(C)c1C(N)=S)C(C)C ZINC000040510216 174304299 /nfs/dbraw/zinc/30/42/99/174304299.db2.gz DVGUHVYMJROLDN-UHFFFAOYSA-N 1 1 251.399 2.567 10 0 CFAEMO CC[NH+](CC)[C@@H](CN)c1cccc(OC(C)C)c1 ZINC000040640852 174364216 /nfs/dbraw/zinc/36/42/16/174364216.db2.gz WHXPWMFTWZIDMF-HNNXBMFYSA-N 1 1 250.386 2.815 10 0 CFAEMO Cc1n[nH]c(C)c1N[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000040671425 174369470 /nfs/dbraw/zinc/36/94/70/174369470.db2.gz DTRHNZJHPJTVSL-INIZCTEOSA-N 1 1 284.407 2.755 10 0 CFAEMO CC(C)(C)[C@@H]([NH3+])c1nc(Cc2cccc(F)c2)no1 ZINC000040677391 174374288 /nfs/dbraw/zinc/37/42/88/174374288.db2.gz IAIKNTYQJBHNJP-LBPRGKRZSA-N 1 1 263.316 2.845 10 0 CFAEMO CCOC1CC[NH+]([C@@](C)(CN)CCc2ccccc2)CC1 ZINC000040678753 174374681 /nfs/dbraw/zinc/37/46/81/174374681.db2.gz WYCHAUWFKODUDW-GOSISDBHSA-N 1 1 290.451 2.838 10 0 CFAEMO CCOC1CCN(C2(C[NH3+])CCCCCCC2)CC1 ZINC000040678767 174374889 /nfs/dbraw/zinc/37/48/89/174374889.db2.gz RLMAKZBCZDYNCX-UHFFFAOYSA-N 1 1 268.445 2.929 10 0 CFAEMO CCOC1CC[NH+]([C@@H](C)[C@H](N)c2ccc(C)cc2)CC1 ZINC000040689266 174375655 /nfs/dbraw/zinc/37/56/55/174375655.db2.gz RMPLBMUOJNANEF-YOEHRIQHSA-N 1 1 276.424 2.884 10 0 CFAEMO CCOC1CC[NH+](C[C@@H](N)c2ccc(C)c(C)c2)CC1 ZINC000040689243 174375773 /nfs/dbraw/zinc/37/57/73/174375773.db2.gz IFVKPQWMTSINNG-QGZVFWFLSA-N 1 1 276.424 2.804 10 0 CFAEMO CCOC1CC[NH+]([C@H](C)[C@H](N)c2ccccc2)CC1 ZINC000040689296 174376618 /nfs/dbraw/zinc/37/66/18/174376618.db2.gz WJZPRFMJSJSGIY-CJNGLKHVSA-N 1 1 262.397 2.576 10 0 CFAEMO CCCCNc1[nH+]cnc(N(C)CCCC)c1N ZINC000040706439 174379326 /nfs/dbraw/zinc/37/93/26/174379326.db2.gz WFTFJQQQYRDKOF-UHFFFAOYSA-N 1 1 251.378 2.507 10 0 CFAEMO CCCCNc1nc[nH+]c(N(C)CCCC)c1N ZINC000040706439 174379328 /nfs/dbraw/zinc/37/93/28/174379328.db2.gz WFTFJQQQYRDKOF-UHFFFAOYSA-N 1 1 251.378 2.507 10 0 CFAEMO Cc1nc2cc(N[C@H]3CCC[N@H+](C)C3)c(N)cc2s1 ZINC000040715785 174382713 /nfs/dbraw/zinc/38/27/13/174382713.db2.gz MEIFZIQSJNNFMA-JTQLQIEISA-N 1 1 276.409 2.693 10 0 CFAEMO C[N@H+]1CCC[C@H](Nc2ccc(N)cc2C(F)(F)F)C1 ZINC000040715812 174382797 /nfs/dbraw/zinc/38/27/97/174382797.db2.gz ZXDGDDCSLZIGAJ-JTQLQIEISA-N 1 1 273.302 2.794 10 0 CFAEMO COc1cccc([C@@H](C)[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c1 ZINC000040749108 174393707 /nfs/dbraw/zinc/39/37/07/174393707.db2.gz VFTMONQTVUMKHB-JZIBPQBNSA-N 1 1 260.381 2.710 10 0 CFAEMO COc1ccc([C@@H](C)[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040749081 174394105 /nfs/dbraw/zinc/39/41/05/174394105.db2.gz NCPFEXPSRCJTFL-JZIBPQBNSA-N 1 1 260.381 2.710 10 0 CFAEMO COc1ccc([C@H](C)[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040749080 174394149 /nfs/dbraw/zinc/39/41/49/174394149.db2.gz NCPFEXPSRCJTFL-PRTUASRFSA-N 1 1 260.381 2.710 10 0 CFAEMO CC(C)(C)c1nc2ccc(NC(=O)CCC[NH3+])cc2[nH]1 ZINC000040829240 174411041 /nfs/dbraw/zinc/41/10/41/174411041.db2.gz BCPPOSFGYPJVPS-UHFFFAOYSA-N 1 1 274.368 2.538 10 0 CFAEMO C[C@@H](c1cccc(N)c1)[N@@H+](C)CCc1ccncc1 ZINC000040908258 174431296 /nfs/dbraw/zinc/43/12/96/174431296.db2.gz KYTBPFHXXWPLRY-ZDUSSCGKSA-N 1 1 255.365 2.899 10 0 CFAEMO CCCn1ccnc1[C@@H]([NH3+])c1ccccc1OCC ZINC000041110110 174481504 /nfs/dbraw/zinc/48/15/04/174481504.db2.gz MFHWNPJSJQDDSH-AWEZNQCLSA-N 1 1 259.353 2.740 10 0 CFAEMO CCCn1ccnc1[C@@H]([NH2+]C)c1ccc(OC)c(OC)c1 ZINC000041113470 174483338 /nfs/dbraw/zinc/48/33/38/174483338.db2.gz WPIWGQVEPLXUHE-HNNXBMFYSA-N 1 1 289.379 2.619 10 0 CFAEMO CC[NH2+][C@@H](c1nc(C)c(C)s1)c1c(C)nn(C)c1C ZINC000041190189 174508246 /nfs/dbraw/zinc/50/82/46/174508246.db2.gz RPWCFRRUOHEBBE-CYBMUJFWSA-N 1 1 278.425 2.809 10 0 CFAEMO CC[C@@H](C)[N@@H+](CCOC)Cc1ccc(N)c(C)c1 ZINC000042593171 174812737 /nfs/dbraw/zinc/81/27/37/174812737.db2.gz LUJJLQMREVWWBT-CYBMUJFWSA-N 1 1 250.386 2.824 10 0 CFAEMO CC[C@@H](N)[C@H](c1ccco1)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043336236 175011730 /nfs/dbraw/zinc/01/17/30/175011730.db2.gz SAOBDZVWPGKSBE-JGGQBBKZSA-N 1 1 280.412 2.805 10 0 CFAEMO CC[C@@H](N)[C@H](c1ccco1)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043336236 175011731 /nfs/dbraw/zinc/01/17/31/175011731.db2.gz SAOBDZVWPGKSBE-JGGQBBKZSA-N 1 1 280.412 2.805 10 0 CFAEMO CC[C@H](N)[C@H](c1ccncc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000043353060 175020058 /nfs/dbraw/zinc/02/00/58/175020058.db2.gz 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MBIKOUANFPZWCP-OAHLLOKOSA-N 1 1 264.413 2.996 10 0 CFAEMO CCCC[N@@H+](C)C[C@@H](NC)c1cc(C)ccc1OC ZINC000043816799 175112560 /nfs/dbraw/zinc/11/25/60/175112560.db2.gz MBIKOUANFPZWCP-OAHLLOKOSA-N 1 1 264.413 2.996 10 0 CFAEMO CCCC[NH+](CCCC)[C@@H]1CC2(CC[C@H]1NC)OCCO2 ZINC000043819460 175114100 /nfs/dbraw/zinc/11/41/00/175114100.db2.gz PPXTVPFDYSJHTG-HZPDHXFCSA-N 1 1 298.471 2.772 10 0 CFAEMO CCOc1ccccc1[C@H](C[N@H+](CC)C1CC1)NC ZINC000043821443 175114633 /nfs/dbraw/zinc/11/46/33/175114633.db2.gz FQETZBNHXMEYKS-HNNXBMFYSA-N 1 1 262.397 2.830 10 0 CFAEMO CCOc1ccccc1[C@H](C[N@@H+](CC)C1CC1)NC ZINC000043821443 175114635 /nfs/dbraw/zinc/11/46/35/175114635.db2.gz FQETZBNHXMEYKS-HNNXBMFYSA-N 1 1 262.397 2.830 10 0 CFAEMO CC[N@@H+](C[C@@H](NC)c1cc(OC)ccc1OC)C(C)C ZINC000043824101 175114746 /nfs/dbraw/zinc/11/47/46/175114746.db2.gz OCZUUHYHFFFPLM-OAHLLOKOSA-N 1 1 280.412 2.695 10 0 CFAEMO CCN(C[C@@H]([NH2+]C)c1cc(OC)ccc1OC)C(C)C ZINC000043824101 175114747 /nfs/dbraw/zinc/11/47/47/175114747.db2.gz OCZUUHYHFFFPLM-OAHLLOKOSA-N 1 1 280.412 2.695 10 0 CFAEMO CN[C@H](C[N@H+](C)C1CCCC1)c1ccc(OC)c(OC)c1 ZINC000043883737 175116172 /nfs/dbraw/zinc/11/61/72/175116172.db2.gz ZXKRKRMTMCLXHF-OAHLLOKOSA-N 1 1 292.423 2.839 10 0 CFAEMO CN[C@H](C[N@@H+](C)C1CCCC1)c1ccc(OC)c(OC)c1 ZINC000043883737 175116173 /nfs/dbraw/zinc/11/61/73/175116173.db2.gz ZXKRKRMTMCLXHF-OAHLLOKOSA-N 1 1 292.423 2.839 10 0 CFAEMO CN[C@@H]1c2ccccc2OC[C@@H]1[N@H+](C)C1CCCC1 ZINC000043883767 175116198 /nfs/dbraw/zinc/11/61/98/175116198.db2.gz BBLRCNGFNURRRV-GOEBONIOSA-N 1 1 260.381 2.583 10 0 CFAEMO CN[C@@H]1c2ccccc2OC[C@@H]1[N@@H+](C)C1CCCC1 ZINC000043883767 175116199 /nfs/dbraw/zinc/11/61/99/175116199.db2.gz BBLRCNGFNURRRV-GOEBONIOSA-N 1 1 260.381 2.583 10 0 CFAEMO CCOc1ccccc1[C@H](C[N@H+](C)CC(C)C)NC ZINC000043886621 175116663 /nfs/dbraw/zinc/11/66/63/175116663.db2.gz NUILWBQFFDLPEZ-HNNXBMFYSA-N 1 1 264.413 2.934 10 0 CFAEMO CCOc1ccccc1[C@H](C[N@@H+](C)CC(C)C)NC ZINC000043886621 175116664 /nfs/dbraw/zinc/11/66/64/175116664.db2.gz NUILWBQFFDLPEZ-HNNXBMFYSA-N 1 1 264.413 2.934 10 0 CFAEMO CN[C@H]1c2ccccc2OC[C@H]1[N@H+](C)C1CCCC1 ZINC000043883773 175116717 /nfs/dbraw/zinc/11/67/17/175116717.db2.gz BBLRCNGFNURRRV-ZBFHGGJFSA-N 1 1 260.381 2.583 10 0 CFAEMO CN[C@H]1c2ccccc2OC[C@H]1[N@@H+](C)C1CCCC1 ZINC000043883773 175116718 /nfs/dbraw/zinc/11/67/18/175116718.db2.gz BBLRCNGFNURRRV-ZBFHGGJFSA-N 1 1 260.381 2.583 10 0 CFAEMO CCC[N@H+](C)C[C@@H](NCC)c1cc(OC)ccc1OC ZINC000043886104 175117146 /nfs/dbraw/zinc/11/71/46/175117146.db2.gz XWQBJGYJRKNYIH-OAHLLOKOSA-N 1 1 280.412 2.696 10 0 CFAEMO CCC[N@@H+](C)C[C@@H](NCC)c1cc(OC)ccc1OC ZINC000043886104 175117147 /nfs/dbraw/zinc/11/71/47/175117147.db2.gz XWQBJGYJRKNYIH-OAHLLOKOSA-N 1 1 280.412 2.696 10 0 CFAEMO CC[N@H+](CC(C)C)C[C@H](NC)c1ccc(OC)cc1 ZINC000043887906 175117410 /nfs/dbraw/zinc/11/74/10/175117410.db2.gz VJIPETXZVYWCQR-INIZCTEOSA-N 1 1 264.413 2.934 10 0 CFAEMO CC[N@@H+](CC(C)C)C[C@H](NC)c1ccc(OC)cc1 ZINC000043887906 175117411 /nfs/dbraw/zinc/11/74/11/175117411.db2.gz VJIPETXZVYWCQR-INIZCTEOSA-N 1 1 264.413 2.934 10 0 CFAEMO CCN[C@@H]1c2ccccc2OC[C@@H]1[N@H+](C)[C@@H](C)C1CC1 ZINC000043895028 175119112 /nfs/dbraw/zinc/11/91/12/175119112.db2.gz WGDRAAKMCAMJGL-YLQAJVPDSA-N 1 1 274.408 2.829 10 0 CFAEMO CCN[C@@H]1c2ccccc2OC[C@@H]1[N@@H+](C)[C@@H](C)C1CC1 ZINC000043895028 175119113 /nfs/dbraw/zinc/11/91/13/175119113.db2.gz WGDRAAKMCAMJGL-YLQAJVPDSA-N 1 1 274.408 2.829 10 0 CFAEMO CCC1CC[NH+]([C@@H]2Cc3ccccc3[C@@H]2NC)CC1 ZINC000043913138 175124517 /nfs/dbraw/zinc/12/45/17/175124517.db2.gz DDPAAZJUXZUNRN-SJORKVTESA-N 1 1 258.409 2.994 10 0 CFAEMO CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N(CCOC)CC(C)C ZINC000043970367 175131023 /nfs/dbraw/zinc/13/10/23/175131023.db2.gz KSDBZNDKJQTAQE-XHSDSOJGSA-N 1 1 270.461 2.758 10 0 CFAEMO CN[C@H]1c2ccccc2C[C@@H]1[N@H+](CC(C)C)C1CC1 ZINC000043972097 175132600 /nfs/dbraw/zinc/13/26/00/175132600.db2.gz KRUNMVJKIQSHKH-IRXDYDNUSA-N 1 1 258.409 2.992 10 0 CFAEMO CN[C@H]1c2ccccc2C[C@@H]1[N@@H+](CC(C)C)C1CC1 ZINC000043972097 175132601 /nfs/dbraw/zinc/13/26/01/175132601.db2.gz KRUNMVJKIQSHKH-IRXDYDNUSA-N 1 1 258.409 2.992 10 0 CFAEMO CN[C@H]1c2ccccc2C[C@H]1[N@H+](CC(C)C)C1CC1 ZINC000043972094 175132907 /nfs/dbraw/zinc/13/29/07/175132907.db2.gz KRUNMVJKIQSHKH-SJORKVTESA-N 1 1 258.409 2.992 10 0 CFAEMO CN[C@H]1c2ccccc2C[C@H]1[N@@H+](CC(C)C)C1CC1 ZINC000043972094 175132908 /nfs/dbraw/zinc/13/29/08/175132908.db2.gz KRUNMVJKIQSHKH-SJORKVTESA-N 1 1 258.409 2.992 10 0 CFAEMO CCC[C@H]([NH2+]C)[C@H](CC)N(CCOC)[C@@H](C)CC ZINC000043973194 175133010 /nfs/dbraw/zinc/13/30/10/175133010.db2.gz QCPXHYHLRSKHBM-KKUMJFAQSA-N 1 1 258.450 2.900 10 0 CFAEMO CCC[NH2+][C@H]1CCC[C@H]1N(CCOC)[C@@H](C)C1CC1 ZINC000043977847 175133690 /nfs/dbraw/zinc/13/36/90/175133690.db2.gz DHJHHMRYFIUIPU-CWRNSKLLSA-N 1 1 268.445 2.654 10 0 CFAEMO CCC[NH+]1CCN([C@H](CC)[C@H](O)c2ccccc2)CC1 ZINC000044114205 175141538 /nfs/dbraw/zinc/14/15/38/175141538.db2.gz ULJPFFJIPBCSAQ-IAGOWNOFSA-N 1 1 276.424 2.526 10 0 CFAEMO CCC[NH+]1CCN([C@H](CC)[C@@H](O)c2ccccc2)CC1 ZINC000044114211 175141824 /nfs/dbraw/zinc/14/18/24/175141824.db2.gz ULJPFFJIPBCSAQ-SJORKVTESA-N 1 1 276.424 2.526 10 0 CFAEMO CC[C@@H]([C@H](O)c1ccccc1)[N@@H+](C)C1CCN(C)CC1 ZINC000044121248 175142631 /nfs/dbraw/zinc/14/26/31/175142631.db2.gz YTAMNYAPIUWDHY-DLBZAZTESA-N 1 1 276.424 2.525 10 0 CFAEMO Cc1ccc([C@H](O)[C@@H](C)[N@@H+](C)CCc2ccccn2)cc1 ZINC000044125802 175144310 /nfs/dbraw/zinc/14/43/10/175144310.db2.gz VGPLKVAJPBHPAU-CRAIPNDOSA-N 1 1 284.403 2.986 10 0 CFAEMO CCC[N@@H+](C[C@@H](O)c1ccc(OC)c(OC)c1)C(C)C ZINC000044127364 175144469 /nfs/dbraw/zinc/14/44/69/175144469.db2.gz HJQCLZBKSRYPGY-CQSZACIVSA-N 1 1 281.396 2.858 10 0 CFAEMO CC[C@@H]1C[N@H+]([C@@H]2CCCc3ccccc3[C@@H]2O)CCO1 ZINC000044132640 175144879 /nfs/dbraw/zinc/14/48/79/175144879.db2.gz YWGFNLBZSZCHBO-OIISXLGYSA-N 1 1 275.392 2.536 10 0 CFAEMO CC[N@@H+](C[C@H](O)c1ccccc1OC)C1CCCC1 ZINC000044131821 175145123 /nfs/dbraw/zinc/14/51/23/175145123.db2.gz DACIZWCQQBQPCT-HNNXBMFYSA-N 1 1 263.381 2.993 10 0 CFAEMO CCOc1ccc([C@H](O)C[N@@H+](C)[C@@H](C)C2CC2)cc1 ZINC000044133228 175145198 /nfs/dbraw/zinc/14/51/98/175145198.db2.gz JKDDXVFJSQOYNH-BLLLJJGKSA-N 1 1 263.381 2.849 10 0 CFAEMO Cc1ccc([C@H](O)[C@@H](C)[N@@H+](C)Cc2ccccn2)cc1 ZINC000044133548 175145684 /nfs/dbraw/zinc/14/56/84/175145684.db2.gz WBNCBFIXPKJZKU-RHSMWYFYSA-N 1 1 270.376 2.944 10 0 CFAEMO Cc1ccc(C)c([C@H](O)C[N@H+](C)Cc2ccccn2)c1 ZINC000044133420 175145766 /nfs/dbraw/zinc/14/57/66/175145766.db2.gz XGUJCHWOZCSDCH-QGZVFWFLSA-N 1 1 270.376 2.864 10 0 CFAEMO CCc1ccc([C@@H](O)[C@H](C)[N@H+]2CCOC(C)(C)C2)cc1 ZINC000044159987 175146768 /nfs/dbraw/zinc/14/67/68/175146768.db2.gz RDRGXPAPHVZRGY-BBRMVZONSA-N 1 1 277.408 2.782 10 0 CFAEMO C[C@H]([C@H](O)c1ccccc1)[N@@H+](C)CCc1ccncc1 ZINC000044161005 175147363 /nfs/dbraw/zinc/14/73/63/175147363.db2.gz WOAXOROIRLSBGR-PBHICJAKSA-N 1 1 270.376 2.678 10 0 CFAEMO C[N@@H+](C1CCOCC1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1O ZINC000044160182 175147464 /nfs/dbraw/zinc/14/74/64/175147464.db2.gz GVRRCLQDYXXQME-CFVMTHIKSA-N 1 1 269.429 2.673 10 0 CFAEMO CC[C@H]([C@H](O)c1ccccc1)[N@@H+](CC)[C@@H](C)COC ZINC000044165093 175148075 /nfs/dbraw/zinc/14/80/75/175148075.db2.gz DFVROQFOURXLKV-NUEKZKHPSA-N 1 1 265.397 2.855 10 0 CFAEMO C[C@H]([N@@H+](C)[C@@H]1COc2ccccc2[C@@H]1O)C(C)(C)C ZINC000044164711 175148236 /nfs/dbraw/zinc/14/82/36/175148236.db2.gz YDAHLNPETBYYKF-LNSITVRQSA-N 1 1 263.381 2.847 10 0 CFAEMO CC[N@@H+](C[C@H]1CCCO1)[C@@H]1CCc2ccccc2[C@@H]1O ZINC000044166360 175148419 /nfs/dbraw/zinc/14/84/19/175148419.db2.gz ZOFIASLRYLNWEC-OIISXLGYSA-N 1 1 275.392 2.536 10 0 CFAEMO CC[N@H+](Cc1ccncc1)C[C@H](O)c1ccccc1C ZINC000044169528 175148422 /nfs/dbraw/zinc/14/84/22/175148422.db2.gz WKBRZHFWFWUQMQ-KRWDZBQOSA-N 1 1 270.376 2.946 10 0 CFAEMO COc1cccc([C@@H](O)C[N@@H+](CC(C)C)C2CC2)c1 ZINC000044170502 175148676 /nfs/dbraw/zinc/14/86/76/175148676.db2.gz VYPJLZUHQOMFLY-INIZCTEOSA-N 1 1 263.381 2.849 10 0 CFAEMO C[N@@H+](C[C@H](O)c1cc2ccccc2o1)C[C@@H]1CCCO1 ZINC000044170962 175148679 /nfs/dbraw/zinc/14/86/79/175148679.db2.gz GXBSCAFWCKUTMQ-KBPBESRZSA-N 1 1 275.348 2.577 10 0 CFAEMO CC[N@@H+](CCOC)C[C@H](O)C12CC3CC(CC(C3)C1)C2 ZINC000044173118 175149062 /nfs/dbraw/zinc/14/90/62/175149062.db2.gz BKYQQDLMQGNLRD-KLZNEWFBSA-N 1 1 281.440 2.532 10 0 CFAEMO CCOc1ccc([C@@H](C)O)cc1C[N@@H+](CC)CCOC ZINC000044173353 175149226 /nfs/dbraw/zinc/14/92/26/175149226.db2.gz DLUYTLZFKHZUDM-CYBMUJFWSA-N 1 1 281.396 2.607 10 0 CFAEMO CCc1ccc([C@@H](O)[C@@H](C)[N@@H+](CCOC)C2CC2)cc1 ZINC000044172225 175149235 /nfs/dbraw/zinc/14/92/35/175149235.db2.gz POLFTOUDAUUXOK-DYVFJYSZSA-N 1 1 277.408 2.782 10 0 CFAEMO CC[N@@H+](CCOC)C[C@H](O)c1c(C)cc(C)cc1C ZINC000044173142 175149399 /nfs/dbraw/zinc/14/93/99/175149399.db2.gz ZWIHKVDMLJMWKN-HNNXBMFYSA-N 1 1 265.397 2.614 10 0 CFAEMO COCC[N@@H+]([C@@H](C)C1CC1)[C@@H]1CCc2ccccc2[C@@H]1O ZINC000044173463 175149550 /nfs/dbraw/zinc/14/95/50/175149550.db2.gz LXOFIDJCPLQZKP-VHSSKADRSA-N 1 1 289.419 2.782 10 0 CFAEMO Cc1cc(C)c([C@@H](O)C[N@H+](C)Cc2cnn(C)c2)c(C)c1 ZINC000044175229 175150217 /nfs/dbraw/zinc/15/02/17/175150217.db2.gz KKIFNAUQQRAXHD-INIZCTEOSA-N 1 1 287.407 2.511 10 0 CFAEMO Cc1ccc([C@@H](O)[C@H](C)[N@H+]2CCOCC2(C)C)cc1 ZINC000044178269 175150656 /nfs/dbraw/zinc/15/06/56/175150656.db2.gz YECYXUYKWOAOTL-ZFWWWQNUSA-N 1 1 263.381 2.528 10 0 CFAEMO CCCN1CCN([C@H](c2ccccc2Cl)[C@@H](C)[NH3+])CC1 ZINC000044418480 175173162 /nfs/dbraw/zinc/17/31/62/175173162.db2.gz WMMYTLQYSYTBRC-CJNGLKHVSA-N 1 1 295.858 2.756 10 0 CFAEMO CC[NH+]1CCC(CNc2cc3ccccc3c(=O)[nH]2)CC1 ZINC000044526366 175191349 /nfs/dbraw/zinc/19/13/49/175191349.db2.gz PBJAHWSKZVYWSB-UHFFFAOYSA-N 1 1 285.391 2.672 10 0 CFAEMO C[N@H+]1CCC[C@H](CNc2ccc(N)c3cccnc23)C1 ZINC000044535295 175198413 /nfs/dbraw/zinc/19/84/13/175198413.db2.gz UVUCRUGIQCGJAU-GFCCVEGCSA-N 1 1 270.380 2.571 10 0 CFAEMO C[N@H+]1CCC[C@@H](CNc2ccc(N)c3cccnc23)C1 ZINC000044535297 175199249 /nfs/dbraw/zinc/19/92/49/175199249.db2.gz UVUCRUGIQCGJAU-LBPRGKRZSA-N 1 1 270.380 2.571 10 0 CFAEMO C[N@@H+]1CCC[C@H](Cn2c(N)nc3cccc(Cl)c32)C1 ZINC000044538214 175199665 /nfs/dbraw/zinc/19/96/65/175199665.db2.gz KLVRCUXDHXSAAM-JTQLQIEISA-N 1 1 278.787 2.614 10 0 CFAEMO C[N@H+]1CCC[C@H](Cn2c(N)nc3cccc(Cl)c32)C1 ZINC000044538214 175199667 /nfs/dbraw/zinc/19/96/67/175199667.db2.gz KLVRCUXDHXSAAM-JTQLQIEISA-N 1 1 278.787 2.614 10 0 CFAEMO Cc1cccc(NC(=O)CCC[N@@H+]2CCCC[C@@H]2CN)c1 ZINC000044559128 175203639 /nfs/dbraw/zinc/20/36/39/175203639.db2.gz KVQMEBYGXLDZBI-MRXNPFEDSA-N 1 1 289.423 2.527 10 0 CFAEMO Cc1cccc(NC(=O)CCC[N@H+]2CCCC[C@@H]2CN)c1 ZINC000044559128 175203640 /nfs/dbraw/zinc/20/36/40/175203640.db2.gz KVQMEBYGXLDZBI-MRXNPFEDSA-N 1 1 289.423 2.527 10 0 CFAEMO COc1ccc(C)cc1CNC[C@@H]1CCCC[N@@H+]1C ZINC000044561215 175204985 /nfs/dbraw/zinc/20/49/85/175204985.db2.gz KBVQEOZKHMKEIJ-HNNXBMFYSA-N 1 1 262.397 2.578 10 0 CFAEMO COc1ccc(C)cc1CNC[C@@H]1CCCC[N@H+]1C ZINC000044561215 175204987 /nfs/dbraw/zinc/20/49/87/175204987.db2.gz KBVQEOZKHMKEIJ-HNNXBMFYSA-N 1 1 262.397 2.578 10 0 CFAEMO C[N@H+]1CCCC[C@H]1CNc1ccc(Br)cc1N ZINC000044563536 175206419 /nfs/dbraw/zinc/20/64/19/175206419.db2.gz ULUSNDZZURHALC-NSHDSACASA-N 1 1 298.228 2.928 10 0 CFAEMO C[N@H+]1CCCC[C@H]1CNc1ccc(N)cc1Br ZINC000044563513 175206464 /nfs/dbraw/zinc/20/64/64/175206464.db2.gz UDMSHXQTQCWMHT-NSHDSACASA-N 1 1 298.228 2.928 10 0 CFAEMO CC(C)C[C@H]1CSC(NC[C@H]2CCCCN2C)=[NH+]1 ZINC000044563829 175207757 /nfs/dbraw/zinc/20/77/57/175207757.db2.gz FBTFJIXHLHOKDE-QWHCGFSZSA-N 1 1 269.458 2.578 10 0 CFAEMO Fc1ccc2[nH]c([C@H]3[NH2+]CCc4sccc43)nc2c1 ZINC000044592868 175214139 /nfs/dbraw/zinc/21/41/39/175214139.db2.gz IDQOQJLRMONPFS-ZDUSSCGKSA-N 1 1 273.336 2.999 10 0 CFAEMO [NH3+][C@H](CN[C@@H]1C[C@@H]1c1ccccc1)Cc1ccccc1 ZINC000044675791 175227115 /nfs/dbraw/zinc/22/71/15/175227115.db2.gz YGKIGFDLESUMLI-RCCFBDPRSA-N 1 1 266.388 2.702 10 0 CFAEMO C[C@@H](N[C@@H]1CC[N@H+](C2CC2)C1)c1c(F)cccc1F ZINC000044684226 175230519 /nfs/dbraw/zinc/23/05/19/175230519.db2.gz JYFJXUHDORSQPO-GHMZBOCLSA-N 1 1 266.335 2.852 10 0 CFAEMO C[C@@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1c(F)cccc1F ZINC000044684226 175230520 /nfs/dbraw/zinc/23/05/20/175230520.db2.gz JYFJXUHDORSQPO-GHMZBOCLSA-N 1 1 266.335 2.852 10 0 CFAEMO CCC[N@H+]1CCC[C@@H]([C@@H](C)NCc2cc(C)on2)C1 ZINC000044692684 175233706 /nfs/dbraw/zinc/23/37/06/175233706.db2.gz ZQPMRFYKZAONKT-ZIAGYGMSSA-N 1 1 265.401 2.583 10 0 CFAEMO Cc1cc([C@@H](C)[NH2+]Cc2cc(C(N)=O)ccc2F)c(C)o1 ZINC000044730591 175240024 /nfs/dbraw/zinc/24/00/24/175240024.db2.gz DOAPVKVOALYSHH-SNVBAGLBSA-N 1 1 290.338 2.985 10 0 CFAEMO CC[N@@H+](CC(N)=S)Cc1ccc(OC(F)(F)F)cc1 ZINC000045063427 175299186 /nfs/dbraw/zinc/29/91/86/175299186.db2.gz ILOMNMCHTAPZFJ-UHFFFAOYSA-N 1 1 292.326 2.693 10 0 CFAEMO C[N@@H+](CCC(=O)Nc1ccc(F)c(N)c1)CC(C)(C)C ZINC000045064646 175299570 /nfs/dbraw/zinc/29/95/70/175299570.db2.gz XRGYNTJVDXKMLW-UHFFFAOYSA-N 1 1 281.375 2.714 10 0 CFAEMO CN[C@H](C[N@H+](C)CC(C)(C)C)c1ccc2c(c1)OCCO2 ZINC000045072415 175301862 /nfs/dbraw/zinc/30/18/62/175301862.db2.gz JJHCUZATLXKBGQ-CQSZACIVSA-N 1 1 292.423 2.696 10 0 CFAEMO CN[C@H](C[N@@H+](C)CC(C)(C)C)c1ccc2c(c1)OCCO2 ZINC000045072415 175301863 /nfs/dbraw/zinc/30/18/63/175301863.db2.gz JJHCUZATLXKBGQ-CQSZACIVSA-N 1 1 292.423 2.696 10 0 CFAEMO CN[C@H](C[N@H+](C)CC(C)(C)C)c1ccc(OC)cc1 ZINC000045072401 175301873 /nfs/dbraw/zinc/30/18/73/175301873.db2.gz WSDSQIRCTITKAI-OAHLLOKOSA-N 1 1 264.413 2.934 10 0 CFAEMO CN[C@H](C[N@@H+](C)CC(C)(C)C)c1ccc(OC)cc1 ZINC000045072401 175301875 /nfs/dbraw/zinc/30/18/75/175301875.db2.gz WSDSQIRCTITKAI-OAHLLOKOSA-N 1 1 264.413 2.934 10 0 CFAEMO COc1ccc([C@@H](N)C[N@@H+](C)CC(C)(C)C)c(OC)c1 ZINC000045072620 175302038 /nfs/dbraw/zinc/30/20/38/175302038.db2.gz HEGBBRKSIAEEMF-AWEZNQCLSA-N 1 1 280.412 2.682 10 0 CFAEMO COc1ccc([C@@H]([NH3+])CN(C)CC(C)(C)C)c(OC)c1 ZINC000045072620 175302040 /nfs/dbraw/zinc/30/20/40/175302040.db2.gz HEGBBRKSIAEEMF-AWEZNQCLSA-N 1 1 280.412 2.682 10 0 CFAEMO CN[C@@H](C[N@H+](C)CC(C)(C)C)c1ccc2c(c1)OCO2 ZINC000045072408 175302069 /nfs/dbraw/zinc/30/20/69/175302069.db2.gz FYPBOTKHWZTQJT-ZDUSSCGKSA-N 1 1 278.396 2.654 10 0 CFAEMO CN[C@@H](C[N@@H+](C)CC(C)(C)C)c1ccc2c(c1)OCO2 ZINC000045072408 175302070 /nfs/dbraw/zinc/30/20/70/175302070.db2.gz FYPBOTKHWZTQJT-ZDUSSCGKSA-N 1 1 278.396 2.654 10 0 CFAEMO Cn1ccnc1[C@H]([NH2+][C@@H]1CC1(C)C)c1cccs1 ZINC000045117254 175311519 /nfs/dbraw/zinc/31/15/19/175311519.db2.gz IICIQIQMOZMDRU-VXGBXAGGSA-N 1 1 261.394 2.959 10 0 CFAEMO C[C@@H](C(N)=S)[N@H+](C)Cc1sccc1Br ZINC000045147222 175317219 /nfs/dbraw/zinc/31/72/19/175317219.db2.gz XBELDZRFPNVBLF-LURJTMIESA-N 1 1 293.255 2.617 10 0 CFAEMO C[C@@H](C(N)=S)[N@@H+](C)Cc1sccc1Br ZINC000045147222 175317221 /nfs/dbraw/zinc/31/72/21/175317221.db2.gz XBELDZRFPNVBLF-LURJTMIESA-N 1 1 293.255 2.617 10 0 CFAEMO COc1ccc2cc([C@H]([NH3+])c3c(C)nn(C)c3C)oc2c1 ZINC000045168934 175319793 /nfs/dbraw/zinc/31/97/93/175319793.db2.gz JBGCYNGCVBLVEW-INIZCTEOSA-N 1 1 285.347 2.840 10 0 CFAEMO Cc1nn(C)c(C)c1[C@H](C)[NH2+]C[C@@H](C(C)C)N1CCCC1 ZINC000045168889 175320101 /nfs/dbraw/zinc/32/01/01/175320101.db2.gz ZKBPDYYXWOMTBO-BBRMVZONSA-N 1 1 292.471 2.808 10 0 CFAEMO CCn1nc(C)c([C@H](C)NC[C@@H]2CC[N@H+](C(C)C)C2)c1C ZINC000045172114 175321755 /nfs/dbraw/zinc/32/17/55/175321755.db2.gz IMPFYTHPAMKMDI-BBRMVZONSA-N 1 1 292.471 2.901 10 0 CFAEMO CCCC[N@@H+](CC)CC[C@@](C)(NC1CC1)C(=O)OCC ZINC000045223437 175331321 /nfs/dbraw/zinc/33/13/21/175331321.db2.gz RELNCKSAJQPBKO-MRXNPFEDSA-N 1 1 284.444 2.572 10 0 CFAEMO CCOC(=O)[C@@](C)(CC[N@@H+](CC)C1CCCCC1)NC ZINC000045224134 175332162 /nfs/dbraw/zinc/33/21/62/175332162.db2.gz ITMVCQMHGMRHMZ-MRXNPFEDSA-N 1 1 284.444 2.572 10 0 CFAEMO CCCN[C@](C)(C[N@@H+](C)C1CCCCC1)C(=O)OCC ZINC000045231168 175334742 /nfs/dbraw/zinc/33/47/42/175334742.db2.gz FLMZVQLZGHQGLX-MRXNPFEDSA-N 1 1 284.444 2.572 10 0 CFAEMO CCCN[C@@](C)(CC[N@@H+](C)C1CCCCC1)C(=O)OC ZINC000045231297 175334764 /nfs/dbraw/zinc/33/47/64/175334764.db2.gz FVESFGSUNHDLHE-INIZCTEOSA-N 1 1 284.444 2.572 10 0 CFAEMO CCCN[C@@](C)(C[N@@H+]1[C@H](C)CCC[C@@H]1C)C(=O)OCC ZINC000045231797 175335468 /nfs/dbraw/zinc/33/54/68/175335468.db2.gz OHTDACHCEJYPEG-LZWOXQAQSA-N 1 1 284.444 2.571 10 0 CFAEMO CCC[N@@H+](C[C@@](N)(C(=O)OCC)c1ccccc1)C(C)C ZINC000045266689 175338986 /nfs/dbraw/zinc/33/89/86/175338986.db2.gz PGAVUVRKDRNPSR-KRWDZBQOSA-N 1 1 292.423 2.524 10 0 CFAEMO CCC[N@@H+](CC[C@](C)(NC1CC1)C(=O)OCC)C(C)C ZINC000045266985 175339305 /nfs/dbraw/zinc/33/93/05/175339305.db2.gz JNQIYIRTVPUDEC-INIZCTEOSA-N 1 1 284.444 2.571 10 0 CFAEMO CC(C)[NH2+][C@](C)(CC[N@@H+](C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000045274782 175345338 /nfs/dbraw/zinc/34/53/38/175345338.db2.gz ARPFXOLUZHMWAK-SWLSCSKDSA-N 1 1 272.433 2.584 10 0 CFAEMO CCOC(=O)[C@@](C)(C[N@@H+](C)[C@@H]1CCCC[C@@H]1C)NC1CC1 ZINC000045279051 175349332 /nfs/dbraw/zinc/34/93/32/175349332.db2.gz UGLYDLGNAVYGLK-YSVLISHTSA-N 1 1 296.455 2.571 10 0 CFAEMO CCCCC[N@@H+](CC[C@](C)(NCCC)C(N)=O)C(C)C ZINC000045278645 175349406 /nfs/dbraw/zinc/34/94/06/175349406.db2.gz SDZMGYWDKOHOAG-INIZCTEOSA-N 1 1 285.476 2.521 10 0 CFAEMO CC(C)[NH2+][C@@](C)(CC[N@@H+](C)[C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000045279077 175349468 /nfs/dbraw/zinc/34/94/68/175349468.db2.gz ZUIRZZPNTVFMBP-LZWOXQAQSA-N 1 1 284.444 2.728 10 0 CFAEMO CCN[C@](C)(CC[N@@H+](C)[C@@H](C)CC(C)C)C(=O)OCC ZINC000045280020 175350008 /nfs/dbraw/zinc/35/00/08/175350008.db2.gz VBRMFUGWRCJEJF-GOEBONIOSA-N 1 1 286.460 2.674 10 0 CFAEMO CCC1CCC([N@@H+](C)C[C@@](C)(NC(C)C)C(=O)OC)CC1 ZINC000045281116 175351868 /nfs/dbraw/zinc/35/18/68/175351868.db2.gz LTDPILPMRSLSLZ-VMBOVVBDSA-N 1 1 298.471 2.817 10 0 CFAEMO CCOC(=O)[C@](C)(CC[N@@H+](C)C1CCC(CC)CC1)NC ZINC000045281146 175352091 /nfs/dbraw/zinc/35/20/91/175352091.db2.gz HTWWCBBIWKGFEY-DQPZFDDXSA-N 1 1 298.471 2.818 10 0 CFAEMO CCC1CCC([N@@H+](C)C[C@@](C)(NC2CC2)C(=O)OC)CC1 ZINC000045281121 175352195 /nfs/dbraw/zinc/35/21/95/175352195.db2.gz MBWVEWQPLNQJRU-PUJMQQBBSA-N 1 1 296.455 2.571 10 0 CFAEMO CCC[NH2+][C@](C)(CC[N@@H+](C)CC1CCCCC1)C(=O)[O-] ZINC000045281613 175352783 /nfs/dbraw/zinc/35/27/83/175352783.db2.gz OUDDEZAZAUJKOT-MRXNPFEDSA-N 1 1 284.444 2.732 10 0 CFAEMO CCCC[N@@H+](CC[C@@](C)(NCC)C(=O)OC)[C@@H](C)CC ZINC000045282648 175353660 /nfs/dbraw/zinc/35/36/60/175353660.db2.gz LJCDSMPGYPDGMR-GOEBONIOSA-N 1 1 286.460 2.818 10 0 CFAEMO CCCC[N@@H+](C)CCCC[C@](C)(NCCC)C(=O)OC ZINC000045368246 175363231 /nfs/dbraw/zinc/36/32/31/175363231.db2.gz CPIVFYVNSGNQBE-INIZCTEOSA-N 1 1 286.460 2.820 10 0 CFAEMO CCCN[C@](C)(CCCC[N@H+]1CCC[C@@H]1C)C(=O)OC ZINC000045367805 175363359 /nfs/dbraw/zinc/36/33/59/175363359.db2.gz QOLXEUSOWWXEGI-GOEBONIOSA-N 1 1 284.444 2.572 10 0 CFAEMO CCCC[N@@H+](CC)CCCC[C@@](C)(NC)C(=O)OCC ZINC000045370468 175364181 /nfs/dbraw/zinc/36/41/81/175364181.db2.gz ADCLBFLESNUESN-MRXNPFEDSA-N 1 1 286.460 2.820 10 0 CFAEMO CC[NH2+][C@@](C)(CCC[N@@H+](CC)C1CCCCC1)C(=O)[O-] ZINC000045372348 175364809 /nfs/dbraw/zinc/36/48/09/175364809.db2.gz CBDTXHVPMSMMBK-INIZCTEOSA-N 1 1 284.444 2.874 10 0 CFAEMO CC[N@@H+](CCCC[C@@](C)([NH2+]C)C(=O)[O-])C1CCCCC1 ZINC000045372276 175365005 /nfs/dbraw/zinc/36/50/05/175365005.db2.gz RCTUGZOLOXJGEX-MRXNPFEDSA-N 1 1 284.444 2.874 10 0 CFAEMO CCOC(=O)[C@](C)(CCC[N@H+]1CCCC[C@@H]1C)NC(C)C ZINC000045376171 175366413 /nfs/dbraw/zinc/36/64/13/175366413.db2.gz GDMLJFYRXADCLD-RDJZCZTQSA-N 1 1 298.471 2.961 10 0 CFAEMO CC[NH2+][C@](C)(CCCC[N@@H+](C)C1CCCCC1)C(=O)[O-] ZINC000045379046 175367999 /nfs/dbraw/zinc/36/79/99/175367999.db2.gz SNJNOIZNIFMPEH-MRXNPFEDSA-N 1 1 284.444 2.874 10 0 CFAEMO CCC[NH2+][C@](C)(CCCC[N@@H+](C)[C@@H](C)CC)C(=O)[O-] ZINC000045381232 175369874 /nfs/dbraw/zinc/36/98/74/175369874.db2.gz BNMGZDLSMUURDR-DZGCQCFKSA-N 1 1 272.433 2.730 10 0 CFAEMO CCC[N@@H+](C)CCCC[C@](C)(NC(C)C)C(=O)OCC ZINC000045382224 175371158 /nfs/dbraw/zinc/37/11/58/175371158.db2.gz JKDDWRQVPLENBM-INIZCTEOSA-N 1 1 286.460 2.818 10 0 CFAEMO CCOC(=O)[C@@](C)(CCC[N@@H+](CC)C(C)C)NC(C)C ZINC000045383885 175371370 /nfs/dbraw/zinc/37/13/70/175371370.db2.gz NQVATCOTODMAPR-MRXNPFEDSA-N 1 1 286.460 2.817 10 0 CFAEMO CCOC(=O)[C@](C)(CCC[N@@H+](C)C1CCCC1)NC(C)C ZINC000045384926 175372110 /nfs/dbraw/zinc/37/21/10/175372110.db2.gz FBKRIFOJMLENIK-KRWDZBQOSA-N 1 1 298.471 2.961 10 0 CFAEMO CC(C)[NH2+][C@](C)(CCCC[N@@H+](C)C1CCCC1)C(=O)[O-] ZINC000045384628 175372143 /nfs/dbraw/zinc/37/21/43/175372143.db2.gz XOFFIAWGIUUWFT-MRXNPFEDSA-N 1 1 284.444 2.872 10 0 CFAEMO CCC[N@@H+](CC)CCC[C@@](C)(NC1CC1)C(=O)OCC ZINC000045387156 175372924 /nfs/dbraw/zinc/37/29/24/175372924.db2.gz ZXIQAMMKDFWUJK-MRXNPFEDSA-N 1 1 284.444 2.572 10 0 CFAEMO CCCCC[N@@H+](C)CCC[C@](C)([NH2+]CCC)C(=O)[O-] ZINC000045388063 175373925 /nfs/dbraw/zinc/37/39/25/175373925.db2.gz BZVVWNQTCCJLCN-HNNXBMFYSA-N 1 1 272.433 2.732 10 0 CFAEMO CCCCC[N@@H+](C)CCCC[C@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000045387917 175374201 /nfs/dbraw/zinc/37/42/01/175374201.db2.gz DYHUANVXFRZVLW-INIZCTEOSA-N 1 1 284.444 2.874 10 0 CFAEMO CC[N@@H+](CCCC[C@@](C)(NC)C(=O)OC)C1CCCC1 ZINC000045390474 175374624 /nfs/dbraw/zinc/37/46/24/175374624.db2.gz RBUKBVOIHRTURA-MRXNPFEDSA-N 1 1 284.444 2.572 10 0 CFAEMO CC(C)[NH2+][C@@](C)(CCCC[N@@H+](C)[C@@H](C)C1CC1)C(=O)[O-] ZINC000045392803 175375640 /nfs/dbraw/zinc/37/56/40/175375640.db2.gz GHKZHUMCSVVTMV-BBRMVZONSA-N 1 1 284.444 2.728 10 0 CFAEMO COC(=O)[C@](C)(N)CCCC[NH+](CC(C)C)CC(C)C ZINC000045420390 175378388 /nfs/dbraw/zinc/37/83/88/175378388.db2.gz ILJAPQKAZNPUFP-MRXNPFEDSA-N 1 1 286.460 2.661 10 0 CFAEMO CCN[C@@](C)(CCC[N@@H+](C)[C@@H](C)C(C)(C)C)C(=O)OC ZINC000045421025 175380238 /nfs/dbraw/zinc/38/02/38/175380238.db2.gz LTABGUNLLXYTNJ-BBRMVZONSA-N 1 1 286.460 2.674 10 0 CFAEMO COc1cc2c(cc1OC)[C@@H](c1c(C)noc1C)[NH2+]CC2 ZINC000071494029 176191342 /nfs/dbraw/zinc/19/13/42/176191342.db2.gz QOTVPEMIKASQKW-INIZCTEOSA-N 1 1 288.347 2.544 10 0 CFAEMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1C[C@@H]1C ZINC000075977763 176855323 /nfs/dbraw/zinc/85/53/23/176855323.db2.gz IXQCYYNCDHVOHV-XJKSGUPXSA-N 1 1 289.423 2.734 10 0 CFAEMO CC(C)Oc1ccc(COC(=O)[C@H](C)[NH3+])cc1Cl ZINC000076412958 177020829 /nfs/dbraw/zinc/02/08/29/177020829.db2.gz NSEWSEPVLNBSME-VIFPVBQESA-N 1 1 271.744 2.518 10 0 CFAEMO CCCc1nc(C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)cs1 ZINC000399058618 270325586 /nfs/dbraw/zinc/32/55/86/270325586.db2.gz IISJDHFLPFRUQO-SGMGOOAPSA-N 1 1 280.437 2.688 10 0 CFAEMO CC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)CCC)C1 ZINC000184499702 262021466 /nfs/dbraw/zinc/02/14/66/262021466.db2.gz VGMIFWQPOKFYGI-VBROQKIQSA-N 1 1 252.402 2.723 10 0 CFAEMO O=C(N1CC[N@@H+]2CCCC[C@@H]2C1)C1(c2ccccc2)CCC1 ZINC000195067698 270249516 /nfs/dbraw/zinc/24/95/16/270249516.db2.gz KKWCTFVQXDZRDD-QGZVFWFLSA-N 1 1 298.430 2.805 10 0 CFAEMO O=C(N1CC[N@H+]2CCCC[C@@H]2C1)C1(c2ccccc2)CCC1 ZINC000195067698 270249518 /nfs/dbraw/zinc/24/95/18/270249518.db2.gz KKWCTFVQXDZRDD-QGZVFWFLSA-N 1 1 298.430 2.805 10 0 CFAEMO CC[C@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000192075930 270229109 /nfs/dbraw/zinc/22/91/09/270229109.db2.gz AHIMVEDMTDVBIS-CKEIUWERSA-N 1 1 297.439 2.734 10 0 CFAEMO CCOc1ccccc1NC(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000194319012 270244598 /nfs/dbraw/zinc/24/45/98/270244598.db2.gz WFNYGCAGSXGPOS-CYBMUJFWSA-N 1 1 291.395 2.691 10 0 CFAEMO O[C@@H]1CC[C@H]2C[N@@H+](CCOc3ccccc3Cl)C[C@H]2C1 ZINC000398973495 270326058 /nfs/dbraw/zinc/32/60/58/270326058.db2.gz BEJQUIAHMXEXBF-BFHYXJOUSA-N 1 1 295.810 2.812 10 0 CFAEMO C[C@H]1[C@@H](C)[N@H+](C[C@H](O)COCc2ccccc2)C[C@H]1C ZINC000399643172 270329709 /nfs/dbraw/zinc/32/97/09/270329709.db2.gz XZQMMJDFLQJYIH-ANQUJSFKSA-N 1 1 277.408 2.540 10 0 CFAEMO C[C@@H]1[C@H](C)C[N@@H+](C[C@H](O)COCc2ccccc2)[C@H]1C ZINC000399643170 270329858 /nfs/dbraw/zinc/32/98/58/270329858.db2.gz XZQMMJDFLQJYIH-AIANPOQGSA-N 1 1 277.408 2.540 10 0 CFAEMO OCCC[C@@H]1CCC[N@H+]1Cc1cccc2cccnc21 ZINC000052762790 275046354 /nfs/dbraw/zinc/04/63/54/275046354.db2.gz ADXHVOGQQUAUEV-INIZCTEOSA-N 1 1 270.376 2.972 10 0 CFAEMO C([C@@H]1CCCCO1)[N@@H+]1CCC[C@@H]1c1nc2c([nH]1)CCCC2 ZINC000328629451 275396640 /nfs/dbraw/zinc/39/66/40/275396640.db2.gz IFXGTMKRJOKKAS-XJKSGUPXSA-N 1 1 289.423 2.995 10 0 CFAEMO C([C@@H]1CCCCO1)[N@H+]1CCC[C@@H]1c1nc2c([nH]1)CCCC2 ZINC000328629451 275396641 /nfs/dbraw/zinc/39/66/41/275396641.db2.gz IFXGTMKRJOKKAS-XJKSGUPXSA-N 1 1 289.423 2.995 10 0 CFAEMO CCC[C@@H](C)[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000253355973 276022086 /nfs/dbraw/zinc/02/20/86/276022086.db2.gz XIIQBKCOVAUKGS-KGLIPLIRSA-N 1 1 262.401 2.566 10 0 CFAEMO CC(C)c1nnc(C[N@@H+]2CCCC(C)(C)C2)n1C ZINC000112701560 276073940 /nfs/dbraw/zinc/07/39/40/276073940.db2.gz YRYNFWUXCJXSMG-UHFFFAOYSA-N 1 1 250.390 2.561 10 0 CFAEMO CC(C)c1nnc(C[N@H+]2CCCC(C)(C)C2)n1C ZINC000112701560 276073941 /nfs/dbraw/zinc/07/39/41/276073941.db2.gz YRYNFWUXCJXSMG-UHFFFAOYSA-N 1 1 250.390 2.561 10 0 CFAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)CCc1ccccc1 ZINC000177026148 276168282 /nfs/dbraw/zinc/16/82/82/276168282.db2.gz RICVAGGZAFQXIJ-MRXNPFEDSA-N 1 1 274.408 2.562 10 0 CFAEMO CN1CCC([N@H+]2CC[C@H](C3CCCCC3)C2)CC1 ZINC000032598309 277028382 /nfs/dbraw/zinc/02/83/82/277028382.db2.gz UHDZCYDSHIGQCV-HNNXBMFYSA-N 1 1 250.430 2.983 10 0 CFAEMO CC(C)C[N@H+]1CCC[C@@H]1CN[C@@H](C)c1nccs1 ZINC000090773266 277394312 /nfs/dbraw/zinc/39/43/12/277394312.db2.gz HKUSXWBXWKHDDX-QWHCGFSZSA-N 1 1 267.442 2.914 10 0 CFAEMO COc1cc(C[NH2+][C@H]2CCCn3nc(C)nc32)ccc1C ZINC000194356938 277819965 /nfs/dbraw/zinc/81/99/65/277819965.db2.gz NRHBCTNBILZISW-AWEZNQCLSA-N 1 1 286.379 2.528 10 0 CFAEMO CC1(C)CC[N@@H+](C[C@H]2CCCC2(F)F)CC[S@]1=O ZINC000336305326 278258975 /nfs/dbraw/zinc/25/89/75/278258975.db2.gz GBWWIOHRTAUQRC-ZMZPIMSZSA-N 1 1 279.396 2.655 10 0 CFAEMO C[C@H]([NH2+]C[C@H](O)CN1CCCCC1)c1ccc(Cl)cc1 ZINC000151325012 278263476 /nfs/dbraw/zinc/26/34/76/278263476.db2.gz IUZAPUMKRLBQAS-BBRMVZONSA-N 1 1 296.842 2.837 10 0 CFAEMO C[C@H](N[C@@H]1C[C@@H]([NH3+])c2ccccc21)[C@@H]1CCCCO1 ZINC000262023953 278277826 /nfs/dbraw/zinc/27/78/26/278277826.db2.gz YWTFGHZLDFZACL-SRMUXQRQSA-N 1 1 260.381 2.678 10 0 CFAEMO Cc1[nH+]c(C)c(Br)c(N)c1Br ZINC000039173454 279073477 /nfs/dbraw/zinc/07/34/77/279073477.db2.gz OHSXPOOWBJWLPB-UHFFFAOYSA-N 1 1 279.963 2.806 10 0 CFAEMO Cc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCCn3ncnc32)s1 ZINC000178356318 279079131 /nfs/dbraw/zinc/07/91/31/279079131.db2.gz DTRSODIVAUHIMH-MWLCHTKSSA-N 1 1 277.397 2.537 10 0 CFAEMO Cc1nc(C)c([C@@H](C)[NH2+][C@H]2CCCn3ncnc32)s1 ZINC000178356346 279079342 /nfs/dbraw/zinc/07/93/42/279079342.db2.gz DTRSODIVAUHIMH-KOLCDFICSA-N 1 1 277.397 2.537 10 0 CFAEMO Cc1nccc(N2CCC[C@@H]([C@H](C)[NH3+])C2)c1Cl ZINC000261549278 279164886 /nfs/dbraw/zinc/16/48/86/279164886.db2.gz KHXDSHFEMGZPCS-GXSJLCMTSA-N 1 1 253.777 2.607 10 0 CFAEMO CC[N@H+]1CCC[C@H](NC(=O)N2CCC3(C2)CCCCC3)C1 ZINC000174235535 279318122 /nfs/dbraw/zinc/31/81/22/279318122.db2.gz SDIMCLMVVPJPOY-HNNXBMFYSA-N 1 1 293.455 2.837 10 0 CFAEMO CC[N@H+]1CCC[C@H]1CN(C)c1ccncc1Br ZINC000164075893 279328500 /nfs/dbraw/zinc/32/85/00/279328500.db2.gz YQPLJEZTIGETLZ-NSHDSACASA-N 1 1 298.228 2.765 10 0 CFAEMO Cc1cc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc(C)c1F ZINC000245649108 280344070 /nfs/dbraw/zinc/34/40/70/280344070.db2.gz CZEWGVOOLGXOBO-UKRRQHHQSA-N 1 1 290.382 2.751 10 0 CFAEMO CCCC[C@H](CC)CC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000246926579 281000644 /nfs/dbraw/zinc/00/06/44/281000644.db2.gz ZDGNJXYPONZPKI-XHSDSOJGSA-N 1 1 298.471 2.506 10 0 CFAEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCC2(C3CC3)CCC2)C1 ZINC000246950418 281001424 /nfs/dbraw/zinc/00/14/24/281001424.db2.gz ZRYFZEDXPTWKIG-UKRRQHHQSA-N 1 1 293.455 2.595 10 0 CFAEMO CCCC(O)(CCC)CC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246997802 281002989 /nfs/dbraw/zinc/00/29/89/281002989.db2.gz WSGRKMLBJSKGGD-CABCVRRESA-N 1 1 298.471 2.553 10 0 CFAEMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000247485751 281012158 /nfs/dbraw/zinc/01/21/58/281012158.db2.gz TWSLJLQRBHGSIR-PMPSAXMXSA-N 1 1 278.440 2.803 10 0 CFAEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[C@@H](C)C2)C1 ZINC000247690889 281015869 /nfs/dbraw/zinc/01/58/69/281015869.db2.gz SPLSHHDODGQELO-APIJFGDWSA-N 1 1 266.429 2.658 10 0 CFAEMO CC[C@@H]1C[N@@H+](C[C@@H]2CCCC[C@@H]2C)CCN1C[C@H](C)O ZINC000248491759 281024010 /nfs/dbraw/zinc/02/40/10/281024010.db2.gz OFAZMPXWQSLQLW-LUKYLMHMSA-N 1 1 282.472 2.590 10 0 CFAEMO CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)C(F)(F)F)C12CCCC2 ZINC000248555029 281026005 /nfs/dbraw/zinc/02/60/05/281026005.db2.gz HXKUZTJKUOKYLU-IJLUTSLNSA-N 1 1 295.345 2.579 10 0 CFAEMO CCCCOC[C@@H](O)C[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000248661784 281030995 /nfs/dbraw/zinc/03/09/95/281030995.db2.gz XPUMJQHNDSPXLQ-HIFRSBDPSA-N 1 1 281.396 2.983 10 0 CFAEMO CCCCOC[C@H](O)C[N@@H+](C)[C@H](C)c1ccccc1 ZINC000248653055 281031015 /nfs/dbraw/zinc/03/10/15/281031015.db2.gz OJPUAWDFGNYLFV-GDBMZVCRSA-N 1 1 265.397 2.857 10 0 CFAEMO CC[C@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000248802245 281035460 /nfs/dbraw/zinc/03/54/60/281035460.db2.gz AHIMVEDMTDVBIS-CPUCHLNUSA-N 1 1 297.439 2.734 10 0 CFAEMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+]1C[C@H]1CCC=CO1 ZINC000249038793 281045013 /nfs/dbraw/zinc/04/50/13/281045013.db2.gz UCTWZSFCOVOHLU-UONOGXRCSA-N 1 1 296.411 2.668 10 0 CFAEMO Cc1ccc(CN2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)cc1Cl ZINC000249041603 281046145 /nfs/dbraw/zinc/04/61/45/281046145.db2.gz UZMSZAGPGHVYFM-KBPBESRZSA-N 1 1 296.842 2.535 10 0 CFAEMO CC1=CCC[C@H](C)[C@H]1C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000249116133 281049510 /nfs/dbraw/zinc/04/95/10/281049510.db2.gz SFVFPKLOIORCIW-BBWFWOEESA-N 1 1 288.439 2.983 10 0 CFAEMO C[C@@H](NC(=O)NCC[N@H+]1CCC[C@H](C)C1)c1cccs1 ZINC000249308093 281055821 /nfs/dbraw/zinc/05/58/21/281055821.db2.gz KKSNCUHPDZGNSC-QWHCGFSZSA-N 1 1 295.452 2.840 10 0 CFAEMO Cc1ccc([C@H](C)[NH2+]CC(=O)N[C@H]2CCCC[C@H]2C)o1 ZINC000249824157 281067035 /nfs/dbraw/zinc/06/70/35/281067035.db2.gz PCYCQGRHMYRAEM-XBFCOCLRSA-N 1 1 278.396 2.934 10 0 CFAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)/C=C\c1cccc(F)c1 ZINC000255266303 281092283 /nfs/dbraw/zinc/09/22/83/281092283.db2.gz HNGPITYFFWVDNA-RDIZVCBXSA-N 1 1 288.366 2.534 10 0 CFAEMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1Cc1cccnc1Cl ZINC000252660793 288299065 /nfs/dbraw/zinc/29/90/65/288299065.db2.gz DKHUJKHSBQEUNH-OCCSQVGLSA-N 1 1 279.815 2.794 10 0 CFAEMO CC[C@H]([NH2+][C@@H]1CCCN[C@@H]1C)c1ccc(OC)cc1 ZINC000396702733 281197178 /nfs/dbraw/zinc/19/71/78/281197178.db2.gz UVPINNXGGRJFHT-UHOFOFEASA-N 1 1 262.397 2.876 10 0 CFAEMO CCCCOC[C@H](O)C[N@H+]1CCC[C@H]1CC(C)C ZINC000396839650 281198292 /nfs/dbraw/zinc/19/82/92/281198292.db2.gz LZLTZJPYKZGXOC-LSDHHAIUSA-N 1 1 257.418 2.675 10 0 CFAEMO O[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3)C[C@H]2C1 ZINC000398800197 281209400 /nfs/dbraw/zinc/20/94/00/281209400.db2.gz QWQIEMRRSJZZKI-JHJVBQTASA-N 1 1 267.319 2.558 10 0 CFAEMO O[C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(F)c3F)C[C@H]2C1 ZINC000398768620 281209526 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2.816 10 0 CFAEMO C[C@H](Cc1ccsc1)[NH2+][C@H](C)[C@@H]1CCCN(C)C1 ZINC000049156030 524763244 /nfs/dbraw/zinc/76/32/44/524763244.db2.gz DTUVGODIKOGNJM-UMVBOHGHSA-N 1 1 266.454 2.999 10 0 CFAEMO C[C@H]1C[C@@H](C(=O)N2Cc3ccccc3C3(CC3)C2)CC[N@H+]1C ZINC000336376979 524766814 /nfs/dbraw/zinc/76/68/14/524766814.db2.gz KJGOYJDYUWDJBZ-GJZGRUSLSA-N 1 1 298.430 2.791 10 0 CFAEMO COc1ccc(OC)c(NCC[C@@H]2CCCC[N@H+]2C)c1 ZINC000052205263 524871435 /nfs/dbraw/zinc/87/14/35/524871435.db2.gz DOPFEVNHTPWLJV-ZDUSSCGKSA-N 1 1 278.396 2.990 10 0 CFAEMO COc1ccc(OCCC[N@H+]2CCS[C@H](C)C2)cc1 ZINC000171698313 524943639 /nfs/dbraw/zinc/94/36/39/524943639.db2.gz ODCSSFPEBZWIJY-CYBMUJFWSA-N 1 1 281.421 2.901 10 0 CFAEMO C[C@@H]1C[N@@H+](Cc2nnc(C3CC3)n2C)[C@H]2CCCC[C@H]12 ZINC000182498995 525036815 /nfs/dbraw/zinc/03/68/15/525036815.db2.gz IZVZPRNLYQTMBH-BNOWGMLFSA-N 1 1 274.412 2.703 10 0 CFAEMO Cc1ccc(NC(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1Cl ZINC000049444127 525134917 /nfs/dbraw/zinc/13/49/17/525134917.db2.gz 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277.412 2.740 10 0 CFAEMO CC[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1Cc1oc(C)nc1C ZINC000383904369 543100774 /nfs/dbraw/zinc/10/07/74/543100774.db2.gz NHOTULSXYPZHPU-HUUCEWRRSA-N 1 1 277.412 2.740 10 0 CFAEMO CC[C@@H]1CN2CCCC[C@@H]2C[N@H+]1Cc1oc(C)nc1C ZINC000383904369 543100777 /nfs/dbraw/zinc/10/07/77/543100777.db2.gz NHOTULSXYPZHPU-HUUCEWRRSA-N 1 1 277.412 2.740 10 0 CFAEMO C[C@@H](C1CC1)N(Cc1ccccc1)CC(F)(F)C[NH3+] ZINC000385446851 543102385 /nfs/dbraw/zinc/10/23/85/543102385.db2.gz VCPQGWTYRUMHKY-LBPRGKRZSA-N 1 1 268.351 2.881 10 0 CFAEMO CCC(CC)(CC)C[NH2+]C[C@H](O)CN1CCCCC1 ZINC000391195215 543106508 /nfs/dbraw/zinc/10/65/08/543106508.db2.gz VUKDJQDSHZYFEH-HNNXBMFYSA-N 1 1 270.461 2.639 10 0 CFAEMO CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1CCCOC(C)C ZINC000387185941 543103127 /nfs/dbraw/zinc/10/31/27/543103127.db2.gz LOIYCIWWNUUWPF-HZPDHXFCSA-N 1 1 268.445 2.750 10 0 CFAEMO CC[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1CCCOC(C)C ZINC000387185941 543103131 /nfs/dbraw/zinc/10/31/31/543103131.db2.gz 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/nfs/dbraw/zinc/26/22/69/413262269.db2.gz WXTDNEZBAGUQFB-LBPRGKRZSA-N 1 1 250.390 2.571 10 0 CFAEMO CCCC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000368432656 156484177 /nfs/dbraw/zinc/48/41/77/156484177.db2.gz KIAOHINMLOEMSY-BRWVUGGUSA-N 1 1 286.419 2.813 10 0 CFAEMO FC(F)(F)[C@H]1CCC[C@H](C[NH2+]Cc2ccn[nH]2)C1 ZINC000344637134 162087381 /nfs/dbraw/zinc/08/73/81/162087381.db2.gz PDEXYMFWQZJCGR-UWVGGRQHSA-N 1 1 261.291 2.868 10 0 CFAEMO CCOC(=O)[C@]1(c2ccccc2)CCC[N@@H+](C)C[C@@H]1C ZINC000005857177 170147687 /nfs/dbraw/zinc/14/76/87/170147687.db2.gz BOSULDNQDJLKKL-WMLDXEAASA-N 1 1 275.392 2.849 10 0 in-man CFAEMO C[N@H+]1CCCC2(OCCO2)[C@H]1Cc1cccc2[nH]ccc21 ZINC000005966363 170163464 /nfs/dbraw/zinc/16/34/64/170163464.db2.gz RNISEYQYMOHCFN-MRXNPFEDSA-N 1 1 286.375 2.548 10 0 CFAEMO Cc1ccc(Oc2cccc3[nH+]c(N)nc(N)c32)cc1 ZINC000008656789 170344180 /nfs/dbraw/zinc/34/41/80/170344180.db2.gz BYDBBHVBHPKCHX-UHFFFAOYSA-N 1 1 266.304 2.895 10 0 CFAEMO CC(C)[C@H]1CC[C@H](C)C[C@@H]1[NH2+]CCCN1CCN(C)CC1 ZINC000020128351 171014640 /nfs/dbraw/zinc/01/46/40/171014640.db2.gz MRMPTFGZKCWEEH-KSZLIROESA-N 1 1 295.515 2.674 10 0 CFAEMO CN1CCN(CCC[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000020128338 171014815 /nfs/dbraw/zinc/01/48/15/171014815.db2.gz QFSGRQMINJWKSV-IRXDYDNUSA-N 1 1 295.515 2.818 10 0 CFAEMO CN(C)C[C@@H]([NH2+]Cc1cccc(O)c1)c1ccccc1 ZINC000020129404 171017852 /nfs/dbraw/zinc/01/78/52/171017852.db2.gz UGLNSBMQUUDDES-QGZVFWFLSA-N 1 1 270.376 2.785 10 0 CFAEMO COc1cccc([C@@H](C)NC[C@H](C(C)C)[NH+](C)C)c1 ZINC000020145681 171030802 /nfs/dbraw/zinc/03/08/02/171030802.db2.gz HLXNTIZNISORTI-CZUORRHYSA-N 1 1 264.413 2.932 10 0 CFAEMO C[N@H+](Cc1cccc(F)c1)C1(CN)CCCCC1 ZINC000020226850 171091509 /nfs/dbraw/zinc/09/15/09/171091509.db2.gz GVZZETJYDRHDLH-UHFFFAOYSA-N 1 1 250.361 2.919 10 0 CFAEMO C[N@@H+](Cc1cccc(F)c1)C1(CN)CCCCC1 ZINC000020226850 171091510 /nfs/dbraw/zinc/09/15/10/171091510.db2.gz GVZZETJYDRHDLH-UHFFFAOYSA-N 1 1 250.361 2.919 10 0 CFAEMO CCCOc1cccc([C@@H](CN)[N@H+](C)CCC)c1 ZINC000020226614 171092153 /nfs/dbraw/zinc/09/21/53/171092153.db2.gz CCOSFHNBOZEJOY-OAHLLOKOSA-N 1 1 250.386 2.817 10 0 CFAEMO CCCOc1cccc([C@@H](CN)[N@@H+](C)CCC)c1 ZINC000020226614 171092156 /nfs/dbraw/zinc/09/21/56/171092156.db2.gz CCOSFHNBOZEJOY-OAHLLOKOSA-N 1 1 250.386 2.817 10 0 CFAEMO COc1ccc([C@H](C[NH3+])N2CCCCCCC2)cc1 ZINC000020265264 171122875 /nfs/dbraw/zinc/12/28/75/171122875.db2.gz QLYHOTVOTWDCFT-INIZCTEOSA-N 1 1 262.397 2.961 10 0 CFAEMO COc1ccc([C@H]([NH3+])CN2CCCCCCC2)cc1 ZINC000020265677 171123073 /nfs/dbraw/zinc/12/30/73/171123073.db2.gz NNOREVIBVNCOOG-MRXNPFEDSA-N 1 1 262.397 2.961 10 0 CFAEMO C[N@H+]1CCCC[C@@H]1COc1ccc(N)cc1Cl ZINC000020351972 171156160 /nfs/dbraw/zinc/15/61/60/171156160.db2.gz NPAOLBUJLVZCIR-LLVKDONJSA-N 1 1 254.761 2.785 10 0 CFAEMO CCC[C@@H](C)NC(=O)[C@@H](C)NCCC[N@H+]1CCCC[C@@H]1C ZINC000020367488 171165771 /nfs/dbraw/zinc/16/57/71/171165771.db2.gz IYWRQGYGZUPIFY-OWCLPIDISA-N 1 1 297.487 2.534 10 0 CFAEMO Cc1n[nH]c(CCC[N@H+]2CC[C@H](C3CCCCC3)C2)n1 ZINC000020500860 171227311 /nfs/dbraw/zinc/22/73/11/171227311.db2.gz AYIVKRZNYLVQLK-HNNXBMFYSA-N 1 1 276.428 2.948 10 0 CFAEMO Cc1nc(CCC[N@@H+]2CC[C@H](C3CCCCC3)C2)n[nH]1 ZINC000020500860 171227312 /nfs/dbraw/zinc/22/73/12/171227312.db2.gz AYIVKRZNYLVQLK-HNNXBMFYSA-N 1 1 276.428 2.948 10 0 CFAEMO Cc1nc(CCC[N@H+]2CC[C@H](C3CCCCC3)C2)n[nH]1 ZINC000020500860 171227314 /nfs/dbraw/zinc/22/73/14/171227314.db2.gz AYIVKRZNYLVQLK-HNNXBMFYSA-N 1 1 276.428 2.948 10 0 CFAEMO Cc1nnc(CCC[N@@H+]2CC[C@H](C3CCCCC3)C2)[nH]1 ZINC000020500860 171227315 /nfs/dbraw/zinc/22/73/15/171227315.db2.gz AYIVKRZNYLVQLK-HNNXBMFYSA-N 1 1 276.428 2.948 10 0 CFAEMO Cc1nnc(CCC[N@H+]2CC[C@H](C3CCCCC3)C2)[nH]1 ZINC000020500860 171227317 /nfs/dbraw/zinc/22/73/17/171227317.db2.gz AYIVKRZNYLVQLK-HNNXBMFYSA-N 1 1 276.428 2.948 10 0 CFAEMO C[C@@H]1CCCC[N@H+]1CCCNC1N=NC(=S)S1 ZINC000020581671 171257674 /nfs/dbraw/zinc/25/76/74/171257674.db2.gz CVWQKXGOQRTPCD-SECBINFHSA-N 1 1 272.443 2.503 10 0 CFAEMO CCC[N@H+]1CC=C(c2cccc(S(C)(=O)=O)c2)CC1 ZINC000022063706 171351548 /nfs/dbraw/zinc/35/15/48/171351548.db2.gz YDZAGNOUGPIQDK-UHFFFAOYSA-N 1 1 279.405 2.589 10 0 in-vitro CFAEMO CCC[N@@H+]1CC=C(c2cccc(S(C)(=O)=O)c2)CC1 ZINC000022063706 171351549 /nfs/dbraw/zinc/35/15/49/171351549.db2.gz YDZAGNOUGPIQDK-UHFFFAOYSA-N 1 1 279.405 2.589 10 0 in-vitro CFAEMO Cc1cc(N)ccc1NC(=O)CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022167863 171366829 /nfs/dbraw/zinc/36/68/29/171366829.db2.gz BBEOMZNLVVYMSW-BETUJISGSA-N 1 1 289.423 2.884 10 0 CFAEMO COc1ccc([C@@H](CN)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000022210128 171373083 /nfs/dbraw/zinc/37/30/83/171373083.db2.gz VSTIECHUWGIMER-DVOMOZLQSA-N 1 1 262.397 2.673 10 0 CFAEMO COc1ccc([C@@H](C[NH3+])N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000022210128 171373084 /nfs/dbraw/zinc/37/30/84/171373084.db2.gz VSTIECHUWGIMER-DVOMOZLQSA-N 1 1 262.397 2.673 10 0 CFAEMO C[C@@H]([NH2+][C@@H](C)c1ccco1)C(=O)N1CCCCCC1 ZINC000035139777 172008307 /nfs/dbraw/zinc/00/83/07/172008307.db2.gz CONXCXREIMQFIE-QWHCGFSZSA-N 1 1 264.369 2.721 10 0 CFAEMO COC(=O)c1occc1C[NH2+][C@H]1CCc2ccccc21 ZINC000035224443 172068616 /nfs/dbraw/zinc/06/86/16/172068616.db2.gz SWAIUQDDWDLCFQ-AWEZNQCLSA-N 1 1 271.316 2.843 10 0 CFAEMO C[NH2+][C@@H](c1cnn(C)c1)c1cc(F)ccc1Br ZINC000035500330 172234336 /nfs/dbraw/zinc/23/43/36/172234336.db2.gz ICYKFLPNNHVSDY-LBPRGKRZSA-N 1 1 298.159 2.631 10 0 CFAEMO CC[C@H](CC(F)F)C[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000660805883 413580011 /nfs/dbraw/zinc/58/00/11/413580011.db2.gz FTCJWOPMCLSEJI-VOAKCMCISA-N 1 1 261.356 2.761 10 0 CFAEMO Cc1nc(CN[C@@H](C)C[N@@H+](C)Cc2ccccc2)[nH]c1C ZINC000657429391 413595044 /nfs/dbraw/zinc/59/50/44/413595044.db2.gz SKRDPVCZZOGPEZ-ZDUSSCGKSA-N 1 1 286.423 2.637 10 0 CFAEMO Cc1nc(C[NH2+][C@@H](C)CN(C)Cc2ccccc2)[nH]c1C ZINC000657429391 413595059 /nfs/dbraw/zinc/59/50/59/413595059.db2.gz SKRDPVCZZOGPEZ-ZDUSSCGKSA-N 1 1 286.423 2.637 10 0 CFAEMO Nc1nc2cc(Cl)ccc2n1[C@H]1C[NH+]2CCC1CC2 ZINC000036889648 172784542 /nfs/dbraw/zinc/78/45/42/172784542.db2.gz ZWYDVIARTWECOL-ZDUSSCGKSA-N 1 1 276.771 2.539 10 0 CFAEMO C[C@H](CO)[C@@H]1CCCC[N@H+]1C[C@@H]1Cc2ccccc21 ZINC000661445157 413992194 /nfs/dbraw/zinc/99/21/94/413992194.db2.gz ZOMFXXDABJSHAL-KMFMINBZSA-N 1 1 259.393 2.809 10 0 CFAEMO CC[N@@H+](C)CCC(=O)Nc1c(N)cc(Cl)cc1Cl ZINC000037078149 172935115 /nfs/dbraw/zinc/93/51/15/172935115.db2.gz VESLIPZSQBOPQX-UHFFFAOYSA-N 1 1 290.194 2.856 10 0 CFAEMO Cc1ccc([C@@H](CN)[N@@H+](C)[C@@H]2CCSC2)cc1C ZINC000037180087 173012901 /nfs/dbraw/zinc/01/29/01/173012901.db2.gz JRLSRODZKRGMJM-HUUCEWRRSA-N 1 1 264.438 2.741 10 0 CFAEMO Cc1ccc([C@@H](CN)[N@H+](C)[C@@H]2CCSC2)cc1C ZINC000037180087 173012903 /nfs/dbraw/zinc/01/29/03/173012903.db2.gz JRLSRODZKRGMJM-HUUCEWRRSA-N 1 1 264.438 2.741 10 0 CFAEMO C[C@@H]([NH2+]CCc1ccc(F)cc1)[C@H]1CCCN(C)C1 ZINC000037209102 173030617 /nfs/dbraw/zinc/03/06/17/173030617.db2.gz ADESZHYKLIJJDG-HIFRSBDPSA-N 1 1 264.388 2.688 10 0 CFAEMO C[NH+](C)C(C)(C)CN[C@H]1CSCc2ccccc21 ZINC000037220584 173038648 /nfs/dbraw/zinc/03/86/48/173038648.db2.gz KXDLFUUJTCOAKL-AWEZNQCLSA-N 1 1 264.438 2.904 10 0 CFAEMO CC[N@@H+]1CCC[C@H]([C@@H](C)N[C@@H](C)c2cccnc2)C1 ZINC000037220831 173039851 /nfs/dbraw/zinc/03/98/51/173039851.db2.gz HNIQDQPCAOJFPA-LZWOXQAQSA-N 1 1 261.413 2.853 10 0 CFAEMO CC[N@H+]1CCC[C@H]([C@@H](C)N[C@@H](C)c2cccnc2)C1 ZINC000037220831 173039853 /nfs/dbraw/zinc/03/98/53/173039853.db2.gz HNIQDQPCAOJFPA-LZWOXQAQSA-N 1 1 261.413 2.853 10 0 CFAEMO CSCc1ccc(C[NH2+]C[C@@H](C(C)C)N(C)C)o1 ZINC000037233570 173052084 /nfs/dbraw/zinc/05/20/84/173052084.db2.gz ZIHCJHUZHLNMBQ-AWEZNQCLSA-N 1 1 270.442 2.818 10 0 CFAEMO CSCc1ccc(C[NH2+]C[C@H](C(C)C)N(C)C)o1 ZINC000037233567 173052606 /nfs/dbraw/zinc/05/26/06/173052606.db2.gz ZIHCJHUZHLNMBQ-CQSZACIVSA-N 1 1 270.442 2.818 10 0 CFAEMO CCCN(CCC)[C@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000037325612 173126686 /nfs/dbraw/zinc/12/66/86/173126686.db2.gz UCDRNPMIJMGFRK-CYBMUJFWSA-N 1 1 264.369 2.537 10 0 CFAEMO C[N@H+](CC(=O)c1cc(F)ccc1O)C1CCCCC1 ZINC000037333218 173134311 /nfs/dbraw/zinc/13/43/11/173134311.db2.gz INIZIWXEPVOZNB-UHFFFAOYSA-N 1 1 265.328 2.979 10 0 CFAEMO C[N@@H+](CC(=O)c1cc(F)ccc1O)C1CCCCC1 ZINC000037333218 173134313 /nfs/dbraw/zinc/13/43/13/173134313.db2.gz INIZIWXEPVOZNB-UHFFFAOYSA-N 1 1 265.328 2.979 10 0 CFAEMO CC[N@H+](CC(=O)Cc1ccc(F)cc1)CC(C)C ZINC000037336317 173136210 /nfs/dbraw/zinc/13/62/10/173136210.db2.gz NWHGGEKCGYXLIQ-UHFFFAOYSA-N 1 1 251.345 2.915 10 0 CFAEMO CC[N@H+](CC(=O)c1ccc(OC)c(F)c1)CC(C)C ZINC000037336355 173136507 /nfs/dbraw/zinc/13/65/07/173136507.db2.gz VBFUDKLVRZOELP-UHFFFAOYSA-N 1 1 267.344 2.995 10 0 CFAEMO CC[N@H+](CC(=O)c1cc(C)n(C)c1C)CC(C)C ZINC000037336412 173137781 /nfs/dbraw/zinc/13/77/81/173137781.db2.gz GMPPALOKRBENGI-UHFFFAOYSA-N 1 1 250.386 2.803 10 0 CFAEMO COC1CC[NH+]([C@H](C)C(=O)c2ccc(C)cc2)CC1 ZINC000037337387 173138144 /nfs/dbraw/zinc/13/81/44/173138144.db2.gz ZUDQBQPRXAOCSJ-CYBMUJFWSA-N 1 1 261.365 2.677 10 0 CFAEMO CC[C@@H](C(=O)c1ccccc1)[NH+]1CCC(OC)CC1 ZINC000037337307 173138599 /nfs/dbraw/zinc/13/85/99/173138599.db2.gz PIPUJKDHMRPLMC-HNNXBMFYSA-N 1 1 261.365 2.759 10 0 CFAEMO CC(C)[C@H](C[NH3+])N1CCC(Cc2ccccc2)CC1 ZINC000037390762 173173770 /nfs/dbraw/zinc/17/37/70/173173770.db2.gz FCWUSJHWNNHBIQ-KRWDZBQOSA-N 1 1 260.425 2.924 10 0 CFAEMO Nc1ccc(Cl)c(C[N@H+]2CCCC[C@@H]2CCO)c1 ZINC000037403039 173179753 /nfs/dbraw/zinc/17/97/53/173179753.db2.gz YWYZDMXOLSRVSV-CYBMUJFWSA-N 1 1 268.788 2.659 10 0 CFAEMO CC[C@@H](C)C[N@H+](C)CC(=O)c1cc(F)ccc1OC ZINC000037415154 173191657 /nfs/dbraw/zinc/19/16/57/173191657.db2.gz BMIAXSIMVKDZON-LLVKDONJSA-N 1 1 267.344 2.995 10 0 CFAEMO CC[C@@H](C)C[N@@H+](C)CC(=O)c1cc(F)ccc1OC ZINC000037415154 173191659 /nfs/dbraw/zinc/19/16/59/173191659.db2.gz BMIAXSIMVKDZON-LLVKDONJSA-N 1 1 267.344 2.995 10 0 CFAEMO [NH3+][C@@H](Cc1ccccc1)c1nc2ccc(F)cc2[nH]1 ZINC000037439121 173209356 /nfs/dbraw/zinc/20/93/56/173209356.db2.gz DFYQWNVTLOOSIO-LBPRGKRZSA-N 1 1 255.296 2.945 10 0 CFAEMO CC(C)[N@@H+](C)Cc1ccc(N)cc1Br ZINC000037460445 173223906 /nfs/dbraw/zinc/22/39/06/173223906.db2.gz ZVNHSCXDMOORQX-UHFFFAOYSA-N 1 1 257.175 2.872 10 0 CFAEMO CCCCOC[C@H](O)C[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662042950 414379472 /nfs/dbraw/zinc/37/94/72/414379472.db2.gz HRKLQDOBEHQHBV-HZPDHXFCSA-N 1 1 269.429 2.676 10 0 CFAEMO C[C@]([NH2+]CC1CC1)(C(N)=O)c1cc(Cl)ccc1Cl ZINC000037952181 173894584 /nfs/dbraw/zinc/89/45/84/173894584.db2.gz FSHINKMHFPXFMS-CYBMUJFWSA-N 1 1 287.190 2.694 10 0 CFAEMO CC[C@@H]1CN2CCCC[C@@H]2C[N@H+]1C[C@H](OC)C1CCC1 ZINC000659995073 414645312 /nfs/dbraw/zinc/64/53/12/414645312.db2.gz QOHNCJXROAQRFI-ZACQAIPSSA-N 1 1 280.456 2.750 10 0 CFAEMO CCC[NH+](CCC)[C@H](CN)c1cc(OC)ccc1OC ZINC000038827639 174156948 /nfs/dbraw/zinc/15/69/48/174156948.db2.gz XFEIAWLUROWROA-OAHLLOKOSA-N 1 1 280.412 2.826 10 0 CFAEMO CCCN(CCC)[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000038860023 174158055 /nfs/dbraw/zinc/15/80/55/174158055.db2.gz IICFCWNGBOTEAV-HNNXBMFYSA-N 1 1 250.386 2.817 10 0 CFAEMO CC[N@H+]1CCC[C@@H](Nc2nncc3ccccc32)C1 ZINC000040503160 174300186 /nfs/dbraw/zinc/30/01/86/174300186.db2.gz CLTKBUVRUNPMEX-CYBMUJFWSA-N 1 1 256.353 2.526 10 0 CFAEMO CCCCOCC[NH2+][C@H](c1cccs1)c1nccn1C ZINC000040506841 174302153 /nfs/dbraw/zinc/30/21/53/174302153.db2.gz AMYFGRDWBHLCRW-CQSZACIVSA-N 1 1 293.436 2.977 10 0 CFAEMO CC[C@H](C)N(C)c1[nH+]c(C)cc(C)c1C(N)=S ZINC000040510235 174303787 /nfs/dbraw/zinc/30/37/87/174303787.db2.gz SADCGSMBOJZYML-JTQLQIEISA-N 1 1 251.399 2.567 10 0 CFAEMO Cc1nc([C@@H](C)NC[C@H]2CC[N@H+](C(C)C)C2)cs1 ZINC000040622864 174356043 /nfs/dbraw/zinc/35/60/43/174356043.db2.gz LDYRPKLOJMFKGW-DGCLKSJQSA-N 1 1 267.442 2.832 10 0 CFAEMO CC(C)Oc1cccc([C@@H](CN)[N@H+](C)C(C)C)c1 ZINC000040640908 174364244 /nfs/dbraw/zinc/36/42/44/174364244.db2.gz FIIPUZMQQVZLRM-OAHLLOKOSA-N 1 1 250.386 2.814 10 0 CFAEMO CC(C)Oc1cccc([C@@H](CN)[N@@H+](C)C(C)C)c1 ZINC000040640908 174364245 /nfs/dbraw/zinc/36/42/45/174364245.db2.gz FIIPUZMQQVZLRM-OAHLLOKOSA-N 1 1 250.386 2.814 10 0 CFAEMO CCOC1CCN([C@](C)(C[NH3+])CCC(C)C)CC1 ZINC000040678755 174374566 /nfs/dbraw/zinc/37/45/66/174374566.db2.gz MGGFEFGYZFBRCP-HNNXBMFYSA-N 1 1 256.434 2.641 10 0 CFAEMO CCOC1CCN(C2(C[NH3+])CCCCCC2)CC1 ZINC000040678829 174374831 /nfs/dbraw/zinc/37/48/31/174374831.db2.gz WCKPTETYQPGWBJ-UHFFFAOYSA-N 1 1 254.418 2.539 10 0 CFAEMO CCOC1CC[NH+]([C@H](C)[C@H](N)c2ccc(OC)cc2)CC1 ZINC000040689271 174376538 /nfs/dbraw/zinc/37/65/38/174376538.db2.gz HOGUMBBFVNDZCX-DYVFJYSZSA-N 1 1 292.423 2.584 10 0 CFAEMO COc1ccc(CC[C@@](C)(CN)[N@H+]2CC[C@@H](C)C2)cc1 ZINC000040717138 174384332 /nfs/dbraw/zinc/38/43/32/174384332.db2.gz AGANNIPFKLUVRU-PBHICJAKSA-N 1 1 276.424 2.687 10 0 CFAEMO COc1ccc(CC[C@@](C)(C[NH3+])N2CC[C@@H](C)C2)cc1 ZINC000040717138 174384334 /nfs/dbraw/zinc/38/43/34/174384334.db2.gz AGANNIPFKLUVRU-PBHICJAKSA-N 1 1 276.424 2.687 10 0 CFAEMO C[C@H]1CC[N@@H+](CCCC(=O)Nc2cc(Cl)ccc2N)C1 ZINC000040716877 174384488 /nfs/dbraw/zinc/38/44/88/174384488.db2.gz ZWYCTJLNTMONIS-NSHDSACASA-N 1 1 295.814 2.983 10 0 CFAEMO Cc1ccc(CNc2[nH+]cnc(N3CCCC3)c2N)cc1 ZINC000040724420 174386545 /nfs/dbraw/zinc/38/65/45/174386545.db2.gz LEIMRXFJJAPBOL-UHFFFAOYSA-N 1 1 283.379 2.580 10 0 CFAEMO Nc1c(NCc2ccco2)[nH+]cnc1N1CCCCCC1 ZINC000040725475 174387006 /nfs/dbraw/zinc/38/70/06/174387006.db2.gz UNHBLXLYPQTEGF-UHFFFAOYSA-N 1 1 287.367 2.644 10 0 CFAEMO [NH3+]C1C[C@H]2CC[C@@H](C1)N2CCOc1ccc(Cl)cc1 ZINC000040750134 174395388 /nfs/dbraw/zinc/39/53/88/174395388.db2.gz VLPZGDHQUZKETR-AGUYFDCRSA-N 1 1 280.799 2.673 10 0 CFAEMO Cc1ncsc1[C@@H](C)NCC[NH+]1CCCCCC1 ZINC000040767936 174398363 /nfs/dbraw/zinc/39/83/63/174398363.db2.gz AUDJGGXXVCEKHZ-GFCCVEGCSA-N 1 1 267.442 2.978 10 0 CFAEMO CCn1ccnc1[C@@H]([NH3+])c1cc(Cl)ccc1F ZINC000041109747 174481380 /nfs/dbraw/zinc/48/13/80/174481380.db2.gz ZJKCDCWPQQBYKC-NSHDSACASA-N 1 1 253.708 2.744 10 0 CFAEMO CC[C@@H](C)[N@@H+](CCOC)Cc1ccccc1C(N)=S ZINC000042583143 174806687 /nfs/dbraw/zinc/80/66/87/174806687.db2.gz ZIEOCTXBFQXYFU-GFCCVEGCSA-N 1 1 280.437 2.568 10 0 CFAEMO CC[C@H]([NH3+])[C@H](c1ccccc1C)N1CCN(C2CC2)CC1 ZINC000043036474 174950960 /nfs/dbraw/zinc/95/09/60/174950960.db2.gz JCDJCQHDISFDHB-ROUUACIJSA-N 1 1 287.451 2.553 10 0 CFAEMO Cc1cccc([C@@H](CN)[N@@H+](C)[C@@H]2CCSC2)c1C ZINC000043314607 175004847 /nfs/dbraw/zinc/00/48/47/175004847.db2.gz DAJWRRLKQOKOFK-UKRRQHHQSA-N 1 1 264.438 2.741 10 0 CFAEMO Cc1cccc([C@@H](CN)[N@H+](C)[C@@H]2CCSC2)c1C ZINC000043314607 175004848 /nfs/dbraw/zinc/00/48/48/175004848.db2.gz DAJWRRLKQOKOFK-UKRRQHHQSA-N 1 1 264.438 2.741 10 0 CFAEMO C[C@H](N)[C@@H](c1ccccn1)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000043339525 175013767 /nfs/dbraw/zinc/01/37/67/175013767.db2.gz TUISOYPMKJNRKA-MPTYRVRUSA-N 1 1 273.424 2.982 10 0 CFAEMO C[C@H](N)[C@@H](c1ccccn1)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000043339525 175013768 /nfs/dbraw/zinc/01/37/68/175013768.db2.gz TUISOYPMKJNRKA-MPTYRVRUSA-N 1 1 273.424 2.982 10 0 CFAEMO CCC(CC)[N@@H+](CCOC)[C@@H](c1cccnc1)[C@H](N)CC ZINC000043348483 175018831 /nfs/dbraw/zinc/01/88/31/175018831.db2.gz ORAKNGQSFAPEJT-SJORKVTESA-N 1 1 293.455 2.997 10 0 CFAEMO CCC(CC)[N@H+](CCOC)[C@@H](c1cccnc1)[C@H](N)CC ZINC000043348483 175018833 /nfs/dbraw/zinc/01/88/33/175018833.db2.gz ORAKNGQSFAPEJT-SJORKVTESA-N 1 1 293.455 2.997 10 0 CFAEMO C[C@H](N)[C@@H](c1ccncc1)[N@H+](C)CC1CCCCC1 ZINC000043354247 175021287 /nfs/dbraw/zinc/02/12/87/175021287.db2.gz UUIBUXYRMQRREL-BBRMVZONSA-N 1 1 261.413 2.982 10 0 CFAEMO C[C@H](N)[C@@H](c1ccncc1)[N@@H+](C)CC1CCCCC1 ZINC000043354247 175021289 /nfs/dbraw/zinc/02/12/89/175021289.db2.gz UUIBUXYRMQRREL-BBRMVZONSA-N 1 1 261.413 2.982 10 0 CFAEMO C[N@@H+](CCC(N)=S)Cc1sccc1Br ZINC000043675544 175088557 /nfs/dbraw/zinc/08/85/57/175088557.db2.gz IIYHTYWBFMBTGF-UHFFFAOYSA-N 1 1 293.255 2.619 10 0 CFAEMO COCC[N@@H+](CC(C)C)[C@H](CN)c1cc(C)cc(C)c1 ZINC000043394450 175035048 /nfs/dbraw/zinc/03/50/48/175035048.db2.gz OKSGLXUWDNZJST-QGZVFWFLSA-N 1 1 278.440 2.908 10 0 CFAEMO COCCN(CC(C)C)[C@H](C[NH3+])c1cc(C)cc(C)c1 ZINC000043394450 175035053 /nfs/dbraw/zinc/03/50/53/175035053.db2.gz OKSGLXUWDNZJST-QGZVFWFLSA-N 1 1 278.440 2.908 10 0 CFAEMO CC(C)C[N@@H+](CCC(N)=S)Cc1ccsc1 ZINC000043418207 175038479 /nfs/dbraw/zinc/03/84/79/175038479.db2.gz AEIHMCUFCNBIIS-UHFFFAOYSA-N 1 1 256.440 2.882 10 0 CFAEMO O=C(CCC[N@@H+]1CCO[C@@H]2CCC[C@@H]21)c1cccs1 ZINC000043426173 175040898 /nfs/dbraw/zinc/04/08/98/175040898.db2.gz CODAFKKPITWZKG-GXTWGEPZSA-N 1 1 279.405 2.964 10 0 CFAEMO O=C(CCC[N@H+]1CCO[C@@H]2CCC[C@@H]21)c1cccs1 ZINC000043426173 175040900 /nfs/dbraw/zinc/04/09/00/175040900.db2.gz CODAFKKPITWZKG-GXTWGEPZSA-N 1 1 279.405 2.964 10 0 CFAEMO CC(C)[N@@H+]1CC[C@H](CNCc2ccc(O)c(Cl)c2)C1 ZINC000043488408 175056985 /nfs/dbraw/zinc/05/69/85/175056985.db2.gz UEWPWHVPYBPHRC-CYBMUJFWSA-N 1 1 282.815 2.866 10 0 CFAEMO CC(C)[N@H+]1CC[C@H](CNCc2ccc(O)c(Cl)c2)C1 ZINC000043488408 175056988 /nfs/dbraw/zinc/05/69/88/175056988.db2.gz UEWPWHVPYBPHRC-CYBMUJFWSA-N 1 1 282.815 2.866 10 0 CFAEMO CC[C@@H](C(N)=S)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000043540086 175063919 /nfs/dbraw/zinc/06/39/19/175063919.db2.gz UKQQKHUDZWGGCT-NSHDSACASA-N 1 1 256.802 2.837 10 0 CFAEMO CC[C@H](C(N)=S)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000043540079 175063937 /nfs/dbraw/zinc/06/39/37/175063937.db2.gz NEJOGUPECCYWAT-LLVKDONJSA-N 1 1 256.802 2.837 10 0 CFAEMO CCOc1ccc2nc(S[C@H](CC)C[NH3+])[nH]c2c1 ZINC000043542431 175064035 /nfs/dbraw/zinc/06/40/35/175064035.db2.gz RYSOLYKJAPAZHM-SNVBAGLBSA-N 1 1 265.382 2.791 10 0 CFAEMO CCOC(=O)[C@H](C)C[N@@H+](CC)Cc1cccs1 ZINC000043615429 175079677 /nfs/dbraw/zinc/07/96/77/175079677.db2.gz JLHVCTYOYGNLME-LLVKDONJSA-N 1 1 255.383 2.769 10 0 CFAEMO CCOC(=O)[C@H](C)C[N@@H+](C)Cc1ccccc1Cl ZINC000043619298 175080102 /nfs/dbraw/zinc/08/01/02/175080102.db2.gz XUXRMBWDDWOGCE-LLVKDONJSA-N 1 1 269.772 2.971 10 0 CFAEMO CCOC(=O)[C@H](C)C[N@@H+](C)Cc1cccc(Cl)c1 ZINC000043619296 175080424 /nfs/dbraw/zinc/08/04/24/175080424.db2.gz XSAWWZIZTOQRGG-LLVKDONJSA-N 1 1 269.772 2.971 10 0 CFAEMO CCOC(=O)[C@@H](C)C[N@@H+](Cc1cccs1)C1CC1 ZINC000043618793 175080474 /nfs/dbraw/zinc/08/04/74/175080474.db2.gz KFXAMYMRYNASQL-NSHDSACASA-N 1 1 267.394 2.912 10 0 CFAEMO CN[C@H]1c2ccccc2C[C@H]1[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000043804620 175107676 /nfs/dbraw/zinc/10/76/76/175107676.db2.gz KKLQXTJECMXGBY-GFOFROLCSA-N 1 1 258.409 2.850 10 0 CFAEMO C[NH2+][C@H]1c2ccccc2C[C@H]1N1C[C@H](C)C[C@H](C)C1 ZINC000043804620 175107677 /nfs/dbraw/zinc/10/76/77/175107677.db2.gz KKLQXTJECMXGBY-GFOFROLCSA-N 1 1 258.409 2.850 10 0 CFAEMO CN[C@@H](C[NH+]1CCC(C)CC1)c1ccccc1OC ZINC000043806337 175108061 /nfs/dbraw/zinc/10/80/61/175108061.db2.gz SYSLTOGXRBKVET-HNNXBMFYSA-N 1 1 262.397 2.688 10 0 CFAEMO CCN1CCN(C[C@@H]([NH2+]C)c2ccc(C(C)C)cc2)CC1 ZINC000043805891 175108682 /nfs/dbraw/zinc/10/86/82/175108682.db2.gz ZNOOSBIPDOWSBF-GOSISDBHSA-N 1 1 289.467 2.708 10 0 CFAEMO CN[C@@H](C[NH+]1CCCCCC1)c1ccc(OC)cc1 ZINC000043812035 175110826 /nfs/dbraw/zinc/11/08/26/175110826.db2.gz CEFGBCAQWAFJCI-INIZCTEOSA-N 1 1 262.397 2.832 10 0 CFAEMO CCCN(CCC)C[C@H]([NH2+]C)c1ccc2c(c1)OCO2 ZINC000043814665 175111539 /nfs/dbraw/zinc/11/15/39/175111539.db2.gz PBBSXAXOMTVBIJ-AWEZNQCLSA-N 1 1 278.396 2.798 10 0 CFAEMO CCN[C@H](C[N@H+](C)C(C)C)c1ccc2c(c1)OCCCO2 ZINC000043813502 175111552 /nfs/dbraw/zinc/11/15/52/175111552.db2.gz VUACWHNMHRNVNY-OAHLLOKOSA-N 1 1 292.423 2.839 10 0 CFAEMO CCN[C@H](C[N@@H+](C)C(C)C)c1ccc2c(c1)OCCCO2 ZINC000043813502 175111553 /nfs/dbraw/zinc/11/15/53/175111553.db2.gz VUACWHNMHRNVNY-OAHLLOKOSA-N 1 1 292.423 2.839 10 0 CFAEMO CCC[NH+](CCC)[C@@H]1COc2ccccc2[C@H]1NC ZINC000043814721 175111904 /nfs/dbraw/zinc/11/19/04/175111904.db2.gz NWHCEIOYYYBTML-GDBMZVCRSA-N 1 1 262.397 2.830 10 0 CFAEMO CCCC[N@H+](C)C[C@H](NC)c1ccccc1OC ZINC000043816694 175112361 /nfs/dbraw/zinc/11/23/61/175112361.db2.gz BXLFJSCESXKIOO-AWEZNQCLSA-N 1 1 250.386 2.688 10 0 CFAEMO CCCC[N@@H+](C)C[C@H](NC)c1ccccc1OC ZINC000043816694 175112362 /nfs/dbraw/zinc/11/23/62/175112362.db2.gz BXLFJSCESXKIOO-AWEZNQCLSA-N 1 1 250.386 2.688 10 0 CFAEMO CN[C@@H](C[N@@H+](C)C1CCCC1)c1cc(OC)ccc1OC ZINC000043883653 175116111 /nfs/dbraw/zinc/11/61/11/175116111.db2.gz GVBMPBZNQFDEFP-INIZCTEOSA-N 1 1 292.423 2.839 10 0 CFAEMO C[NH2+][C@@H](CN(C)C1CCCC1)c1cc(OC)ccc1OC ZINC000043883653 175116112 /nfs/dbraw/zinc/11/61/12/175116112.db2.gz GVBMPBZNQFDEFP-INIZCTEOSA-N 1 1 292.423 2.839 10 0 CFAEMO CCC[N@H+](C[C@@H](NC)c1ccccc1OC)C1CC1 ZINC000043885359 175116773 /nfs/dbraw/zinc/11/67/73/175116773.db2.gz UPSKVEFXFIBCMD-OAHLLOKOSA-N 1 1 262.397 2.830 10 0 CFAEMO CCC[N@@H+](C[C@@H](NC)c1ccccc1OC)C1CC1 ZINC000043885359 175116774 /nfs/dbraw/zinc/11/67/74/175116774.db2.gz UPSKVEFXFIBCMD-OAHLLOKOSA-N 1 1 262.397 2.830 10 0 CFAEMO CCC[NH2+][C@H]1CCC2(C[C@@H]1N(CCC)C(C)C)OCCO2 ZINC000043885284 175116788 /nfs/dbraw/zinc/11/67/88/175116788.db2.gz OMOLUNNVKUHNRP-HOTGVXAUSA-N 1 1 298.471 2.771 10 0 CFAEMO CCC[N@H+](CC)C[C@@H](NC)c1ccccc1OC ZINC000043884320 175116913 /nfs/dbraw/zinc/11/69/13/175116913.db2.gz GTDRIIYHFBZEHB-CQSZACIVSA-N 1 1 250.386 2.688 10 0 CFAEMO CCC[N@@H+](CC)C[C@@H](NC)c1ccccc1OC ZINC000043884320 175116914 /nfs/dbraw/zinc/11/69/14/175116914.db2.gz GTDRIIYHFBZEHB-CQSZACIVSA-N 1 1 250.386 2.688 10 0 CFAEMO CCC[N@H+](C)C[C@@H](NCC)c1ccc(OC)cc1OC ZINC000043886038 175116949 /nfs/dbraw/zinc/11/69/49/175116949.db2.gz GPHCPVRCGQTQMP-OAHLLOKOSA-N 1 1 280.412 2.696 10 0 CFAEMO CCC[N@@H+](C)C[C@@H](NCC)c1ccc(OC)cc1OC ZINC000043886038 175116951 /nfs/dbraw/zinc/11/69/51/175116951.db2.gz GPHCPVRCGQTQMP-OAHLLOKOSA-N 1 1 280.412 2.696 10 0 CFAEMO CCC[N@H+](CC)C[C@@H](NCC)c1ccc2c(c1)OCO2 ZINC000043884584 175116979 /nfs/dbraw/zinc/11/69/79/175116979.db2.gz BMJHMKFTOMISJX-CQSZACIVSA-N 1 1 278.396 2.798 10 0 CFAEMO CCC[N@@H+](CC)C[C@@H](NCC)c1ccc2c(c1)OCO2 ZINC000043884584 175116981 /nfs/dbraw/zinc/11/69/81/175116981.db2.gz BMJHMKFTOMISJX-CQSZACIVSA-N 1 1 278.396 2.798 10 0 CFAEMO CCC[N@@H+](C[C@@H](NC)c1ccc2c(c1)OCCO2)C(C)C ZINC000043884956 175117013 /nfs/dbraw/zinc/11/70/13/175117013.db2.gz GIJDVHKLQAJHOD-OAHLLOKOSA-N 1 1 292.423 2.839 10 0 CFAEMO CCCN(C[C@@H]([NH2+]C)c1ccc2c(c1)OCCO2)C(C)C ZINC000043884956 175117014 /nfs/dbraw/zinc/11/70/14/175117014.db2.gz GIJDVHKLQAJHOD-OAHLLOKOSA-N 1 1 292.423 2.839 10 0 CFAEMO CC[C@@H](C)C[N@H+](C)[C@@H]1COc2ccccc2[C@@H]1NC ZINC000043889584 175117427 /nfs/dbraw/zinc/11/74/27/175117427.db2.gz IUDFFCBXCPJRPY-XPKDYRNWSA-N 1 1 262.397 2.686 10 0 CFAEMO CC[C@@H](C)C[N@@H+](C)[C@@H]1COc2ccccc2[C@@H]1NC ZINC000043889584 175117428 /nfs/dbraw/zinc/11/74/28/175117428.db2.gz IUDFFCBXCPJRPY-XPKDYRNWSA-N 1 1 262.397 2.686 10 0 CFAEMO CCN[C@H](C[N@H+](C)CC(C)C)c1ccc(OC)cc1 ZINC000043886809 175117786 /nfs/dbraw/zinc/11/77/86/175117786.db2.gz SECGPKZXOHTZOA-MRXNPFEDSA-N 1 1 264.413 2.934 10 0 CFAEMO CCN[C@H](C[N@@H+](C)CC(C)C)c1ccc(OC)cc1 ZINC000043886809 175117787 /nfs/dbraw/zinc/11/77/87/175117787.db2.gz SECGPKZXOHTZOA-MRXNPFEDSA-N 1 1 264.413 2.934 10 0 CFAEMO CCC[NH2+][C@@H]1CCC2(C[C@@H]1N(CC)[C@@H](C)CC)OCCO2 ZINC000043888990 175117798 /nfs/dbraw/zinc/11/77/98/175117798.db2.gz VQZHMAUTSGPQDZ-XHSDSOJGSA-N 1 1 298.471 2.771 10 0 CFAEMO CN[C@H]1CCC2(C[C@H]1[N@H+](C)C1CCCCCC1)OCCO2 ZINC000043899602 175121752 /nfs/dbraw/zinc/12/17/52/175121752.db2.gz BGLYWHBTLSIRBG-JKSUJKDBSA-N 1 1 296.455 2.525 10 0 CFAEMO CN[C@H]1CCC2(C[C@H]1[N@@H+](C)C1CCCCCC1)OCCO2 ZINC000043899602 175121753 /nfs/dbraw/zinc/12/17/53/175121753.db2.gz BGLYWHBTLSIRBG-JKSUJKDBSA-N 1 1 296.455 2.525 10 0 CFAEMO CN[C@@H]1c2ccccc2CCC[C@@H]1[N@H+](C)CC1CC1 ZINC000043905023 175122405 /nfs/dbraw/zinc/12/24/05/175122405.db2.gz TVCYZBFUILOCFW-DLBZAZTESA-N 1 1 258.409 2.994 10 0 CFAEMO CN[C@@H]1c2ccccc2CCC[C@@H]1[N@@H+](C)CC1CC1 ZINC000043905023 175122406 /nfs/dbraw/zinc/12/24/06/175122406.db2.gz TVCYZBFUILOCFW-DLBZAZTESA-N 1 1 258.409 2.994 10 0 CFAEMO CCOc1ccccc1[C@H](C[N@@H+]1CCC[C@@H]1C)NC ZINC000043902664 175122491 /nfs/dbraw/zinc/12/24/91/175122491.db2.gz MMEXPXBJXCULLH-ZFWWWQNUSA-N 1 1 262.397 2.830 10 0 CFAEMO CCOc1ccccc1[C@H](C[N@H+]1CCC[C@@H]1C)NC ZINC000043902664 175122492 /nfs/dbraw/zinc/12/24/92/175122492.db2.gz MMEXPXBJXCULLH-ZFWWWQNUSA-N 1 1 262.397 2.830 10 0 CFAEMO CCC[C@H]([NH2+]C)[C@@H](CC)N(CCOC)CC(C)C ZINC000043970291 175131535 /nfs/dbraw/zinc/13/15/35/175131535.db2.gz IYHFQMGJUNLXIC-LSDHHAIUSA-N 1 1 258.450 2.758 10 0 CFAEMO CCC[C@H]([NH2+]C)[C@@H](CC)N(CCOC)[C@@H](C)CC ZINC000043973189 175132597 /nfs/dbraw/zinc/13/25/97/175132597.db2.gz QCPXHYHLRSKHBM-SOUVJXGZSA-N 1 1 258.450 2.900 10 0 CFAEMO CCOc1ccc([C@@H](O)C[N@H+]2CCC[C@@H]2CC)cc1 ZINC000044112624 175141006 /nfs/dbraw/zinc/14/10/06/175141006.db2.gz JYOXLWBHWWZPAJ-HOCLYGCPSA-N 1 1 263.381 2.993 10 0 CFAEMO CC(C)Oc1ccc([C@@H](O)C[N@H+]2CCC[C@@H]2C)cc1 ZINC000044113241 175141241 /nfs/dbraw/zinc/14/12/41/175141241.db2.gz UDVQGVBSEFFBAI-BBRMVZONSA-N 1 1 263.381 2.992 10 0 CFAEMO CC[C@H]([C@@H](O)c1ccccc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000044117120 175142023 /nfs/dbraw/zinc/14/20/23/175142023.db2.gz XQVBTWZZCWLELH-CLWVCHIJSA-N 1 1 263.381 2.608 10 0 CFAEMO C[N@@H+](CCc1ccccn1)[C@H]1CCc2ccccc2[C@@H]1O ZINC000044125688 175144207 /nfs/dbraw/zinc/14/42/07/175144207.db2.gz UEMFCILETORYIU-ROUUACIJSA-N 1 1 282.387 2.604 10 0 CFAEMO CC[N@@H+](CC(C)C)C[C@H](O)c1ccc(OC)cc1OC ZINC000044126713 175144387 /nfs/dbraw/zinc/14/43/87/175144387.db2.gz ZBHTUSJMPNVZDC-HNNXBMFYSA-N 1 1 281.396 2.715 10 0 CFAEMO CC[C@@H](C)[N@@H+](C)[C@@H]1CCc2cc(OC)ccc2[C@@H]1O ZINC000044126407 175144395 /nfs/dbraw/zinc/14/43/95/175144395.db2.gz RAFRMLIUOZQDAJ-LYRGGWFBSA-N 1 1 263.381 2.774 10 0 CFAEMO CCOc1ccccc1[C@@H](O)C[N@@H+](CC)C(C)C ZINC000044128414 175144430 /nfs/dbraw/zinc/14/44/30/175144430.db2.gz VZRDVJCUXNOEBK-AWEZNQCLSA-N 1 1 251.370 2.849 10 0 CFAEMO CCc1ccc([C@@H](O)[C@@H](C)[NH+]2CCN(C(C)C)CC2)cc1 ZINC000044132885 175145034 /nfs/dbraw/zinc/14/50/34/175145034.db2.gz XMNVMSBEMABYBK-QAPCUYQASA-N 1 1 290.451 2.697 10 0 CFAEMO CCC[N@@H+](C[C@@H](O)c1cc(C)ccc1OC)C1CC1 ZINC000044130894 175145061 /nfs/dbraw/zinc/14/50/61/175145061.db2.gz MVWQMWWHDQSDOU-OAHLLOKOSA-N 1 1 263.381 2.911 10 0 CFAEMO CC[C@@H]([C@@H](O)c1ccccc1)[N@H+]1CCOC(C)(C)C1 ZINC000044159891 175147092 /nfs/dbraw/zinc/14/70/92/175147092.db2.gz SXYSPLUJEOSLBO-GJZGRUSLSA-N 1 1 263.381 2.609 10 0 CFAEMO Cc1ccc([C@H](O)[C@H](C)[N@@H+](C)C[C@@H]2CCCCO2)cc1 ZINC000044165607 175147812 /nfs/dbraw/zinc/14/78/12/175147812.db2.gz BUWQYCCHFYHVRQ-BHYGNILZSA-N 1 1 277.408 2.918 10 0 CFAEMO Cc1ccc([C@@H](O)C[N@H+](CCN(C)C)CC(C)C)c(C)c1 ZINC000044164438 175147831 /nfs/dbraw/zinc/14/78/31/175147831.db2.gz DHYDABRYPGNGMC-SFHVURJKSA-N 1 1 292.467 2.856 10 0 CFAEMO Cc1ccc([C@@H](O)CN(CC[NH+](C)C)CC(C)C)c(C)c1 ZINC000044164438 175147833 /nfs/dbraw/zinc/14/78/33/175147833.db2.gz DHYDABRYPGNGMC-SFHVURJKSA-N 1 1 292.467 2.856 10 0 CFAEMO C[C@@H]([C@H](O)c1ccccc1)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000044165332 175147918 /nfs/dbraw/zinc/14/79/18/175147918.db2.gz GRZLLYPNWLUWNL-BPUTZDHNSA-N 1 1 263.381 2.609 10 0 CFAEMO COC[C@H](C)[N@@H+](C)C[C@@H](O)c1c(C)cc(C)cc1C ZINC000044166840 175148467 /nfs/dbraw/zinc/14/84/67/175148467.db2.gz XBMFJFADULGDJH-LSDHHAIUSA-N 1 1 265.397 2.612 10 0 CFAEMO COc1cccc([C@H](O)C[N@@H+](CC(C)C)C2CC2)c1 ZINC000044170506 175148508 /nfs/dbraw/zinc/14/85/08/175148508.db2.gz VYPJLZUHQOMFLY-MRXNPFEDSA-N 1 1 263.381 2.849 10 0 CFAEMO CCc1ccc([C@@H](O)[C@@H](C)[N@@H+](C)[C@@H](C)COC)cc1 ZINC000044167156 175148510 /nfs/dbraw/zinc/14/85/10/175148510.db2.gz ICSSETOLHDQHHA-ZENOOKHLSA-N 1 1 265.397 2.638 10 0 CFAEMO CCCc1ccc([C@H](O)C[N@@H+](CC)CCOC)cc1 ZINC000044173262 175148982 /nfs/dbraw/zinc/14/89/82/175148982.db2.gz SEUKWAUJAVZPID-MRXNPFEDSA-N 1 1 265.397 2.641 10 0 CFAEMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)[C@@H]1COc2ccccc2[C@@H]1O ZINC000044173965 175149067 /nfs/dbraw/zinc/14/90/67/175149067.db2.gz MLVLWWMVFGJMNH-JWDQPFGJSA-N 1 1 275.392 2.992 10 0 CFAEMO CCc1ccc([C@@H](O)[C@@H](C)[N@@H+](C)Cc2cnn(C)c2)cc1 ZINC000044175442 175149932 /nfs/dbraw/zinc/14/99/32/175149932.db2.gz ICTCMCRZKZKBFR-DYVFJYSZSA-N 1 1 287.407 2.536 10 0 CFAEMO CCC1CCC([N@@H+](C)[C@@H]2CC3(CC[C@@H]2O)OCCO3)CC1 ZINC000044178389 175150490 /nfs/dbraw/zinc/15/04/90/175150490.db2.gz IGEYXIGVLDXULN-FJBKBRRZSA-N 1 1 297.439 2.544 10 0 CFAEMO CC1(C)COCC[N@H+]1[C@H]1CCCc2ccccc2[C@@H]1O ZINC000044178301 175151059 /nfs/dbraw/zinc/15/10/59/175151059.db2.gz BAQZFYVJVINNBM-HOTGVXAUSA-N 1 1 275.392 2.536 10 0 CFAEMO COc1ccc([C@@H](O)Cn2cc[nH+]c2C(C)C)cc1 ZINC000044185080 175151787 /nfs/dbraw/zinc/15/17/87/175151787.db2.gz RFAHYVPXHJUMGS-AWEZNQCLSA-N 1 1 260.337 2.749 10 0 CFAEMO CC(C)c1[nH+]ccn1C[C@H](O)c1ccc2c(c1)OCCO2 ZINC000044185319 175152051 /nfs/dbraw/zinc/15/20/51/175152051.db2.gz AMEVLZJSZVNDTG-ZDUSSCGKSA-N 1 1 288.347 2.511 10 0 CFAEMO CCc1[nH+]ccn1[C@H](C)[C@H](O)c1ccc(OC)cc1 ZINC000044189736 175152967 /nfs/dbraw/zinc/15/29/67/175152967.db2.gz JXKXQOUMZIBPKB-ABAIWWIYSA-N 1 1 260.337 2.749 10 0 CFAEMO C[N@H+]1CCC[C@H](Nc2ccc(C(F)(F)F)cc2N)C1 ZINC000044372406 175168252 /nfs/dbraw/zinc/16/82/52/175168252.db2.gz BELUEVHDYGAAAU-JTQLQIEISA-N 1 1 273.302 2.794 10 0 CFAEMO Nc1ccc(N[C@H]2CC[N@H+]3CCC[C@H]23)c(Cl)c1 ZINC000044389066 175170654 /nfs/dbraw/zinc/17/06/54/175170654.db2.gz SOTCANHVVMISSX-QWHCGFSZSA-N 1 1 251.761 2.571 10 0 CFAEMO CC[N@H+](Cc1cccc(F)c1)C[C@@H](C)C(N)=S ZINC000044413170 175172407 /nfs/dbraw/zinc/17/24/07/175172407.db2.gz WUWNWUUHHBLFJT-SNVBAGLBSA-N 1 1 254.374 2.570 10 0 CFAEMO Cc1nnc(N[C@H]2CC[N@H+](C3CC3)C2)c2ccccc12 ZINC000044417241 175173254 /nfs/dbraw/zinc/17/32/54/175173254.db2.gz QUFMJOCXQBRCHK-LBPRGKRZSA-N 1 1 268.364 2.587 10 0 CFAEMO CCCN1CCN([C@@H](c2ccccc2Cl)[C@H](C)[NH3+])CC1 ZINC000044418482 175173379 /nfs/dbraw/zinc/17/33/79/175173379.db2.gz WMMYTLQYSYTBRC-XJKSGUPXSA-N 1 1 295.858 2.756 10 0 CFAEMO Cc1nnc(N[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc12 ZINC000044417237 175173424 /nfs/dbraw/zinc/17/34/24/175173424.db2.gz QUFMJOCXQBRCHK-GFCCVEGCSA-N 1 1 268.364 2.587 10 0 CFAEMO Cc1c2cc(C)ccc2oc1[C@@H]([NH3+])c1cnn(C)c1 ZINC000044496597 175183914 /nfs/dbraw/zinc/18/39/14/175183914.db2.gz SYFUSVYFXJINHE-AWEZNQCLSA-N 1 1 255.321 2.831 10 0 CFAEMO C[N@@H+]1CCC[C@H](Cn2c(N)nc3cc(Cl)ccc32)C1 ZINC000044538230 175199416 /nfs/dbraw/zinc/19/94/16/175199416.db2.gz UZXVIHHVBBYMFC-JTQLQIEISA-N 1 1 278.787 2.614 10 0 CFAEMO C[N@H+]1CCC[C@H](Cn2c(N)nc3cc(Cl)ccc32)C1 ZINC000044538230 175199418 /nfs/dbraw/zinc/19/94/18/175199418.db2.gz UZXVIHHVBBYMFC-JTQLQIEISA-N 1 1 278.787 2.614 10 0 CFAEMO Cc1nnc(NC[C@@H]2CCC[N@H+](C)C2)c2ccccc12 ZINC000044537961 175199535 /nfs/dbraw/zinc/19/95/35/175199535.db2.gz SGDHKMBIPWCHFQ-ZDUSSCGKSA-N 1 1 270.380 2.692 10 0 CFAEMO CC[C@@H](c1ccc(OC)cc1)[N@@H+]1CCCC[C@@H]1CN ZINC000044540188 175200555 /nfs/dbraw/zinc/20/05/55/175200555.db2.gz RBQWBDMQDDBYRJ-ZBFHGGJFSA-N 1 1 262.397 2.960 10 0 CFAEMO CC[C@@H](c1ccc(OC)cc1)[N@H+]1CCCC[C@@H]1CN ZINC000044540188 175200556 /nfs/dbraw/zinc/20/05/56/175200556.db2.gz RBQWBDMQDDBYRJ-ZBFHGGJFSA-N 1 1 262.397 2.960 10 0 CFAEMO CC(C)N1C[C@H]2CCC[C@@H](C1)C2[NH2+]C[C@@H]1CCCCN1C ZINC000044560646 175204245 /nfs/dbraw/zinc/20/42/45/175204245.db2.gz BKXAZVDTSVMRFK-KTGAGVNESA-N 1 1 293.499 2.569 10 0 CFAEMO C[N@@H+]1CCCC[C@H]1CNCc1ccccc1Cl ZINC000044562155 175205620 /nfs/dbraw/zinc/20/56/20/175205620.db2.gz IAWOUWWTEMBYFR-ZDUSSCGKSA-N 1 1 252.789 2.914 10 0 CFAEMO C[N@H+]1CCCC[C@H]1CNCc1ccccc1Cl ZINC000044562155 175205621 /nfs/dbraw/zinc/20/56/21/175205621.db2.gz IAWOUWWTEMBYFR-ZDUSSCGKSA-N 1 1 252.789 2.914 10 0 CFAEMO CC(C)[C@H](CN[C@H]1CCCc2cc(O)ccc21)[NH+](C)C ZINC000044746907 175242826 /nfs/dbraw/zinc/24/28/26/175242826.db2.gz RYFFUIDXWIGESX-IRXDYDNUSA-N 1 1 276.424 2.945 10 0 CFAEMO CCC[N@H+]1CCC[C@@H]([C@@H](C)NCc2cc(C)no2)C1 ZINC000044986363 175284804 /nfs/dbraw/zinc/28/48/04/175284804.db2.gz ZNYAGJXAPGEUPY-ZIAGYGMSSA-N 1 1 265.401 2.583 10 0 CFAEMO CC[N@@H+](CC(N)=S)Cc1cccc(C(F)(F)F)c1 ZINC000045063460 175298789 /nfs/dbraw/zinc/29/87/89/175298789.db2.gz XLPBUHVPNFWDLO-UHFFFAOYSA-N 1 1 276.327 2.813 10 0 CFAEMO CC[N@@H+](CC(N)=S)Cc1ccc(Br)cc1 ZINC000045063429 175298868 /nfs/dbraw/zinc/29/88/68/175298868.db2.gz YJDXMEJSGHSAOM-UHFFFAOYSA-N 1 1 287.226 2.557 10 0 CFAEMO C[N@@H+](CC(C)(C)C)[C@@]1(CN)CCc2ccccc2C1 ZINC000045070004 175300580 /nfs/dbraw/zinc/30/05/80/175300580.db2.gz ALVOOXIGPCCWFW-KRWDZBQOSA-N 1 1 260.425 2.851 10 0 CFAEMO CN(CC(C)(C)C)[C@@]1(C[NH3+])CCc2ccccc2C1 ZINC000045070004 175300581 /nfs/dbraw/zinc/30/05/81/175300581.db2.gz ALVOOXIGPCCWFW-KRWDZBQOSA-N 1 1 260.425 2.851 10 0 CFAEMO C[N@@H+](CC(C)(C)C)[C@]1(CN)CCc2ccccc2C1 ZINC000045070001 175300893 /nfs/dbraw/zinc/30/08/93/175300893.db2.gz ALVOOXIGPCCWFW-QGZVFWFLSA-N 1 1 260.425 2.851 10 0 CFAEMO CN(CC(C)(C)C)[C@]1(C[NH3+])CCc2ccccc2C1 ZINC000045070001 175300895 /nfs/dbraw/zinc/30/08/95/175300895.db2.gz ALVOOXIGPCCWFW-QGZVFWFLSA-N 1 1 260.425 2.851 10 0 CFAEMO Cc1nn(C)c(C)c1[C@H](C)[NH2+]CC1(N(C)C)CCCCC1 ZINC000045167879 175319429 /nfs/dbraw/zinc/31/94/29/175319429.db2.gz ZNPYRBNXMRNINX-ZDUSSCGKSA-N 1 1 292.471 2.952 10 0 CFAEMO CCn1nc(C)c([C@@H](C)NC[C@@H]2CCC[N@@H+]2CC)c1C ZINC000045167693 175319447 /nfs/dbraw/zinc/31/94/47/175319447.db2.gz LHBRCHPMBIFJDP-DOMZBBRYSA-N 1 1 278.444 2.655 10 0 CFAEMO CCn1nc(C)c([C@@H](C)NC[C@@H]2CCC[N@H+]2CC)c1C ZINC000045167693 175319448 /nfs/dbraw/zinc/31/94/48/175319448.db2.gz LHBRCHPMBIFJDP-DOMZBBRYSA-N 1 1 278.444 2.655 10 0 CFAEMO CCn1nc(C)c([C@@H](C)NCC(C)(C)[NH+](C)C)c1C ZINC000045168209 175319544 /nfs/dbraw/zinc/31/95/44/175319544.db2.gz VMRYONJNSKAEIW-LLVKDONJSA-N 1 1 266.433 2.511 10 0 CFAEMO CCn1nc(C)c([C@@H](C)[NH2+][C@@H](C)CCN(C)C)c1C ZINC000045172560 175321465 /nfs/dbraw/zinc/32/14/65/175321465.db2.gz BVVFLBJRMATFSP-NWDGAFQWSA-N 1 1 266.433 2.511 10 0 CFAEMO CCCN[C@@](C)(CC[N@H+]1CCC[C@@H]1CC)C(=O)OCC ZINC000045221318 175330142 /nfs/dbraw/zinc/33/01/42/175330142.db2.gz JZTQPGYTHMPPPZ-HOCLYGCPSA-N 1 1 284.444 2.572 10 0 CFAEMO CCN[C@](C)(CC[N@@H+](C)C1CCCCC1)C(=O)OCC ZINC000045231288 175334612 /nfs/dbraw/zinc/33/46/12/175334612.db2.gz JKJCAAOEJGQNHQ-MRXNPFEDSA-N 1 1 284.444 2.572 10 0 CFAEMO CCN[C@](C)(CC[N@@H+](CC)C1CCCC1)C(=O)OCC ZINC000045269304 175340804 /nfs/dbraw/zinc/34/08/04/175340804.db2.gz NSLZSCCJKQRIIG-MRXNPFEDSA-N 1 1 284.444 2.572 10 0 CFAEMO CC(C)[NH2+][C@](C)(CC[N@@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000045271964 175342756 /nfs/dbraw/zinc/34/27/56/175342756.db2.gz GWUAVWDJDAHTKT-MRXNPFEDSA-N 1 1 284.444 2.872 10 0 CFAEMO CCC[N@@H+](CC[C@](C)(NC(C)C)C(=O)OCC)CC1CC1 ZINC000045276940 175346830 /nfs/dbraw/zinc/34/68/30/175346830.db2.gz UPNIZLOWZPDPCW-KRWDZBQOSA-N 1 1 298.471 2.818 10 0 CFAEMO CCOC(=O)[C@](C)(CC[N@@H+](CC(C)C)C1CC1)NC(C)C ZINC000045277586 175347748 /nfs/dbraw/zinc/34/77/48/175347748.db2.gz ICTCREWFHXFKFE-KRWDZBQOSA-N 1 1 298.471 2.817 10 0 CFAEMO CCC1CCC([N@@H+](C)C[C@](C)(NC2CC2)C(=O)OC)CC1 ZINC000045281120 175352172 /nfs/dbraw/zinc/35/21/72/175352172.db2.gz MBWVEWQPLNQJRU-PGEKIEPBSA-N 1 1 296.455 2.571 10 0 CFAEMO CCOC(=O)[C@](C)(C[N@@H+](C)CC1CCCCC1)NC1CC1 ZINC000045281598 175352684 /nfs/dbraw/zinc/35/26/84/175352684.db2.gz SMURSZVVEHIITC-KRWDZBQOSA-N 1 1 296.455 2.572 10 0 CFAEMO CCCC[N@@H+](CC[C@](C)([NH2+]C1CC1)C(=O)[O-])[C@@H](C)CC ZINC000045282613 175353147 /nfs/dbraw/zinc/35/31/47/175353147.db2.gz CMIPTDQEPOFVLV-BBRMVZONSA-N 1 1 284.444 2.872 10 0 CFAEMO CCCN[C@](C)(CCC[N@H+]1CCC[C@@H]1C)C(=O)OCC ZINC000045367943 175362791 /nfs/dbraw/zinc/36/27/91/175362791.db2.gz OKRIKSLPQNHEES-GOEBONIOSA-N 1 1 284.444 2.572 10 0 CFAEMO CCCC[N@@H+](C)CCC[C@@](C)(NC(C)C)C(=O)OCC ZINC000045368408 175363638 /nfs/dbraw/zinc/36/36/38/175363638.db2.gz FWLDVCNQJBVTRY-MRXNPFEDSA-N 1 1 286.460 2.818 10 0 CFAEMO CCCC[N@@H+](CC)CCC[C@](C)(NC1CC1)C(=O)OC ZINC000045370773 175364356 /nfs/dbraw/zinc/36/43/56/175364356.db2.gz RTQWPORVMJAEEY-INIZCTEOSA-N 1 1 284.444 2.572 10 0 CFAEMO CCCC[N@@H+](CC)CCC[C@@](C)(NCC)C(=O)OCC ZINC000045370701 175364396 /nfs/dbraw/zinc/36/43/96/175364396.db2.gz KCDWFDDDTAENEP-MRXNPFEDSA-N 1 1 286.460 2.820 10 0 CFAEMO CC[N@@H+](CCC[C@](C)(NC)C(=O)OC)C1CCCCC1 ZINC000045372410 175364893 /nfs/dbraw/zinc/36/48/93/175364893.db2.gz JHLUJEBNZHQLGI-INIZCTEOSA-N 1 1 284.444 2.572 10 0 CFAEMO CCOC(=O)[C@@](C)(CCCC[N@@H+](C)C1CCCCC1)NC ZINC000045379075 175367970 /nfs/dbraw/zinc/36/79/70/175367970.db2.gz NHPIGWOMDGRAKX-QGZVFWFLSA-N 1 1 298.471 2.962 10 0 CFAEMO COC(=O)[C@](C)(CCC[N@@H+](C)C1CCCCC1)NC(C)C ZINC000045379163 175368534 /nfs/dbraw/zinc/36/85/34/175368534.db2.gz WWZIZDLRZKSDBK-KRWDZBQOSA-N 1 1 298.471 2.961 10 0 CFAEMO CCOC(=O)[C@](C)(CCC[N@@H+]1[C@H](C)CCC[C@@H]1C)NC ZINC000045379701 175369506 /nfs/dbraw/zinc/36/95/06/175369506.db2.gz VTFFPSHFVWWSLQ-LZWOXQAQSA-N 1 1 284.444 2.571 10 0 CFAEMO CCOC(=O)[C@@](C)(CCC[N@@H+](C)CC(C)C)NC(C)C ZINC000045381038 175369860 /nfs/dbraw/zinc/36/98/60/175369860.db2.gz HBNPKMOJUWWWEX-MRXNPFEDSA-N 1 1 286.460 2.674 10 0 CFAEMO CCOC(=O)[C@](C)(CCC[N@@H+](CC)CC(C)C)NC1CC1 ZINC000045381893 175370026 /nfs/dbraw/zinc/37/00/26/175370026.db2.gz IRICNZSSXABBKH-KRWDZBQOSA-N 1 1 298.471 2.818 10 0 CFAEMO COC(=O)[C@@](C)(CCCC[N@@H+](C)C1CCCC1)NC1CC1 ZINC000045384747 175372077 /nfs/dbraw/zinc/37/20/77/175372077.db2.gz IRIXNQMTSJATHC-QGZVFWFLSA-N 1 1 296.455 2.715 10 0 CFAEMO CCC[N@@H+](CCCC[C@](C)(NC(C)C)C(=O)OC)C1CC1 ZINC000045387477 175373398 /nfs/dbraw/zinc/37/33/98/175373398.db2.gz HADHSNQDLXHKLJ-KRWDZBQOSA-N 1 1 298.471 2.961 10 0 CFAEMO CCC[N@@H+](CC)CCCC[C@](C)(NCC)C(=O)OCC ZINC000045386910 175373423 /nfs/dbraw/zinc/37/34/23/175373423.db2.gz BOGGXHOOFQUSOX-INIZCTEOSA-N 1 1 286.460 2.820 10 0 CFAEMO CCCCC[N@@H+](C)CCCC[C@](C)(NC)C(=O)OCC ZINC000045387959 175373899 /nfs/dbraw/zinc/37/38/99/175373899.db2.gz IFFYIDKCFOCQTP-INIZCTEOSA-N 1 1 286.460 2.820 10 0 CFAEMO CCC[NH2+][C@@](C)(CCC[N@@H+](C)C(CC)CC)C(=O)[O-] ZINC000045391527 175374299 /nfs/dbraw/zinc/37/42/99/175374299.db2.gz STKOAWFEAHDRDM-HNNXBMFYSA-N 1 1 272.433 2.730 10 0 CFAEMO CCC[NH2+][C@@](C)(CCC[N@@H+](C)[C@@H](C)C(C)C)C(=O)[O-] ZINC000045392063 175375424 /nfs/dbraw/zinc/37/54/24/175375424.db2.gz FHOCCTLPXDMRTH-ZFWWWQNUSA-N 1 1 272.433 2.586 10 0 CFAEMO CCOC(=O)[C@@](C)(N)CCCC[N@H+](C)[C@@H](C)C(C)(C)C ZINC000045420984 175380140 /nfs/dbraw/zinc/38/01/40/175380140.db2.gz UPEOIKURWYWJDK-BBRMVZONSA-N 1 1 286.460 2.804 10 0 CFAEMO CCOC(=O)[C@@](C)(N)CCCC[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000045420984 175380142 /nfs/dbraw/zinc/38/01/42/175380142.db2.gz UPEOIKURWYWJDK-BBRMVZONSA-N 1 1 286.460 2.804 10 0 CFAEMO CC[N@H+](Cc1ccccc1C)C[C@H](O)COC(C)(C)C ZINC000046055304 175391380 /nfs/dbraw/zinc/39/13/80/175391380.db2.gz DIHTXZFGNDVPGO-INIZCTEOSA-N 1 1 279.424 2.993 10 0 CFAEMO CC[C@@H]1C[N@H+](Cc2cccc(OC)c2)[C@H](C(C)C)CN1 ZINC000071343757 176130843 /nfs/dbraw/zinc/13/08/43/176130843.db2.gz BNEZGMFUHXVVNX-WBVHZDCISA-N 1 1 276.424 2.904 10 0 CFAEMO CC[C@@H]1C[N@@H+](Cc2cccc(OC)c2)[C@H](C(C)C)CN1 ZINC000071343757 176130845 /nfs/dbraw/zinc/13/08/45/176130845.db2.gz BNEZGMFUHXVVNX-WBVHZDCISA-N 1 1 276.424 2.904 10 0 CFAEMO CC1(C)COC[C@@H](c2ccc(Br)s2)[NH2+]1 ZINC000071616998 176234720 /nfs/dbraw/zinc/23/47/20/176234720.db2.gz JXEMCGDBAXGUMM-ZETCQYMHSA-N 1 1 276.199 2.950 10 0 CFAEMO COc1cc2c(cc1OC)C1(CC1)C[NH2+][C@H]2c1ccccn1 ZINC000071651181 176240878 /nfs/dbraw/zinc/24/08/78/176240878.db2.gz CVOKNCLKBMGWML-QGZVFWFLSA-N 1 1 296.370 2.823 10 0 CFAEMO Cc1cc(C(C)(C)C)ccc1CCOC(=O)[C@@H](C)[NH3+] ZINC000076363691 177003410 /nfs/dbraw/zinc/00/34/10/177003410.db2.gz AVBFKYXZGSKKIE-GFCCVEGCSA-N 1 1 263.381 2.725 10 0 CFAEMO c1ccc(CSCCN2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000192578032 228149867 /nfs/dbraw/zinc/14/98/67/228149867.db2.gz WVAVJJXVIMFENT-MRXNPFEDSA-N 1 1 276.449 2.700 10 0 CFAEMO COC(=O)[C@@H]1CCC[N@@H+](CC/C=C/c2ccccc2)C1 ZINC000322956403 260069011 /nfs/dbraw/zinc/06/90/11/260069011.db2.gz SUZASBDLBFWOMZ-ZWIJEDICSA-N 1 1 273.376 2.975 10 0 CFAEMO CC[C@H](C)[N@H+]1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000192847977 270235100 /nfs/dbraw/zinc/23/51/00/270235100.db2.gz RZRJDRQKLAIQMO-GJZGRUSLSA-N 1 1 298.471 2.913 10 0 CFAEMO Cc1ccc(NCCCNC(=O)N[C@H](C)C(C)C)[nH+]c1 ZINC000193072842 270236285 /nfs/dbraw/zinc/23/62/85/270236285.db2.gz SUYBUFTTYGBIDT-CYBMUJFWSA-N 1 1 278.400 2.536 10 0 CFAEMO CCOc1ccccc1NC(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000194318998 270244547 /nfs/dbraw/zinc/24/45/47/270244547.db2.gz WFNYGCAGSXGPOS-ZDUSSCGKSA-N 1 1 291.395 2.691 10 0 CFAEMO COCC[N@@H+]1CCN(Cc2sccc2Cl)C[C@@H]1C ZINC000194384782 270245583 /nfs/dbraw/zinc/24/55/83/270245583.db2.gz SVJUFFBVTCXBPH-NSHDSACASA-N 1 1 288.844 2.554 10 0 CFAEMO COCC[N@H+]1CCN(Cc2sccc2Cl)C[C@@H]1C ZINC000194384782 270245584 /nfs/dbraw/zinc/24/55/84/270245584.db2.gz SVJUFFBVTCXBPH-NSHDSACASA-N 1 1 288.844 2.554 10 0 CFAEMO CC[C@@](C)(O)C[N@H+]1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000323443623 270297829 /nfs/dbraw/zinc/29/78/29/270297829.db2.gz ZTEWISSSTKSSNB-SJLPKXTDSA-N 1 1 290.451 2.601 10 0 CFAEMO COc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](O)[C@@H]1C ZINC000395168432 270311694 /nfs/dbraw/zinc/31/16/94/270311694.db2.gz PYCYRKBHESSTLJ-GXFFZTMASA-N 1 1 269.772 2.694 10 0 CFAEMO O[C@@H]1CC[C@H]2C[N@@H+](CCCOc3ccccc3)C[C@H]2C1 ZINC000398931174 270325263 /nfs/dbraw/zinc/32/52/63/270325263.db2.gz OPSUPRBIOOKUOM-ARFHVFGLSA-N 1 1 275.392 2.548 10 0 CFAEMO COc1ccc(Cl)cc1C[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000399055899 270325795 /nfs/dbraw/zinc/32/57/95/270325795.db2.gz MSCTUHQWXLVYTR-SLEUVZQESA-N 1 1 295.810 2.941 10 0 CFAEMO COc1ccc(Cl)cc1C[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000399055902 270325855 /nfs/dbraw/zinc/32/58/55/270325855.db2.gz MSCTUHQWXLVYTR-YWPYICTPSA-N 1 1 295.810 2.941 10 0 CFAEMO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc(F)c(Cl)c1 ZINC000399467515 270328547 /nfs/dbraw/zinc/32/85/47/270328547.db2.gz LLCANSJKRCSGFO-GXSJLCMTSA-N 1 1 257.736 2.824 10 0 CFAEMO C[C@H]1CC[C@@H](O)C[N@H+]1Cc1ccc(F)c(Cl)c1 ZINC000399467515 270328548 /nfs/dbraw/zinc/32/85/48/270328548.db2.gz LLCANSJKRCSGFO-GXSJLCMTSA-N 1 1 257.736 2.824 10 0 CFAEMO C[C@H]1CC[C@H](O)C[N@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000399481951 270328919 /nfs/dbraw/zinc/32/89/19/270328919.db2.gz 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QQAZTDNFDBEHRQ-UONOGXRCSA-N 1 1 289.423 2.531 10 0 CFAEMO CCCc1nccnc1NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000663449551 413207149 /nfs/dbraw/zinc/20/71/49/413207149.db2.gz DLOVPZLQPNAFCI-ZDUSSCGKSA-N 1 1 262.401 2.571 10 0 CFAEMO Cc1c[nH]c(C[NH2+][C@@H](C)c2ccc(F)c(F)c2)n1 ZINC000657286019 413394512 /nfs/dbraw/zinc/39/45/12/413394512.db2.gz LQPQMPVVARYYRB-VIFPVBQESA-N 1 1 251.280 2.847 10 0 CFAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1C[C@]1(C)C(C)C ZINC000248463527 287223208 /nfs/dbraw/zinc/22/32/08/287223208.db2.gz ATKURMAEXWKYLO-PNBKFKSVSA-N 1 1 278.440 2.754 10 0 CFAEMO CC(C)n1cc(-c2cccc(O)c2)c2c1nc[nH+]c2N ZINC000008581888 170342013 /nfs/dbraw/zinc/34/20/13/170342013.db2.gz NIQJRFJYORDEIO-UHFFFAOYSA-N 1 1 268.320 2.967 10 0 CFAEMO Cc1[nH+]ccn1CCCC(=O)Nc1ccc(N)cc1C ZINC000019257813 170760343 /nfs/dbraw/zinc/76/03/43/170760343.db2.gz LECAJIIOCSOWFU-UHFFFAOYSA-N 1 1 272.352 2.501 10 0 CFAEMO C[C@@H]([NH2+][C@H]1COc2cc(O)ccc21)c1ccncc1 ZINC000020121487 171001159 /nfs/dbraw/zinc/00/11/59/171001159.db2.gz CITYWJISYNZAQH-YGRLFVJLSA-N 1 1 256.305 2.572 10 0 CFAEMO CC(C)C(=O)NCC[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000020125334 171007927 /nfs/dbraw/zinc/00/79/27/171007927.db2.gz OWSUBSJIRNCSSV-INIZCTEOSA-N 1 1 286.375 2.731 10 0 CFAEMO c1ccc2sc(C[NH2+]Cc3cccnc3)nc2c1 ZINC000020136009 171023311 /nfs/dbraw/zinc/02/33/11/171023311.db2.gz YFUDSSHHGWPGNE-UHFFFAOYSA-N 1 1 255.346 2.981 10 0 CFAEMO COc1ccc([C@H](CN)[N@H+](C)CC(C)(C)C)cc1 ZINC000020225883 171090086 /nfs/dbraw/zinc/09/00/86/171090086.db2.gz ZNNHGZMZQBHXCB-AWEZNQCLSA-N 1 1 250.386 2.673 10 0 CFAEMO COc1ccc([C@H](CN)[N@@H+](C)CC(C)(C)C)cc1 ZINC000020225883 171090087 /nfs/dbraw/zinc/09/00/87/171090087.db2.gz ZNNHGZMZQBHXCB-AWEZNQCLSA-N 1 1 250.386 2.673 10 0 CFAEMO CC[N@H+]1CCC[C@H]1CNc1ccc(Br)cc1N ZINC000020384050 171174241 /nfs/dbraw/zinc/17/42/41/171174241.db2.gz HWZKYOOUDMVVSP-NSHDSACASA-N 1 1 298.228 2.928 10 0 CFAEMO CC(C)c1ccc(OC[C@@H](CN)[NH+]2CCCC2)cc1 ZINC000020400564 171181391 /nfs/dbraw/zinc/18/13/91/171181391.db2.gz RMDNSFHUIGKEBU-OAHLLOKOSA-N 1 1 262.397 2.612 10 0 CFAEMO CC[N@H+]1CCc2nc(-c3ccc(O)cc3)sc2C1 ZINC000020432963 171198093 /nfs/dbraw/zinc/19/80/93/171198093.db2.gz RDDHYDZRVJGFIB-UHFFFAOYSA-N 1 1 260.362 2.894 10 0 CFAEMO COC(C)(C)C[C@@H](C)[NH2+]C[C@@H](C(C)C)N1CCCC1 ZINC000020524761 171237811 /nfs/dbraw/zinc/23/78/11/171237811.db2.gz OYDRKTKLOMHGPU-CABCVRRESA-N 1 1 270.461 2.900 10 0 CFAEMO CCc1onc(C)c1[C@@H]1CCC[N@H+]1Cc1cn(C)nc1C ZINC000021720822 171320872 /nfs/dbraw/zinc/32/08/72/171320872.db2.gz MBDXSSXRSBXZBH-AWEZNQCLSA-N 1 1 288.395 2.924 10 0 CFAEMO C[C@@H](C(=O)Nc1ccc(N)cc1Cl)[N@@H+]1CCC[C@H](C)C1 ZINC000022154217 171361347 /nfs/dbraw/zinc/36/13/47/171361347.db2.gz PEXKEQNYGVDMEA-QWRGUYRKSA-N 1 1 295.814 2.981 10 0 CFAEMO C[C@@H](C(=O)Nc1ccc(N)cc1Cl)[N@H+]1CCC[C@H](C)C1 ZINC000022154217 171361348 /nfs/dbraw/zinc/36/13/48/171361348.db2.gz PEXKEQNYGVDMEA-QWRGUYRKSA-N 1 1 295.814 2.981 10 0 CFAEMO C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(F)c(N)c1 ZINC000022155360 171362026 /nfs/dbraw/zinc/36/20/26/171362026.db2.gz NDOURYQEMGVHKD-NSHDSACASA-N 1 1 279.359 2.611 10 0 CFAEMO C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2N)C1 ZINC000022155703 171362408 /nfs/dbraw/zinc/36/24/08/171362408.db2.gz NCNHYXXMUDXUMB-JTQLQIEISA-N 1 1 281.787 2.593 10 0 CFAEMO CC(C)[N@H+](C)[C@H](CN)c1ccc(F)c(Br)c1 ZINC000022168483 171366810 /nfs/dbraw/zinc/36/68/10/171366810.db2.gz BXMISTFDHCRMIW-GFCCVEGCSA-N 1 1 289.192 2.928 10 0 CFAEMO CC(C)[N@@H+](C)[C@H](CN)c1ccc(F)c(Br)c1 ZINC000022168483 171366811 /nfs/dbraw/zinc/36/68/11/171366811.db2.gz BXMISTFDHCRMIW-GFCCVEGCSA-N 1 1 289.192 2.928 10 0 CFAEMO COc1ccc2cc([C@@H](CN)[NH+]3CCCC3)ccc2c1 ZINC000022171624 171368213 /nfs/dbraw/zinc/36/82/13/171368213.db2.gz PSPUHFINNBCEFH-QGZVFWFLSA-N 1 1 270.376 2.944 10 0 CFAEMO Cc1ccc(N)cc1NC(=O)CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022212494 171374001 /nfs/dbraw/zinc/37/40/01/171374001.db2.gz HMCKICDUAPRUKA-BETUJISGSA-N 1 1 289.423 2.884 10 0 CFAEMO C[N@@H+](CCC(=O)Nc1ccccc1N)C1CCCCC1 ZINC000022213319 171374623 /nfs/dbraw/zinc/37/46/23/171374623.db2.gz JNLBYQVMYQLOGP-UHFFFAOYSA-N 1 1 275.396 2.862 10 0 CFAEMO CCC[NH+](CCC)[C@@H](CN)c1cnn(-c2ccccc2)c1 ZINC000022219535 171377141 /nfs/dbraw/zinc/37/71/41/171377141.db2.gz MKKOYHHSGUEABD-KRWDZBQOSA-N 1 1 286.423 2.994 10 0 CFAEMO COc1ccc([C@H](CN)[N@H+](C)C(C)C)cc1OC(F)F ZINC000022222814 171379186 /nfs/dbraw/zinc/37/91/86/171379186.db2.gz AAEPHWCPPOCSHA-NSHDSACASA-N 1 1 288.338 2.637 10 0 CFAEMO COc1ccc([C@H](CN)[N@@H+](C)C(C)C)cc1OC(F)F ZINC000022222814 171379187 /nfs/dbraw/zinc/37/91/87/171379187.db2.gz AAEPHWCPPOCSHA-NSHDSACASA-N 1 1 288.338 2.637 10 0 CFAEMO COc1ccc([C@@H](CN)[N@H+](C)C(C)C)cc1OC(F)F ZINC000022222812 171379371 /nfs/dbraw/zinc/37/93/71/171379371.db2.gz AAEPHWCPPOCSHA-LLVKDONJSA-N 1 1 288.338 2.637 10 0 CFAEMO COc1ccc([C@@H](CN)[N@@H+](C)C(C)C)cc1OC(F)F ZINC000022222812 171379372 /nfs/dbraw/zinc/37/93/72/171379372.db2.gz AAEPHWCPPOCSHA-LLVKDONJSA-N 1 1 288.338 2.637 10 0 CFAEMO COc1ccc([C@@H](N)C[N@H+]2CCCC[C@@H]2C)c(OC)c1 ZINC000022563990 171391359 /nfs/dbraw/zinc/39/13/59/171391359.db2.gz LNYUNHFARSQFSO-WFASDCNBSA-N 1 1 278.396 2.578 10 0 CFAEMO COc1ccc([C@@H]([NH3+])CN2CCCC[C@@H]2C)c(OC)c1 ZINC000022563990 171391360 /nfs/dbraw/zinc/39/13/60/171391360.db2.gz LNYUNHFARSQFSO-WFASDCNBSA-N 1 1 278.396 2.578 10 0 CFAEMO C[C@H]([NH2+][C@@H](C)c1ccco1)C(=O)N1CCCCCC1 ZINC000035139771 172008304 /nfs/dbraw/zinc/00/83/04/172008304.db2.gz CONXCXREIMQFIE-STQMWFEESA-N 1 1 264.369 2.721 10 0 CFAEMO CC[C@@H]1CC[C@H](C[NH3+])[C@H](N(C)Cc2ccco2)C1 ZINC000035700786 172369016 /nfs/dbraw/zinc/36/90/16/172369016.db2.gz PMCGLVPFKSSKOS-UMVBOHGHSA-N 1 1 250.386 2.865 10 0 CFAEMO C[N@@H+](C[C@H]1CC(c2ccc(Cl)cc2)=NO1)CC(C)(C)O ZINC000035743075 172394603 /nfs/dbraw/zinc/39/46/03/172394603.db2.gz NLVWHPBGLGRSBV-CYBMUJFWSA-N 1 1 296.798 2.536 10 0 CFAEMO O[C@@H]1CC[C@H]2C[N@@H+](Cc3ccsc3Cl)C[C@@H]2C1 ZINC000660809349 413584805 /nfs/dbraw/zinc/58/48/05/413584805.db2.gz VCJWGZBTIDPYAH-ZMLRMANQSA-N 1 1 271.813 2.994 10 0 CFAEMO Cc1cccc(C[N@H+](C[C@H](O)COC(C)C)C2CC2)c1 ZINC000036098799 172439438 /nfs/dbraw/zinc/43/94/38/172439438.db2.gz WLZRIIVYPXZHPL-KRWDZBQOSA-N 1 1 277.408 2.745 10 0 CFAEMO COc1ccc(CN[C@@H](CC(C)C)C[NH+](C)C)c(OC)c1 ZINC000037166678 173001791 /nfs/dbraw/zinc/00/17/91/173001791.db2.gz MHNALDUSJIMEOF-HNNXBMFYSA-N 1 1 294.439 2.770 10 0 CFAEMO Cc1ccc([C@H]([NH3+])c2noc(C(F)(F)F)n2)cc1C ZINC000037180357 173013002 /nfs/dbraw/zinc/01/30/02/173013002.db2.gz DIXATUPFVNBOKJ-VIFPVBQESA-N 1 1 271.242 2.753 10 0 CFAEMO COc1ccc([C@H]([NH2+]CCCN(C)C)C2CC2)cc1 ZINC000037213678 173034878 /nfs/dbraw/zinc/03/48/78/173034878.db2.gz HRDGMLOXYZLOER-MRXNPFEDSA-N 1 1 262.397 2.688 10 0 CFAEMO COc1nc2sccn2c1C[NH2+][C@H](C)c1ccncc1 ZINC000037217782 173036108 /nfs/dbraw/zinc/03/61/08/173036108.db2.gz FZELRRICJZHUCR-SNVBAGLBSA-N 1 1 288.376 2.650 10 0 CFAEMO CC[N@H+]1CCC[C@H]([C@@H](C)N[C@@H](C)c2ccccn2)C1 ZINC000037220388 173039113 /nfs/dbraw/zinc/03/91/13/173039113.db2.gz IBMDYWYGNZUFIJ-ILXRZTDVSA-N 1 1 261.413 2.853 10 0 CFAEMO O=S1(=O)CC[C@H]([NH2+]Cc2cccs2)c2ccccc21 ZINC000037231948 173050832 /nfs/dbraw/zinc/05/08/32/173050832.db2.gz CPYXZRBVDUXEMY-ZDUSSCGKSA-N 1 1 293.413 2.756 10 0 CFAEMO Nc1cc(C[N@H+]2CCc3sccc3C2)ccc1O ZINC000037272237 173083004 /nfs/dbraw/zinc/08/30/04/173083004.db2.gz HDLVAKKVEABRDN-UHFFFAOYSA-N 1 1 260.362 2.594 10 0 CFAEMO CC(C)[NH2+][C@](C)(C(N)=O)c1cc(Cl)ccc1Cl ZINC000037446560 173213248 /nfs/dbraw/zinc/21/32/48/173213248.db2.gz NEFUCBRWFUSQMQ-LBPRGKRZSA-N 1 1 275.179 2.692 10 0 CFAEMO CC[NH2+][C@]1(C(=O)OCC)C[C@@H](C)CC[C@@H]1C(C)C ZINC000037447139 173214064 /nfs/dbraw/zinc/21/40/64/173214064.db2.gz XLQPHNDQLBZMGG-GZBFAFLISA-N 1 1 255.402 2.990 10 0 CFAEMO COc1ccc(CC[C@@](C)(CN)[N@@H+](C)C(C)C)cc1 ZINC000037497423 173236725 /nfs/dbraw/zinc/23/67/25/173236725.db2.gz OTOANOQUWRIOAP-INIZCTEOSA-N 1 1 264.413 2.685 10 0 CFAEMO COc1ccc(CC[C@@](C)(C[NH3+])N(C)C(C)C)cc1 ZINC000037497423 173236727 /nfs/dbraw/zinc/23/67/27/173236727.db2.gz OTOANOQUWRIOAP-INIZCTEOSA-N 1 1 264.413 2.685 10 0 CFAEMO CCCCOC[C@@H](O)C[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662042944 414379444 /nfs/dbraw/zinc/37/94/44/414379444.db2.gz HRKLQDOBEHQHBV-CVEARBPZSA-N 1 1 269.429 2.676 10 0 CFAEMO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCO2)c1cc[nH]n1 ZINC000037907500 173839954 /nfs/dbraw/zinc/83/99/54/173839954.db2.gz XIZSXCSVQLNVST-NXEZZACHSA-N 1 1 259.309 2.550 10 0 CFAEMO [NH3+][C@@H](c1nc(Cc2ccccn2)no1)C1CCCCC1 ZINC000038036980 174036897 /nfs/dbraw/zinc/03/68/97/174036897.db2.gz PSSYUZWZPWFQPF-CQSZACIVSA-N 1 1 272.352 2.636 10 0 CFAEMO Cc1nccc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2)n1 ZINC000038037320 174037186 /nfs/dbraw/zinc/03/71/86/174037186.db2.gz VKCGDWIZKKETKY-VIFPVBQESA-N 1 1 263.291 2.914 10 0 CFAEMO CC[C@H](C)[NH2+][C@](C)(C(N)=O)c1ccccc1Br ZINC000038065653 174076943 /nfs/dbraw/zinc/07/69/43/174076943.db2.gz ZDNUTQDMWDHWCE-ZANVPECISA-N 1 1 299.212 2.538 10 0 CFAEMO CC[C@@H](C)[NH2+][C@](C)(C(N)=O)c1ccccc1Br ZINC000038065652 174076954 /nfs/dbraw/zinc/07/69/54/174076954.db2.gz ZDNUTQDMWDHWCE-RNCFNFMXSA-N 1 1 299.212 2.538 10 0 CFAEMO C[C@H](CN[C@@H]1CSCc2ccccc21)[NH+](C)C ZINC000038087456 174099547 /nfs/dbraw/zinc/09/95/47/174099547.db2.gz GDMLBFDYIDWJKE-BXUZGUMPSA-N 1 1 250.411 2.514 10 0 CFAEMO OC[C@@H]([NH2+]Cc1cccs1)c1cc(F)ccc1F ZINC000038123903 174131161 /nfs/dbraw/zinc/13/11/61/174131161.db2.gz FJUQUGZTYIUMDW-CYBMUJFWSA-N 1 1 269.316 2.850 10 0 CFAEMO O[C@@H](Cc1[nH]cc[nH+]1)c1cc(F)cc(Br)c1 ZINC000040261577 174217217 /nfs/dbraw/zinc/21/72/17/174217217.db2.gz FQAFOMXSEMQAGW-JTQLQIEISA-N 1 1 285.116 2.587 10 0 CFAEMO Cc1cc(Br)ccc1[C@H](O)Cc1[nH]cc[nH+]1 ZINC000040261619 174217434 /nfs/dbraw/zinc/21/74/34/174217434.db2.gz XRAHKHRGSTYMLC-LLVKDONJSA-N 1 1 281.153 2.757 10 0 CFAEMO CC[N@@H+]1CCC[C@@H](N[C@@H](C)c2ccccc2OC)C1 ZINC000040502170 174298476 /nfs/dbraw/zinc/29/84/76/174298476.db2.gz PGGGWFVKQCVAEJ-UONOGXRCSA-N 1 1 262.397 2.830 10 0 CFAEMO CC[N@H+]1CCC[C@@H](N[C@@H](C)c2ccccc2OC)C1 ZINC000040502170 174298477 /nfs/dbraw/zinc/29/84/77/174298477.db2.gz PGGGWFVKQCVAEJ-UONOGXRCSA-N 1 1 262.397 2.830 10 0 CFAEMO CC[N@H+]1CCC[C@H](Nc2nncc3ccccc32)C1 ZINC000040503159 174299596 /nfs/dbraw/zinc/29/95/96/174299596.db2.gz CLTKBUVRUNPMEX-ZDUSSCGKSA-N 1 1 256.353 2.526 10 0 CFAEMO CCCCN(CC)c1[nH+]c(C)cc(C)c1C(N)=S ZINC000040510045 174304066 /nfs/dbraw/zinc/30/40/66/174304066.db2.gz DSYKXJWDLNMRPC-UHFFFAOYSA-N 1 1 265.426 2.959 10 0 CFAEMO C[NH2+]C[C@H]1CCCN(Cc2cn(C)c3ccccc23)C1 ZINC000040593377 174347389 /nfs/dbraw/zinc/34/73/89/174347389.db2.gz NBKSEAQCEPNLDN-CQSZACIVSA-N 1 1 271.408 2.610 10 0 CFAEMO CC(C)[N@@H+]1CC[C@@H](CN[C@@H]2CCc3c2cccc3O)C1 ZINC000040622790 174355986 /nfs/dbraw/zinc/35/59/86/174355986.db2.gz GXPBACGLQROZAZ-XJKSGUPXSA-N 1 1 274.408 2.699 10 0 CFAEMO CC(C)[N@H+]1CC[C@@H](CN[C@@H]2CCc3c2cccc3O)C1 ZINC000040622790 174355987 /nfs/dbraw/zinc/35/59/87/174355987.db2.gz GXPBACGLQROZAZ-XJKSGUPXSA-N 1 1 274.408 2.699 10 0 CFAEMO Cc1ncsc1[C@@H](C)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000040623435 174356035 /nfs/dbraw/zinc/35/60/35/174356035.db2.gz AMDMFDDXZLTGTQ-YPMHNXCESA-N 1 1 267.442 2.832 10 0 CFAEMO Cn1cc[nH+]c1CCNc1nccc2sccc21 ZINC000040639616 174363792 /nfs/dbraw/zinc/36/37/92/174363792.db2.gz BKBAKTOQTYJCJX-UHFFFAOYSA-N 1 1 258.350 2.684 10 0 CFAEMO CCCNc1[nH+]cnc(N(C)Cc2ccccc2)c1N ZINC000040662155 174365756 /nfs/dbraw/zinc/36/57/56/174365756.db2.gz WANBFOKECQBORX-UHFFFAOYSA-N 1 1 271.368 2.517 10 0 CFAEMO C[C@@H](N[C@H]1CCC[N@H+](C)C1)c1c(F)cccc1F ZINC000040671910 174369768 /nfs/dbraw/zinc/36/97/68/174369768.db2.gz RQKQWSHKVLCWIJ-MNOVXSKESA-N 1 1 254.324 2.710 10 0 CFAEMO C[C@@H](N[C@H]1CCC[N@@H+](C)C1)c1c(F)cccc1F ZINC000040671910 174369769 /nfs/dbraw/zinc/36/97/69/174369769.db2.gz RQKQWSHKVLCWIJ-MNOVXSKESA-N 1 1 254.324 2.710 10 0 CFAEMO C[C@H]([NH2+]C(C)(C)C(N)=O)c1cc(Cl)ccc1Cl ZINC000040674129 174372775 /nfs/dbraw/zinc/37/27/75/174372775.db2.gz RUBOIBUUEJUMMJ-ZETCQYMHSA-N 1 1 275.179 2.908 10 0 CFAEMO CCCCCC[C@@H](CN)[NH+]1CCC(OCC)CC1 ZINC000040689094 174376071 /nfs/dbraw/zinc/37/60/71/174376071.db2.gz PGNDZKHDZIKESV-AWEZNQCLSA-N 1 1 256.434 2.785 10 0 CFAEMO CCOC1CC[NH+](C[C@@H](N)c2ccc(CC)cc2)CC1 ZINC000040689220 174376163 /nfs/dbraw/zinc/37/61/63/174376163.db2.gz KWXPUCBVDMXASK-QGZVFWFLSA-N 1 1 276.424 2.750 10 0 CFAEMO C[N@H+]1CCC[C@H](N2C(=S)N=NC2c2ccccc2)C1 ZINC000040715902 174383082 /nfs/dbraw/zinc/38/30/82/174383082.db2.gz OGGXQBMGKTYHKY-LBPRGKRZSA-N 1 1 274.393 2.501 10 0 CFAEMO CCN(Cc1cccc(OC)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747467 174392623 /nfs/dbraw/zinc/39/26/23/174392623.db2.gz NULLCISMFTWUDE-XYPWUTKMSA-N 1 1 274.408 2.800 10 0 CFAEMO CC(C)Oc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040749446 174393782 /nfs/dbraw/zinc/39/37/82/174393782.db2.gz YBYKKBVAUZUBNN-MQVJKMGUSA-N 1 1 274.408 2.928 10 0 CFAEMO CC(C)Oc1ccc(CN2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040749446 174393783 /nfs/dbraw/zinc/39/37/83/174393783.db2.gz 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/nfs/dbraw/zinc/11/66/52/175116652.db2.gz MADFTYNGGQTJRH-OAHLLOKOSA-N 1 1 250.386 2.544 10 0 CFAEMO CN[C@H](C[N@@H+](C)CC(C)C)c1ccc(OC)cc1 ZINC000043886555 175116653 /nfs/dbraw/zinc/11/66/53/175116653.db2.gz MADFTYNGGQTJRH-OAHLLOKOSA-N 1 1 250.386 2.544 10 0 CFAEMO CCN[C@H]1c2ccccc2OC[C@H]1[N@H+](C)C1CCCC1 ZINC000043884078 175116752 /nfs/dbraw/zinc/11/67/52/175116752.db2.gz DVWDVKPGFBRWKA-WBVHZDCISA-N 1 1 274.408 2.973 10 0 CFAEMO CCN[C@H]1c2ccccc2OC[C@H]1[N@@H+](C)C1CCCC1 ZINC000043884078 175116753 /nfs/dbraw/zinc/11/67/53/175116753.db2.gz DVWDVKPGFBRWKA-WBVHZDCISA-N 1 1 274.408 2.973 10 0 CFAEMO CCC[N@H+](C)C[C@@H](NCC)c1ccccc1OC ZINC000043886063 175117105 /nfs/dbraw/zinc/11/71/05/175117105.db2.gz GRNVJGIABQEYMI-CQSZACIVSA-N 1 1 250.386 2.688 10 0 CFAEMO CCC[N@@H+](C)C[C@@H](NCC)c1ccccc1OC ZINC000043886063 175117106 /nfs/dbraw/zinc/11/71/06/175117106.db2.gz GRNVJGIABQEYMI-CQSZACIVSA-N 1 1 250.386 2.688 10 0 CFAEMO CC[C@H](C)[N@H+](CC)[C@@H]1COc2ccccc2[C@@H]1NC ZINC000043888653 175117404 /nfs/dbraw/zinc/11/74/04/175117404.db2.gz MWNGTEBELZNQPW-BJJXKVORSA-N 1 1 262.397 2.829 10 0 CFAEMO CC[C@H](C)[N@@H+](CC)[C@@H]1COc2ccccc2[C@@H]1NC ZINC000043888653 175117405 /nfs/dbraw/zinc/11/74/05/175117405.db2.gz MWNGTEBELZNQPW-BJJXKVORSA-N 1 1 262.397 2.829 10 0 CFAEMO CN[C@H]1c2ccccc2CCC[C@@H]1[NH+]1CCC(OC)CC1 ZINC000043889870 175117603 /nfs/dbraw/zinc/11/76/03/175117603.db2.gz OVLFOUDLKZJEIB-ROUUACIJSA-N 1 1 288.435 2.763 10 0 CFAEMO CN[C@@H](C[N@H+](C)[C@@H](C)C1CC1)c1ccc(OC)cc1 ZINC000043894691 175119069 /nfs/dbraw/zinc/11/90/69/175119069.db2.gz ABPSCJBASXBJAU-LRDDRELGSA-N 1 1 262.397 2.686 10 0 CFAEMO CN[C@@H](C[N@@H+](C)[C@@H](C)C1CC1)c1ccc(OC)cc1 ZINC000043894691 175119071 /nfs/dbraw/zinc/11/90/71/175119071.db2.gz ABPSCJBASXBJAU-LRDDRELGSA-N 1 1 262.397 2.686 10 0 CFAEMO CN[C@H]1c2ccccc2CC[C@H]1[N@@H+](C)[C@@H](C)C1CC1 ZINC000043894819 175119529 /nfs/dbraw/zinc/11/95/29/175119529.db2.gz LCWXNXDEHRGPJJ-VUCTXSBTSA-N 1 1 258.409 2.992 10 0 CFAEMO C[NH2+][C@H]1c2ccccc2CC[C@H]1N(C)[C@@H](C)C1CC1 ZINC000043894819 175119530 /nfs/dbraw/zinc/11/95/30/175119530.db2.gz LCWXNXDEHRGPJJ-VUCTXSBTSA-N 1 1 258.409 2.992 10 0 CFAEMO CN[C@@H](C[N@H+](C)C1CCOCC1)c1cc2ccccc2o1 ZINC000043898287 175120924 /nfs/dbraw/zinc/12/09/24/175120924.db2.gz QVDHNPHLGZYGOY-HNNXBMFYSA-N 1 1 288.391 2.804 10 0 CFAEMO CN[C@@H](C[N@@H+](C)C1CCOCC1)c1cc2ccccc2o1 ZINC000043898287 175120925 /nfs/dbraw/zinc/12/09/25/175120925.db2.gz QVDHNPHLGZYGOY-HNNXBMFYSA-N 1 1 288.391 2.804 10 0 CFAEMO CC[NH2+][C@@H](C)c1ccc(OC)c(CN(C)[C@@H](C)COC)c1 ZINC000043969361 175130806 /nfs/dbraw/zinc/13/08/06/175130806.db2.gz WGOQLINOZFLGRR-KBPBESRZSA-N 1 1 294.439 2.832 10 0 CFAEMO CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N(CCOC)CC(C)C ZINC000043970371 175131030 /nfs/dbraw/zinc/13/10/30/175131030.db2.gz KSDBZNDKJQTAQE-OAGGEKHMSA-N 1 1 270.461 2.758 10 0 CFAEMO CCC[NH2+][C@@H](C)CCN1CCC[C@H](OCCC)C1 ZINC000043971319 175132478 /nfs/dbraw/zinc/13/24/78/175132478.db2.gz UERUXACJVLUOGK-GJZGRUSLSA-N 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CFAEMO CC(C)CCOCCN1CC[C@H](C)[NH2+][C@@H](C)CC1 ZINC000045109369 175309430 /nfs/dbraw/zinc/30/94/30/175309430.db2.gz TUIXWTONWQYMBC-GJZGRUSLSA-N 1 1 256.434 2.512 10 0 CFAEMO C[C@H](C(N)=S)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000045147241 175317097 /nfs/dbraw/zinc/31/70/97/175317097.db2.gz PGRGPQRGMMFFQT-MRVPVSSYSA-N 1 1 276.327 2.812 10 0 CFAEMO CCn1nc(C)c([C@@H](C)[NH2+]Cc2ccccn2)c1C ZINC000045167677 175319330 /nfs/dbraw/zinc/31/93/30/175319330.db2.gz CMVCZPGIARXICM-LLVKDONJSA-N 1 1 258.369 2.766 10 0 CFAEMO CCn1nc(C)c([C@H](C)[NH2+]C2CCN(CC)CC2)c1C ZINC000045172051 175321831 /nfs/dbraw/zinc/32/18/31/175321831.db2.gz VFUUPEOGHLIUEM-LBPRGKRZSA-N 1 1 278.444 2.655 10 0 CFAEMO CCN(C[C@@](C)([NH3+])C(=O)OC)c1cccc2ccccc21 ZINC000045222920 175330755 /nfs/dbraw/zinc/33/07/55/175330755.db2.gz GDRGJTSGGFFELE-QGZVFWFLSA-N 1 1 286.375 2.557 10 0 CFAEMO CCCC[N@@H+](CC)CC[C@](C)(NC(C)C)C(=O)OCC ZINC000045223422 175331724 /nfs/dbraw/zinc/33/17/24/175331724.db2.gz FKXJAKARKIWRAL-INIZCTEOSA-N 1 1 286.460 2.818 10 0 CFAEMO CCOC(=O)[C@@](C)(C[N@@H+](CC)C1CCCCC1)NC1CC1 ZINC000045224092 175331962 /nfs/dbraw/zinc/33/19/62/175331962.db2.gz FMYWCCACHJUQSU-QGZVFWFLSA-N 1 1 296.455 2.715 10 0 CFAEMO CCOC(=O)[C@](C)(CC[N@H+]1CCCC[C@@H]1C)NC(C)C ZINC000045227124 175333436 /nfs/dbraw/zinc/33/34/36/175333436.db2.gz ATHANTJBYINEMI-HOCLYGCPSA-N 1 1 284.444 2.571 10 0 CFAEMO COC(=O)[C@@](C)(CC[N@@H+](C)C1CCCCC1)NC(C)C ZINC000045231317 175335211 /nfs/dbraw/zinc/33/52/11/175335211.db2.gz PFXZJUYTUSXHMT-MRXNPFEDSA-N 1 1 284.444 2.571 10 0 CFAEMO CCOC(=O)[C@](C)(C[N@@H+]1[C@H](C)CCC[C@@H]1C)NC(C)C ZINC000045231817 175335503 /nfs/dbraw/zinc/33/55/03/175335503.db2.gz MQUPKQQGAPXHHR-LZWOXQAQSA-N 1 1 284.444 2.569 10 0 CFAEMO CCCN[C@](C)(CC[N@H+]1CCCC[C@@H]1CC)C(=O)OCC ZINC000045265989 175339265 /nfs/dbraw/zinc/33/92/65/175339265.db2.gz NLINCAYISZZZFP-DOTOQJQBSA-N 1 1 298.471 2.962 10 0 CFAEMO CCCN[C@](C)(CC[N@@H+](CCC)C1CC1)C(=O)OCC ZINC000045268012 175340282 /nfs/dbraw/zinc/34/02/82/175340282.db2.gz XFFRBQDWGVSBRE-MRXNPFEDSA-N 1 1 284.444 2.572 10 0 CFAEMO CCCN[C@@](C)(CC[N@@H+](C)C[C@@H](C)CC)C(=O)OCC ZINC000045268479 175340724 /nfs/dbraw/zinc/34/07/24/175340724.db2.gz TVLSRQOSORVRRO-HOCLYGCPSA-N 1 1 286.460 2.676 10 0 CFAEMO CCN[C@@](C)(CC[N@@H+](CC)C1CCCC1)C(=O)OCC ZINC000045269302 175340886 /nfs/dbraw/zinc/34/08/86/175340886.db2.gz NSLZSCCJKQRIIG-INIZCTEOSA-N 1 1 284.444 2.572 10 0 CFAEMO CCCN[C@](C)(CC[N@@H+](C)C[C@@H](C)CC)C(=O)OCC ZINC000045268481 175341086 /nfs/dbraw/zinc/34/10/86/175341086.db2.gz TVLSRQOSORVRRO-GOEBONIOSA-N 1 1 286.460 2.676 10 0 CFAEMO COC(=O)[C@](C)(C[N@@H+](C)C1CCCCCC1)NC(C)C ZINC000045271928 175342700 /nfs/dbraw/zinc/34/27/00/175342700.db2.gz DUGZTVMVBZPBIH-INIZCTEOSA-N 1 1 284.444 2.571 10 0 CFAEMO CCOC(=O)[C@@](C)(CC[N@@H+](C)C1CCCCCC1)NC ZINC000045271984 175342740 /nfs/dbraw/zinc/34/27/40/175342740.db2.gz HHWDPOFLSDAXRR-MRXNPFEDSA-N 1 1 284.444 2.572 10 0 CFAEMO CCC[NH2+][C@](C)(CC[N@@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000045271960 175342774 /nfs/dbraw/zinc/34/27/74/175342774.db2.gz IRWHUBZASPGHRT-MRXNPFEDSA-N 1 1 284.444 2.874 10 0 CFAEMO COC(=O)[C@@](C)(CC[N@@H+](C)C1CCCCCC1)NC(C)C ZINC000045272013 175343248 /nfs/dbraw/zinc/34/32/48/175343248.db2.gz BMNCTWNIBFMBSG-QGZVFWFLSA-N 1 1 298.471 2.961 10 0 CFAEMO CCCN[C@@](C)(C[N@@H+](C)[C@@H](C)C(C)(C)C)C(=O)OCC ZINC000045274727 175345183 /nfs/dbraw/zinc/34/51/83/175345183.db2.gz UCAMNKPCJCVQSQ-BBRMVZONSA-N 1 1 286.460 2.674 10 0 CFAEMO CC[NH2+][C@](C)(CC[N@@H+](CC)CC(CC)CC)C(=O)[O-] ZINC000045277820 175347189 /nfs/dbraw/zinc/34/71/89/175347189.db2.gz PROATYVOBJMAAY-OAHLLOKOSA-N 1 1 272.433 2.587 10 0 CFAEMO C[C@@](CC[N@H+]1CCC[C@@H]1C1CCCC1)([NH2+]C1CC1)C(=O)[O-] ZINC000045277401 175347718 /nfs/dbraw/zinc/34/77/18/175347718.db2.gz GFUWMBYXNBPSAQ-WBVHZDCISA-N 1 1 294.439 2.626 10 0 CFAEMO CCCCC[N@@H+](C[C@](C)(NC(C)C)C(=O)OC)C(C)C ZINC000045278580 175348261 /nfs/dbraw/zinc/34/82/61/175348261.db2.gz GMJSJCODGVHFDY-INIZCTEOSA-N 1 1 286.460 2.817 10 0 CFAEMO CCCN[C@@](C)(CC[N@@H+](C)[C@@H]1CCCC[C@@H]1C)C(=O)OC ZINC000045279126 175348987 /nfs/dbraw/zinc/34/89/87/175348987.db2.gz UOHGANMWQIQUQD-UXLLHSPISA-N 1 1 298.471 2.818 10 0 CFAEMO CCCN[C@@](C)(CC[N@@H+](C)C1CCC(C)CC1)C(=O)OC ZINC000045280615 175350116 /nfs/dbraw/zinc/35/01/16/175350116.db2.gz FBILGFKLCWRTDE-DQPZFDDXSA-N 1 1 298.471 2.818 10 0 CFAEMO CCCC[N@@H+](CC[C@@](C)(NCCC)C(N)=O)[C@@H](C)CC ZINC000045282666 175353487 /nfs/dbraw/zinc/35/34/87/175353487.db2.gz IZQMOAVSPQLGGU-GOEBONIOSA-N 1 1 285.476 2.521 10 0 CFAEMO CCCC[N@@H+](CC)CCC[C@@](C)(NC(C)C)C(=O)OC ZINC000045370748 175364487 /nfs/dbraw/zinc/36/44/87/175364487.db2.gz CMDKMYHFTXMTQK-MRXNPFEDSA-N 1 1 286.460 2.818 10 0 CFAEMO CC[N@@H+](CCC[C@@](C)(NC)C(=O)OC)C1CCCCC1 ZINC000045372413 175365109 /nfs/dbraw/zinc/36/51/09/175365109.db2.gz JHLUJEBNZHQLGI-MRXNPFEDSA-N 1 1 284.444 2.572 10 0 CFAEMO CCC[NH2+][C@](C)(CCCC[N@H+]1CCCC[C@@H]1C)C(=O)[O-] ZINC000045376051 175366675 /nfs/dbraw/zinc/36/66/75/175366675.db2.gz HBYVGQAGSVJSMI-GOEBONIOSA-N 1 1 284.444 2.874 10 0 CFAEMO CCN[C@](C)(CCCC[N@@H+](C)C1CCCC1)C(=O)OCC ZINC000045384699 175372421 /nfs/dbraw/zinc/37/24/21/175372421.db2.gz OHBHGKCOCLFDKC-QGZVFWFLSA-N 1 1 298.471 2.962 10 0 CFAEMO CCOC(=O)[C@](C)(CCCC[N@@H+](CC)C1CC1)NC(C)C ZINC000045386418 175372596 /nfs/dbraw/zinc/37/25/96/175372596.db2.gz KJUYIAJZYKVIGY-KRWDZBQOSA-N 1 1 298.471 2.961 10 0 CFAEMO CCC[NH2+][C@](C)(CCCC[N@@H+](CC)CCC)C(=O)[O-] ZINC000045386838 175372918 /nfs/dbraw/zinc/37/29/18/175372918.db2.gz BDOAMYDSALKPTD-OAHLLOKOSA-N 1 1 272.433 2.732 10 0 CFAEMO CCCN[C@@](C)(CCCC[N@@H+](CC)CCC)C(=O)OC ZINC000045386925 175373084 /nfs/dbraw/zinc/37/30/84/175373084.db2.gz YRMOOCFWKBWEIW-INIZCTEOSA-N 1 1 286.460 2.820 10 0 CFAEMO CCC[N@@H+](CCCC[C@@](C)(NC(C)C)C(=O)OC)C1CC1 ZINC000045387482 175373202 /nfs/dbraw/zinc/37/32/02/175373202.db2.gz HADHSNQDLXHKLJ-QGZVFWFLSA-N 1 1 298.471 2.961 10 0 CFAEMO CCCN[C@@](C)(CCC[N@@H+](C)C[C@@H](C)CC)C(=O)OC ZINC000045388680 175374122 /nfs/dbraw/zinc/37/41/22/175374122.db2.gz UBFIMOQCEPMJCF-HOCLYGCPSA-N 1 1 286.460 2.676 10 0 CFAEMO CCOC(=O)[C@](C)(CCCC[N@@H+](C)C[C@@H](C)CC)NC ZINC000045388493 175374217 /nfs/dbraw/zinc/37/42/17/175374217.db2.gz WHGWYIJXUXGILX-HOCLYGCPSA-N 1 1 286.460 2.676 10 0 CFAEMO CCC[NH2+][C@@](C)(CCC[N@@H+](C)[C@@H](C)CCC)C(=O)[O-] ZINC000045394719 175376208 /nfs/dbraw/zinc/37/62/08/175376208.db2.gz INNWEFJTXOHJAX-ZFWWWQNUSA-N 1 1 272.433 2.730 10 0 CFAEMO CCCN[C@H](C[N@@H+](C)C1CCCCCC1)C(=O)OCC ZINC000045419091 175377135 /nfs/dbraw/zinc/37/71/35/175377135.db2.gz AHMSZPWKGAHAGS-OAHLLOKOSA-N 1 1 284.444 2.572 10 0 CFAEMO CCOC(=O)[C@@](C)(N)CCC[NH+](CC(C)C)CC(C)C ZINC000045420412 175378554 /nfs/dbraw/zinc/37/85/54/175378554.db2.gz YELTWMIOGNJULX-INIZCTEOSA-N 1 1 286.460 2.661 10 0 CFAEMO CCc1[nH+]ccn1-c1ccc(CNC(=O)c2ccoc2)cc1 ZINC000065201785 175703666 /nfs/dbraw/zinc/70/36/66/175703666.db2.gz IBTGRDOSSKBRCE-UHFFFAOYSA-N 1 1 295.342 2.958 10 0 CFAEMO C[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H]([NH+](C)CC(=O)[O-])CC1 ZINC000263486597 287307082 /nfs/dbraw/zinc/30/70/82/287307082.db2.gz HNBNWKVAYKVNOJ-OWCLPIDISA-N 1 1 296.455 2.684 10 0 CFAEMO C[C@@H]1CCCC[C@H]1C[NH+]1CCC[C@@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000263486597 287307083 /nfs/dbraw/zinc/30/70/83/287307083.db2.gz HNBNWKVAYKVNOJ-OWCLPIDISA-N 1 1 296.455 2.684 10 0 CFAEMO C[C@@H]1CCCC[C@H]1C[NH+]1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000263486597 287307085 /nfs/dbraw/zinc/30/70/85/287307085.db2.gz HNBNWKVAYKVNOJ-OWCLPIDISA-N 1 1 296.455 2.684 10 0 CFAEMO Cc1ncsc1C[NH2+]Cc1cnc2ccccc2n1 ZINC000071212856 176084889 /nfs/dbraw/zinc/08/48/89/176084889.db2.gz JWDOGJMAAAIMHV-UHFFFAOYSA-N 1 1 270.361 2.685 10 0 CFAEMO CC[C@H]1C[N@H+](Cc2cccs2)[C@H](C(C)C)CN1 ZINC000071343738 176130785 /nfs/dbraw/zinc/13/07/85/176130785.db2.gz UZCOZHFROASNMY-JSGCOSHPSA-N 1 1 252.427 2.957 10 0 CFAEMO CC[C@H]1C[N@@H+](Cc2cccs2)[C@H](C(C)C)CN1 ZINC000071343738 176130787 /nfs/dbraw/zinc/13/07/87/176130787.db2.gz UZCOZHFROASNMY-JSGCOSHPSA-N 1 1 252.427 2.957 10 0 CFAEMO CC1(C)CO[C@H](c2ccccc2Br)[NH2+]1 ZINC000071577302 176205621 /nfs/dbraw/zinc/20/56/21/176205621.db2.gz CIKUOCZCTVDNQX-SNVBAGLBSA-N 1 1 256.143 2.846 10 0 CFAEMO CCc1ccc(CCCCN2CCC[NH2+]CC2)cc1 ZINC000071587017 176214047 /nfs/dbraw/zinc/21/40/47/176214047.db2.gz PPDKIELMILLBSV-UHFFFAOYSA-N 1 1 260.425 2.867 10 0 CFAEMO CCc1ccc(CCCC[N@@H+]2CCCNCC2)cc1 ZINC000071587017 176214049 /nfs/dbraw/zinc/21/40/49/176214049.db2.gz PPDKIELMILLBSV-UHFFFAOYSA-N 1 1 260.425 2.867 10 0 CFAEMO CCc1ccc(CCCC[N@H+]2CCCNCC2)cc1 ZINC000071587017 176214050 /nfs/dbraw/zinc/21/40/50/176214050.db2.gz PPDKIELMILLBSV-UHFFFAOYSA-N 1 1 260.425 2.867 10 0 CFAEMO Cc1oc(C[NH3+])nc1-c1ccc(Br)s1 ZINC000071612507 176232615 /nfs/dbraw/zinc/23/26/15/176232615.db2.gz ORSGWDPUFJCKKV-UHFFFAOYSA-N 1 1 273.155 2.933 10 0 CFAEMO Cc1nc2c(c(NCCc3c[nH]c4ccccc34)n1)C[NH2+]C2 ZINC000072154624 176328633 /nfs/dbraw/zinc/32/86/33/176328633.db2.gz BOBZCVWHNJXTQK-UHFFFAOYSA-N 1 1 293.374 2.524 10 0 CFAEMO Cc1ccc(C(C)(C)C)cc1CCOC(=O)[C@H](C)[NH3+] ZINC000076363687 177003341 /nfs/dbraw/zinc/00/33/41/177003341.db2.gz DGPPCSKSFJLWEH-LBPRGKRZSA-N 1 1 263.381 2.725 10 0 CFAEMO CCc1cc([C@@H](CN)[N@H+](C)C(C)C)ccc1OC ZINC000077432338 177268122 /nfs/dbraw/zinc/26/81/22/177268122.db2.gz IJFBNRATCINFDG-CQSZACIVSA-N 1 1 250.386 2.598 10 0 CFAEMO CCc1cc([C@@H](CN)[N@@H+](C)C(C)C)ccc1OC ZINC000077432338 177268123 /nfs/dbraw/zinc/26/81/23/177268123.db2.gz IJFBNRATCINFDG-CQSZACIVSA-N 1 1 250.386 2.598 10 0 CFAEMO O[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)s3)C[C@H]2C1 ZINC000398676051 270323711 /nfs/dbraw/zinc/32/37/11/270323711.db2.gz HEXYEEQBYJDBEO-HBNTYKKESA-N 1 1 271.813 2.994 10 0 CFAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cccc(F)c1 ZINC000092696047 260518626 /nfs/dbraw/zinc/51/86/26/260518626.db2.gz RACOJEVXOABBBZ-HZPDHXFCSA-N 1 1 262.372 2.884 10 0 CFAEMO CCCCOC[C@@H](O)C[N@@H+](C)CC1CCCCC1 ZINC000193248644 262218978 /nfs/dbraw/zinc/21/89/78/262218978.db2.gz TYGJTOBKJWTNLA-HNNXBMFYSA-N 1 1 257.418 2.676 10 0 CFAEMO CC[N@H+]1CCC[C@@H](NC(=O)NCCC2=CCCCC2)C1 ZINC000194136804 270243291 /nfs/dbraw/zinc/24/32/91/270243291.db2.gz OLFQGJFBRPGBBL-OAHLLOKOSA-N 1 1 279.428 2.660 10 0 CFAEMO CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)cs2)C1 ZINC000194331038 270244442 /nfs/dbraw/zinc/24/44/42/270244442.db2.gz XHPSEZYURGRWME-LLVKDONJSA-N 1 1 272.801 2.502 10 0 CFAEMO CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)cs2)C1 ZINC000194331038 270244444 /nfs/dbraw/zinc/24/44/44/270244444.db2.gz XHPSEZYURGRWME-LLVKDONJSA-N 1 1 272.801 2.502 10 0 CFAEMO CCCCS[C@H](C)C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000194665536 270246157 /nfs/dbraw/zinc/24/61/57/270246157.db2.gz OKBGSJDWBAIFNX-OLZOCXBDSA-N 1 1 272.458 2.509 10 0 CFAEMO CC(C)(CC[NH3+])NCc1cc(Br)ccc1F ZINC000258769547 270274442 /nfs/dbraw/zinc/27/44/42/270274442.db2.gz HOAVZRSLMMDEME-UHFFFAOYSA-N 1 1 289.192 2.805 10 0 CFAEMO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000399175446 270326977 /nfs/dbraw/zinc/32/69/77/270326977.db2.gz AWSXZCXUBBUIFK-GXTWGEPZSA-N 1 1 272.348 2.687 10 0 CFAEMO C[C@H]1CC[C@@H](O)C[N@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000399175446 270326980 /nfs/dbraw/zinc/32/69/80/270326980.db2.gz AWSXZCXUBBUIFK-GXTWGEPZSA-N 1 1 272.348 2.687 10 0 CFAEMO C[C@H]1CC[C@@H](O)C[N@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000399238075 270327574 /nfs/dbraw/zinc/32/75/74/270327574.db2.gz FNWULEUTAUKAQN-SMDDNHRTSA-N 1 1 296.798 2.514 10 0 CFAEMO C[C@H]1CC[C@H](O)C[N@H+]1Cc1ccccc1OC(F)F ZINC000399237795 270327869 /nfs/dbraw/zinc/32/78/69/270327869.db2.gz LNTNIWMNBZHXRG-JQWIXIFHSA-N 1 1 271.307 2.633 10 0 CFAEMO CSc1ccc(C[N@H+]2C[C@H](O)CC[C@@H]2C)cc1 ZINC000399458912 270328507 /nfs/dbraw/zinc/32/85/07/270328507.db2.gz JCNDUNGVDNFFLE-WCQYABFASA-N 1 1 251.395 2.754 10 0 CFAEMO Cc1cc(C)cc(OCCC[N@@H+]2C[C@H](O)CC[C@@H]2C)c1 ZINC000399507263 270329237 /nfs/dbraw/zinc/32/92/37/270329237.db2.gz YFPIOFQWWAYQHL-JKSUJKDBSA-N 1 1 277.408 2.918 10 0 CFAEMO C[C@@H]1C[N@@H+](C[C@H](O)COCc2ccccc2)[C@@H](C)[C@H]1C ZINC000399642540 270329546 /nfs/dbraw/zinc/32/95/46/270329546.db2.gz XZQMMJDFLQJYIH-AESZEHBQSA-N 1 1 277.408 2.540 10 0 CFAEMO C([C@H]1CCCCO1)[N@@H+]1CCC[C@@H]1c1nc2c([nH]1)CCCC2 ZINC000328629450 275397461 /nfs/dbraw/zinc/39/74/61/275397461.db2.gz IFXGTMKRJOKKAS-CZUORRHYSA-N 1 1 289.423 2.995 10 0 CFAEMO C([C@H]1CCCCO1)[N@H+]1CCC[C@@H]1c1nc2c([nH]1)CCCC2 ZINC000328629450 275397462 /nfs/dbraw/zinc/39/74/62/275397462.db2.gz IFXGTMKRJOKKAS-CZUORRHYSA-N 1 1 289.423 2.995 10 0 CFAEMO CC1(C)CCC[C@H](C(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000245932766 276110029 /nfs/dbraw/zinc/11/00/29/276110029.db2.gz QVOXKSNQBJQRJK-KBPBESRZSA-N 1 1 264.413 2.509 10 0 CFAEMO CC[N@H+]1CCC[C@@H]1CN(C)CC1=Cc2ccccc2OC1 ZINC000123411812 276169537 /nfs/dbraw/zinc/16/95/37/276169537.db2.gz SMSREDDKVNJHJT-QGZVFWFLSA-N 1 1 286.419 2.879 10 0 CFAEMO CN1CCN(c2cc(N3CCCC3)[nH+]c3ccccc32)CC1 ZINC000253495271 277112473 /nfs/dbraw/zinc/11/24/73/277112473.db2.gz SJUUPGBVNRVJIC-UHFFFAOYSA-N 1 1 296.418 2.587 10 0 CFAEMO CC(C)(C)OC[C@H](O)C[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000176929334 277216785 /nfs/dbraw/zinc/21/67/85/277216785.db2.gz MMIIAEHHQSFEFH-RDBSUJKOSA-N 1 1 287.469 2.522 10 0 CFAEMO CC(C)[NH+]1CCC(N[C@@H](CN(C)C)c2ccccc2)CC1 ZINC000020129264 277584910 /nfs/dbraw/zinc/58/49/10/277584910.db2.gz PBHPMBWIGVCCHC-SFHVURJKSA-N 1 1 289.467 2.752 10 0 CFAEMO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)C[N@H+]1C1CC1 ZINC000177101340 278022899 /nfs/dbraw/zinc/02/28/99/278022899.db2.gz QYTCNWIDLSVDRE-JWZBEHFJSA-N 1 1 290.451 2.944 10 0 CFAEMO C[C@@H](NCc1ccccc1C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000400442726 278358455 /nfs/dbraw/zinc/35/84/55/278358455.db2.gz MVGQHQINYYFAGC-MNOVXSKESA-N 1 1 272.314 2.793 10 0 CFAEMO Cc1nnc(C[NH2+][C@H]2c3ccccc3CCC2(C)C)[nH]1 ZINC000293187652 279057890 /nfs/dbraw/zinc/05/78/90/279057890.db2.gz OCYDTXUZKPQZEG-HNNXBMFYSA-N 1 1 270.380 2.916 10 0 CFAEMO C[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)COC(C)(C)C ZINC000246331778 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CCN(CC1CC1)[C@@H](c1cccc(OC)c1)[C@@H](C)[NH3+] ZINC000069237059 520969479 /nfs/dbraw/zinc/96/94/79/520969479.db2.gz CJNHLAGMBAPZPE-MLGOLLRUSA-N 1 1 262.397 2.815 10 0 CFAEMO CC[N@@H+](CC1CC1)[C@](C)(CN)Cc1ccc(OC)cc1 ZINC000069237411 520971324 /nfs/dbraw/zinc/97/13/24/520971324.db2.gz GDPONIUEYTXQJO-KRWDZBQOSA-N 1 1 276.424 2.687 10 0 CFAEMO CC[N@@H+](CCCCC(N)=S)Cc1ccccc1 ZINC000049582581 521000144 /nfs/dbraw/zinc/00/01/44/521000144.db2.gz GTTPPAVZIAQBOA-UHFFFAOYSA-N 1 1 250.411 2.965 10 0 CFAEMO CC[N@@H+](C[C@H](O)COCc1ccccc1)CC1CCC1 ZINC000230327903 521262040 /nfs/dbraw/zinc/26/20/40/521262040.db2.gz MHLMQZWBIWRXBH-KRWDZBQOSA-N 1 1 277.408 2.686 10 0 CFAEMO CCC(C)(C)[N@@H+](C)CC(=O)Nc1ccc(C)cc1N ZINC000069428605 521301813 /nfs/dbraw/zinc/30/18/13/521301813.db2.gz VOYYCXGSJLJQFJ-UHFFFAOYSA-N 1 1 263.385 2.636 10 0 CFAEMO CCC(C)(C)[N@@H+](C)C[C@@H](N)c1ccc(OC)cc1 ZINC000069430597 521304633 /nfs/dbraw/zinc/30/46/33/521304633.db2.gz NZBFKQOFISDYOB-CQSZACIVSA-N 1 1 250.386 2.815 10 0 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/nfs/dbraw/zinc/72/14/72/521721472.db2.gz KSCUDVVXDAIZJX-PWSUYJOCSA-N 1 1 254.324 2.710 10 0 CFAEMO CCc1ccccc1[C@@H]([NH2+]Cc1ccccc1)C(N)=O ZINC000052204087 521932933 /nfs/dbraw/zinc/93/29/33/521932933.db2.gz BOILJIUMUDTPBL-MRXNPFEDSA-N 1 1 268.360 2.565 10 0 CFAEMO C[NH2+]Cc1nnc(Cc2ccc3ccccc3c2)o1 ZINC000050615412 522158581 /nfs/dbraw/zinc/15/85/81/522158581.db2.gz VBYRGGZPPJABPK-UHFFFAOYSA-N 1 1 253.305 2.533 10 0 CFAEMO CCc1nc(C)c([C@H](C)[NH2+][C@@H]2CCCn3ncnc32)s1 ZINC000164642428 522234359 /nfs/dbraw/zinc/23/43/59/522234359.db2.gz DRAIOAQCZMBMGZ-GXSJLCMTSA-N 1 1 291.424 2.791 10 0 CFAEMO C[NH2+][C@@H](c1nnc(-c2ccoc2C)o1)c1ccccc1 ZINC000050617924 522374948 /nfs/dbraw/zinc/37/49/48/522374948.db2.gz PZUVNGJKKIZFOV-CYBMUJFWSA-N 1 1 269.304 2.947 10 0 CFAEMO CN[C@@H]1c2ccccc2OC[C@H]1[NH+]1CCC(C)(C)CC1 ZINC000061819815 522404040 /nfs/dbraw/zinc/40/40/40/522404040.db2.gz ZNLULOHBDCSGAZ-GDBMZVCRSA-N 1 1 274.408 2.830 10 0 CFAEMO C[NH2+][C@H](C)c1nnc(C23CC4CC(CC(C4)C2)C3)o1 ZINC000050618245 522455533 /nfs/dbraw/zinc/45/55/33/522455533.db2.gz OYGLCYJQHNXCEM-XBVVOLJWSA-N 1 1 261.369 2.818 10 0 CFAEMO C[NH2+][C@H](C)c1nnc(Cc2ccc(C(F)(F)F)cc2)o1 ZINC000050618231 522456405 /nfs/dbraw/zinc/45/64/05/522456405.db2.gz YCTOGGMKCBLYEN-MRVPVSSYSA-N 1 1 285.269 2.960 10 0 CFAEMO CCc1nc2ccccc2n1Cc1cc[nH+]c(N)c1 ZINC000062808101 522504842 /nfs/dbraw/zinc/50/48/42/522504842.db2.gz IWKHSCHANRZSMH-UHFFFAOYSA-N 1 1 252.321 2.624 10 0 CFAEMO COC[C@H](C)[N@H+](C)Cc1nc2sccc2c(Cl)n1 ZINC000050840239 522595748 /nfs/dbraw/zinc/59/57/48/522595748.db2.gz IFKRJQUEJXKATF-QMMMGPOBSA-N 1 1 285.800 2.811 10 0 CFAEMO COC[C@H](C)[N@@H+](C)Cc1nc2sccc2c(Cl)n1 ZINC000050840239 522595756 /nfs/dbraw/zinc/59/57/56/522595756.db2.gz IFKRJQUEJXKATF-QMMMGPOBSA-N 1 1 285.800 2.811 10 0 CFAEMO CNc1nc(C[N@@H+](C)[C@H](C)C2CC2)nc2sccc21 ZINC000050813765 522680572 /nfs/dbraw/zinc/68/05/72/522680572.db2.gz XPAMISDPOUEGPV-SECBINFHSA-N 1 1 276.409 2.963 10 0 CFAEMO CNc1nc2ccccc2cc1C[N@@H+](C)C[C@H]1CCCO1 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RKXZWJAFJFNWNH-DTWKUNHWSA-N 1 1 290.226 2.856 10 0 CFAEMO COc1ccc(C)cc1C[N@H+]1CCC[C@@H](C(C)=O)C1 ZINC000111690182 618048913 /nfs/dbraw/zinc/04/89/13/618048913.db2.gz UPBDLDZNXHNYJO-CQSZACIVSA-N 1 1 261.365 2.805 10 0 CFAEMO CCC[C@H]([NH3+])c1nc(Cc2cc(F)cc(F)c2)no1 ZINC000049347778 618054205 /nfs/dbraw/zinc/05/42/05/618054205.db2.gz PMUADCLWXGSDOT-NSHDSACASA-N 1 1 267.279 2.739 10 0 CFAEMO C/C(=C/C(=O)N1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000255308389 618189796 /nfs/dbraw/zinc/18/97/96/618189796.db2.gz REMUSIXFPSCNDE-KVNDZABWSA-N 1 1 288.366 2.536 10 0 CFAEMO c1nnc([C@H]2CCCC[N@H+]2C[C@@H]2CCOc3ccccc32)[nH]1 ZINC000895198414 618464038 /nfs/dbraw/zinc/46/40/38/618464038.db2.gz NWGBRGNWWSOHDQ-DZGCQCFKSA-N 1 1 298.390 2.898 10 0 CFAEMO c1nnc([C@H]2CCCC[N@@H+]2C[C@@H]2CCOc3ccccc32)[nH]1 ZINC000895198414 618464044 /nfs/dbraw/zinc/46/40/44/618464044.db2.gz NWGBRGNWWSOHDQ-DZGCQCFKSA-N 1 1 298.390 2.898 10 0 CFAEMO COC(=O)[C@@H]1C[N@@H+](CC2CCC(C)CC2)C[C@@H]1C ZINC000310744422 618620352 /nfs/dbraw/zinc/62/03/52/618620352.db2.gz ILCGXFBDOQAXBA-GNRIBBGQSA-N 1 1 253.386 2.554 10 0 CFAEMO C[C@@H](C[N@H+](C)Cc1ccccc1)NCc1ccoc1 ZINC000309695403 618908615 /nfs/dbraw/zinc/90/86/15/618908615.db2.gz DURFYSQJZJIDGP-AWEZNQCLSA-N 1 1 258.365 2.890 10 0 CFAEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NCc1ccoc1 ZINC000309695403 618908618 /nfs/dbraw/zinc/90/86/18/618908618.db2.gz DURFYSQJZJIDGP-AWEZNQCLSA-N 1 1 258.365 2.890 10 0 CFAEMO CC(C)(C)C(=O)CC[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000054026725 619118333 /nfs/dbraw/zinc/11/83/33/619118333.db2.gz WJIGZHMFXVJONO-QWHCGFSZSA-N 1 1 253.386 2.635 10 0 CFAEMO CCc1ccc(C[N@H+]2C[C@H](C)[C@H](C(=O)OC)C2)s1 ZINC000095019636 619143972 /nfs/dbraw/zinc/14/39/72/619143972.db2.gz PWDKQLWAXXYJFS-GXFFZTMASA-N 1 1 267.394 2.551 10 0 CFAEMO Cc1cc(Cl)cc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1O ZINC000183380625 625481603 /nfs/dbraw/zinc/48/16/03/625481603.db2.gz SWMNBCLQTQYITN-QWRGUYRKSA-N 1 1 269.772 2.963 10 0 CFAEMO CCCN(c1ccnc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000071332423 625504092 /nfs/dbraw/zinc/50/40/92/625504092.db2.gz QHXITJYVCFPERS-ZDUSSCGKSA-N 1 1 255.365 2.813 10 0 CFAEMO CCCCC[C@@H](C)NC(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000057792593 623010894 /nfs/dbraw/zinc/01/08/94/623010894.db2.gz BWJOZCAKFCERDA-ZIAGYGMSSA-N 1 1 269.433 2.739 10 0 CFAEMO c1cc2c(c(C[N@H+]3CCO[C@@H]4CCCC[C@H]43)c1)NCC2 ZINC000227294828 623103135 /nfs/dbraw/zinc/10/31/35/623103135.db2.gz FHTNUJMMEOILCO-HZPDHXFCSA-N 1 1 272.392 2.798 10 0 CFAEMO CCC[N@H+]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000060269226 623123204 /nfs/dbraw/zinc/12/32/04/623123204.db2.gz GBYSNLPZQCQGKM-GFCCVEGCSA-N 1 1 256.390 2.776 10 0 CFAEMO CCc1ccc(C[N@@H+]2C[C@H](C(=O)OC)[C@H](C)C2)s1 ZINC000228801523 623163247 /nfs/dbraw/zinc/16/32/47/623163247.db2.gz PWDKQLWAXXYJFS-MFKMUULPSA-N 1 1 267.394 2.551 10 0 CFAEMO C[C@@H]1C[N@@H+](C[C@H](O)c2cc3ccccc3o2)CCCO1 ZINC000061932817 623240932 /nfs/dbraw/zinc/24/09/32/623240932.db2.gz MYRORXNAGJOYDJ-OCCSQVGLSA-N 1 1 275.348 2.577 10 0 CFAEMO CC[N@H+]1CCC[C@H](NC(=O)/C=C(\C)c2cccc(F)c2)C1 ZINC000171808426 623244123 /nfs/dbraw/zinc/24/41/23/623244123.db2.gz NIQPAAICFNWWAV-ISBHARSQSA-N 1 1 290.382 2.830 10 0 CFAEMO Cc1cnc([C@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)o1 ZINC000230647416 623288449 /nfs/dbraw/zinc/28/84/49/623288449.db2.gz BZFCOOLOZIPBCN-GWCFXTLKSA-N 1 1 264.300 2.506 10 0 CFAEMO Cc1ccccc1OCC[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152440292 623707773 /nfs/dbraw/zinc/70/77/73/623707773.db2.gz GAZUOQSUMYVXIL-KRWDZBQOSA-N 1 1 298.386 2.922 10 0 CFAEMO Cc1ccc([C@@H](C)NC(=O)CCCn2cc[nH+]c2C)o1 ZINC000068575664 625010961 /nfs/dbraw/zinc/01/09/61/625010961.db2.gz IIXXARUZYRKFBH-GFCCVEGCSA-N 1 1 275.352 2.751 10 0 CFAEMO CC[N@H+]1CCC[C@H]([C@@H]2CC[C@@H](C(F)(F)F)NC2)C1 ZINC000757572517 630949098 /nfs/dbraw/zinc/94/90/98/630949098.db2.gz SGDOYCQTZQAWCC-WOPDTQHZSA-N 1 1 264.335 2.649 10 0 CFAEMO CCc1ccc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)s1 ZINC000113229192 635504892 /nfs/dbraw/zinc/50/48/92/635504892.db2.gz HQONVNWBWDTZCW-NWDGAFQWSA-N 1 1 278.421 2.619 10 0 CFAEMO FC(F)(F)c1ccc(N2CC[N@H+]3CCCC[C@@H]3C2)cn1 ZINC000214999212 650251736 /nfs/dbraw/zinc/25/17/36/650251736.db2.gz JUYMFQBBGVMYLP-GFCCVEGCSA-N 1 1 285.313 2.775 10 0 CFAEMO CC[N@H+]1CCC[C@H](NC(=O)Nc2ccc(Cl)nc2C)C1 ZINC000194575943 636791388 /nfs/dbraw/zinc/79/13/88/636791388.db2.gz WTWDKWJGDAHFJL-NSHDSACASA-N 1 1 296.802 2.649 10 0 CFAEMO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1c(Cl)cnn1C ZINC000188945530 650352683 /nfs/dbraw/zinc/35/26/83/650352683.db2.gz YMAKPSHPAANTEO-ZDUSSCGKSA-N 1 1 291.782 2.995 10 0 CFAEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(Cl)n1 ZINC000119602297 637765927 /nfs/dbraw/zinc/76/59/27/637765927.db2.gz INEHPPCYKYOELT-GFCCVEGCSA-N 1 1 295.814 2.585 10 0 CFAEMO Cc1cc(C)cc([C@H](O)C[N@@H+]2CCC[C@H]2c2cnn(C)c2)c1 ZINC000246764766 650882172 /nfs/dbraw/zinc/88/21/72/650882172.db2.gz QSJAQBXRICRWOU-ZWKOTPCHSA-N 1 1 299.418 2.907 10 0 CFAEMO COC(=O)[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1C ZINC000094996557 650966724 /nfs/dbraw/zinc/96/67/24/650966724.db2.gz PJVMBEADOBXBGA-MFKMUULPSA-N 1 1 267.756 2.581 10 0 CFAEMO CC/C=C(/C)C[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000096781196 650998792 /nfs/dbraw/zinc/99/87/92/650998792.db2.gz LTGQBIPIAUQJRS-CHHVJCJISA-N 1 1 272.392 2.801 10 0 CFAEMO C[C@](O)(C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O)c1ccccc1 ZINC000253095006 651037288 /nfs/dbraw/zinc/03/72/88/651037288.db2.gz OGPXTDXHGGGQMQ-TVFCKZIOSA-N 1 1 289.419 2.520 10 0 CFAEMO Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(N)nn2)cc1F ZINC000886072024 646854729 /nfs/dbraw/zinc/85/47/29/646854729.db2.gz YJJGJAJHWMACSD-HNNXBMFYSA-N 1 1 286.354 2.843 10 0 CFAEMO Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc(N)nn2)cc1F ZINC000886072024 646854737 /nfs/dbraw/zinc/85/47/37/646854737.db2.gz YJJGJAJHWMACSD-HNNXBMFYSA-N 1 1 286.354 2.843 10 0 CFAEMO CN(C)[C@H]1CC[N@H+](C[C@@H](O)c2ccc3ccccc3c2)C1 ZINC000220146802 647078176 /nfs/dbraw/zinc/07/81/76/647078176.db2.gz VMDNHKFCKHWHMD-ZWKOTPCHSA-N 1 1 284.403 2.509 10 0 CFAEMO CN(C)[C@H]1CC[N@@H+](C[C@@H](O)c2ccc3ccccc3c2)C1 ZINC000220146802 647078178 /nfs/dbraw/zinc/07/81/78/647078178.db2.gz VMDNHKFCKHWHMD-ZWKOTPCHSA-N 1 1 284.403 2.509 10 0 CFAEMO CC(C)(C)OC(=O)N1CC[NH2+]C[C@H]1c1cc(F)ccc1F ZINC000095752173 185025909 /nfs/dbraw/zinc/02/59/09/185025909.db2.gz IJWPUVLACAHXMD-ZDUSSCGKSA-N 1 1 298.333 2.846 10 0 CFAEMO Cc1cccnc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000124601934 187145216 /nfs/dbraw/zinc/14/52/16/187145216.db2.gz GZAWZYFZPORSHY-UAGQMJEPSA-N 1 1 274.408 2.906 10 0 CFAEMO Cc1cccnc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000095956643 185042667 /nfs/dbraw/zinc/04/26/67/185042667.db2.gz IGHAYYPTHATVDY-INIZCTEOSA-N 1 1 295.386 2.993 10 0 CFAEMO Cc1cccnc1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000095956643 185042668 /nfs/dbraw/zinc/04/26/68/185042668.db2.gz IGHAYYPTHATVDY-INIZCTEOSA-N 1 1 295.386 2.993 10 0 CFAEMO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CCc2ccccc21 ZINC000125183757 187173486 /nfs/dbraw/zinc/17/34/86/187173486.db2.gz KBDSSTPXHITYNG-GJZGRUSLSA-N 1 1 298.390 2.537 10 0 CFAEMO COc1c(C[N@H+](Cc2ccccc2)C2CC2)c(C)nn1C ZINC000125428111 187184189 /nfs/dbraw/zinc/18/41/89/187184189.db2.gz HODBGYJFFUMMEV-UHFFFAOYSA-N 1 1 285.391 2.902 10 0 CFAEMO COc1c(C[N@@H+](Cc2ccccc2)C2CC2)c(C)nn1C ZINC000125428111 187184190 /nfs/dbraw/zinc/18/41/90/187184190.db2.gz HODBGYJFFUMMEV-UHFFFAOYSA-N 1 1 285.391 2.902 10 0 CFAEMO CC[C@@H]1C[NH2+]C[C@@]12CCCN(Cc1ccccc1)C2 ZINC000096950599 185139526 /nfs/dbraw/zinc/13/95/26/185139526.db2.gz RVKLADLAEWNDNI-IAGOWNOFSA-N 1 1 258.409 2.898 10 0 CFAEMO CC[N@H+]1CCC[C@H](NC(=O)C[C@@H](C)CC(C)C)C1 ZINC000069392163 346891981 /nfs/dbraw/zinc/89/19/81/346891981.db2.gz HDJMSCBGBKRJSS-KBPBESRZSA-N 1 1 254.418 2.659 10 0 CFAEMO Cc1cc[nH+]c(N)c1-c1occc1Br ZINC000069942656 346904022 /nfs/dbraw/zinc/90/40/22/346904022.db2.gz FGDYHYSEVULKJG-UHFFFAOYSA-N 1 1 253.099 2.995 10 0 CFAEMO OCCC[C@@H]1CCC[N@H+]1C[C@@H]1CCC2(CCCC2)O1 ZINC000229393092 539452676 /nfs/dbraw/zinc/45/26/76/539452676.db2.gz ONWALRPGJDIIKU-GJZGRUSLSA-N 1 1 267.413 2.715 10 0 CFAEMO NC(=O)c1cccc(C[N@H+]2CCC[C@H]2c2ccco2)c1 ZINC000116289360 232194351 /nfs/dbraw/zinc/19/43/51/232194351.db2.gz GWQBIICCLMXCOL-AWEZNQCLSA-N 1 1 270.332 2.716 10 0 CFAEMO CCn1nccc1C[N@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000122774422 232199675 /nfs/dbraw/zinc/19/96/75/232199675.db2.gz FAAMUPLYPZJCEN-HNNXBMFYSA-N 1 1 287.411 2.590 10 0 CFAEMO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(F)cc1Cl ZINC000295121497 199356433 /nfs/dbraw/zinc/35/64/33/199356433.db2.gz XIURJXRXJJFFKG-TVQRCGJNSA-N 1 1 257.736 2.824 10 0 CFAEMO C[C@H]1[C@H](O)CCC[N@H+]1Cc1ccc(F)cc1Cl ZINC000295121497 199356435 /nfs/dbraw/zinc/35/64/35/199356435.db2.gz XIURJXRXJJFFKG-TVQRCGJNSA-N 1 1 257.736 2.824 10 0 CFAEMO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000090227155 539527843 /nfs/dbraw/zinc/52/78/43/539527843.db2.gz XHBOBNYLFVRYOO-CABCVRRESA-N 1 1 286.354 2.838 10 0 CFAEMO Cc1cccc(C)c1NC(=O)O[C@H]1CCC[N@H+](C)C1 ZINC000002010849 346205965 /nfs/dbraw/zinc/20/59/65/346205965.db2.gz YYEAOJQVTHGSAL-ZDUSSCGKSA-N 1 1 262.353 2.946 10 0 CFAEMO COc1ccc(C[NH2+]CC(=O)c2ccc(F)cc2)cc1 ZINC000034844595 346318993 /nfs/dbraw/zinc/31/89/93/346318993.db2.gz KVSAYLBSFCPYLA-UHFFFAOYSA-N 1 1 273.307 2.807 10 0 CFAEMO c1cc(-c2n[nH]c([C@H]3CCC[N@H+](C4CCCC4)C3)n2)ccn1 ZINC000065286901 346732586 /nfs/dbraw/zinc/73/25/86/346732586.db2.gz HTBXIPQKEQVDAI-AWEZNQCLSA-N 1 1 297.406 2.989 10 0 CFAEMO c1cc(-c2nnc([C@H]3CCC[N@@H+](C4CCCC4)C3)[nH]2)ccn1 ZINC000065286901 346732588 /nfs/dbraw/zinc/73/25/88/346732588.db2.gz HTBXIPQKEQVDAI-AWEZNQCLSA-N 1 1 297.406 2.989 10 0 CFAEMO c1cc(-c2nnc([C@H]3CCC[N@H+](C4CCCC4)C3)[nH]2)ccn1 ZINC000065286901 346732589 /nfs/dbraw/zinc/73/25/89/346732589.db2.gz HTBXIPQKEQVDAI-AWEZNQCLSA-N 1 1 297.406 2.989 10 0 CFAEMO Cc1ccc(C[NH+]2CCC(c3nc(C4CC4)n[nH]3)CC2)o1 ZINC000065287291 346732640 /nfs/dbraw/zinc/73/26/40/346732640.db2.gz FVNIWDCQPNQRCF-UHFFFAOYSA-N 1 1 286.379 2.963 10 0 CFAEMO Cc1ccc(C[NH+]2CCC(c3n[nH]c(C4CC4)n3)CC2)o1 ZINC000065287291 346732643 /nfs/dbraw/zinc/73/26/43/346732643.db2.gz FVNIWDCQPNQRCF-UHFFFAOYSA-N 1 1 286.379 2.963 10 0 CFAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cc(C)ns1 ZINC000404325745 539556407 /nfs/dbraw/zinc/55/64/07/539556407.db2.gz UYLRAHBSHGSONY-CHWSQXEVSA-N 1 1 265.426 2.510 10 0 CFAEMO CC[N@H+](Cc1ccoc1)C[C@H](O)COCc1ccccc1 ZINC000084963551 347477138 /nfs/dbraw/zinc/47/71/38/347477138.db2.gz SFORQQJBFBDPPR-KRWDZBQOSA-N 1 1 289.375 2.679 10 0 CFAEMO C[C@H](c1ccc[nH]1)[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000095089006 347697587 /nfs/dbraw/zinc/69/75/87/347697587.db2.gz RXKLRUJJSYWTFZ-CHWSQXEVSA-N 1 1 293.411 2.922 10 0 CFAEMO CC1(C)CCc2nc(C[NH2+]C3CC3)nc(Cl)c2C1 ZINC000114719385 347774247 /nfs/dbraw/zinc/77/42/47/347774247.db2.gz ZAOJLTVAWNIMEO-UHFFFAOYSA-N 1 1 265.788 2.897 10 0 CFAEMO CC(C)[C@@H]1CCC[N@@H+](C[C@H](O)COC(C)(C)C)CC1 ZINC000114803676 347775181 /nfs/dbraw/zinc/77/51/81/347775181.db2.gz DPUSJQQRBRKMHO-CABCVRRESA-N 1 1 271.445 2.921 10 0 CFAEMO c1ccc2c(CN[C@H]3CC[N@H+]4CCCC[C@H]34)ccnc2c1 ZINC000111763509 347756177 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CC[C@H](CC(=O)N1CC[N@@H+](CCOC)[C@H](CC)C1)C(C)C ZINC000117309873 347792063 /nfs/dbraw/zinc/79/20/63/347792063.db2.gz LBUSCEADJVDEJV-HZPDHXFCSA-N 1 1 298.471 2.628 10 0 CFAEMO CC(C)(C)OC(=O)C1=CC[N@@H+](Cc2ccccc2)C1 ZINC000141674757 347931771 /nfs/dbraw/zinc/93/17/71/347931771.db2.gz XTUOHFQOBOONRC-UHFFFAOYSA-N 1 1 259.349 2.770 10 0 CFAEMO C[C@H]([NH3+])c1ccc(CN2CCC(F)(F)CC2)cc1 ZINC000142162051 347933152 /nfs/dbraw/zinc/93/31/52/347933152.db2.gz CUFTXHOQDQKHPK-NSHDSACASA-N 1 1 254.324 2.937 10 0 CFAEMO CCOC(=O)C1=C(O)CC[N@@H+](CC2CCCCCCC2)C1 ZINC000137650099 347914058 /nfs/dbraw/zinc/91/40/58/347914058.db2.gz VFRAAVFPJUSOQS-HNNXBMFYSA-N 1 1 295.423 2.801 10 0 CFAEMO C[C@@H]1CS[C@@]2(CCC[N@H+](Cc3ccccc3)C2)N1 ZINC000159140293 348010559 /nfs/dbraw/zinc/01/05/59/348010559.db2.gz VODZBAQKHNNPBM-UKRRQHHQSA-N 1 1 262.422 2.704 10 0 CFAEMO C[C@@H]1CS[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)N1 ZINC000159140293 348010564 /nfs/dbraw/zinc/01/05/64/348010564.db2.gz VODZBAQKHNNPBM-UKRRQHHQSA-N 1 1 262.422 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FSMSPNQGILDUOM-LLVKDONJSA-N 1 1 292.370 2.878 10 0 CFAEMO OCC[N@H+]1CCC[C@@H](c2ccc3cnccc3c2)CC1 ZINC000616602170 352380263 /nfs/dbraw/zinc/38/02/63/352380263.db2.gz UGSSVZPFHAGOKV-CQSZACIVSA-N 1 1 270.376 2.797 10 0 CFAEMO OCC[N@H+]1CCC[C@@H](c2cnc3ccccc3c2)CC1 ZINC000616601246 352380402 /nfs/dbraw/zinc/38/04/02/352380402.db2.gz NGFLFQYVIZNRRL-CQSZACIVSA-N 1 1 270.376 2.797 10 0 CFAEMO CC(C)(C)[N@H+]1CCOC[C@@H]1c1ccc2nnccc2c1 ZINC000616601955 352380648 /nfs/dbraw/zinc/38/06/48/352380648.db2.gz QRKAMBPHNOIDIR-OAHLLOKOSA-N 1 1 271.364 2.802 10 0 CFAEMO CC(C)(C)[N@H+]1CCO[C@@H](c2cccc3nnccc32)C1 ZINC000616603359 352381494 /nfs/dbraw/zinc/38/14/94/352381494.db2.gz MXVCWURLWIRLAY-OAHLLOKOSA-N 1 1 271.364 2.802 10 0 CFAEMO c1n[nH]nc1[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC000616602992 352381681 /nfs/dbraw/zinc/38/16/81/352381681.db2.gz UTZSHLUWKFDNQN-AWEZNQCLSA-N 1 1 256.353 2.574 10 0 CFAEMO c1[nH]nnc1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000616602992 352381685 /nfs/dbraw/zinc/38/16/85/352381685.db2.gz UTZSHLUWKFDNQN-AWEZNQCLSA-N 1 1 256.353 2.574 10 0 CFAEMO c1[nH]nnc1[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC000616602992 352381690 /nfs/dbraw/zinc/38/16/90/352381690.db2.gz UTZSHLUWKFDNQN-AWEZNQCLSA-N 1 1 256.353 2.574 10 0 CFAEMO NCC[N@@H+]1CCCC[C@H](c2cncc3ccccc32)C1 ZINC000616604357 352382062 /nfs/dbraw/zinc/38/20/62/352382062.db2.gz MLXBIHDEMDFLQJ-HNNXBMFYSA-N 1 1 269.392 2.763 10 0 CFAEMO NCC[N@H+]1CCCC[C@H](c2cncc3ccccc32)C1 ZINC000616604357 352382066 /nfs/dbraw/zinc/38/20/66/352382066.db2.gz MLXBIHDEMDFLQJ-HNNXBMFYSA-N 1 1 269.392 2.763 10 0 CFAEMO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@@H]1c1cnoc1 ZINC000616614644 352384529 /nfs/dbraw/zinc/38/45/29/352384529.db2.gz GVGLXPIBLUZUEA-CYBMUJFWSA-N 1 1 295.383 2.726 10 0 CFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCCC[C@@H]1c1cnoc1 ZINC000616614644 352384531 /nfs/dbraw/zinc/38/45/31/352384531.db2.gz GVGLXPIBLUZUEA-CYBMUJFWSA-N 1 1 295.383 2.726 10 0 CFAEMO CC(C)(C)[N@H+]1CCC[C@@H](c2ccc(C(N)=O)cc2)C1 ZINC000616620196 352387113 /nfs/dbraw/zinc/38/71/13/352387113.db2.gz IJARZWJWIKBDIZ-CQSZACIVSA-N 1 1 260.381 2.763 10 0 CFAEMO CC[N@H+]1CCCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000616622102 352388015 /nfs/dbraw/zinc/38/80/15/352388015.db2.gz UAJLMTZLYUEZCV-LBPRGKRZSA-N 1 1 256.390 2.776 10 0 CFAEMO NCC[N@@H+]1CCC[C@H](c2cc3ccccc3cn2)CC1 ZINC000616627639 352390591 /nfs/dbraw/zinc/39/05/91/352390591.db2.gz IKXJRLVTTIXNDJ-AWEZNQCLSA-N 1 1 269.392 2.763 10 0 CFAEMO NCC[N@H+]1CCC[C@H](c2cc3ccccc3cn2)CC1 ZINC000616627639 352390593 /nfs/dbraw/zinc/39/05/93/352390593.db2.gz IKXJRLVTTIXNDJ-AWEZNQCLSA-N 1 1 269.392 2.763 10 0 CFAEMO CCOC(=O)c1ccc([C@H]2COCC[N@@H+]2C(C)C)cc1 ZINC000616636348 352394559 /nfs/dbraw/zinc/39/45/59/352394559.db2.gz DZKIUURQJNRFTB-OAHLLOKOSA-N 1 1 277.364 2.645 10 0 CFAEMO CCOC(=O)c1ccc([C@H]2COCC[N@H+]2C(C)C)cc1 ZINC000616636348 352394563 /nfs/dbraw/zinc/39/45/63/352394563.db2.gz DZKIUURQJNRFTB-OAHLLOKOSA-N 1 1 277.364 2.645 10 0 CFAEMO CC(=O)Nc1ccc([C@@H]2C[N@H+](C(C)(C)C)CCO2)cc1 ZINC000616645217 352396715 /nfs/dbraw/zinc/39/67/15/352396715.db2.gz ABEHBCBJYFVYNP-HNNXBMFYSA-N 1 1 276.380 2.817 10 0 CFAEMO c1cc([C@@H]2COCCC[N@H+]2Cc2ccccc2)on1 ZINC000616647836 352397501 /nfs/dbraw/zinc/39/75/01/352397501.db2.gz NGWVEQIUKZRQHV-AWEZNQCLSA-N 1 1 258.321 2.638 10 0 CFAEMO c1cc([C@@H]2COCCC[N@@H+]2Cc2ccccc2)on1 ZINC000616647836 352397505 /nfs/dbraw/zinc/39/75/05/352397505.db2.gz NGWVEQIUKZRQHV-AWEZNQCLSA-N 1 1 258.321 2.638 10 0 CFAEMO COc1cccc([C@@H]2c3ccccc3CC[N@@H+]2CCO)c1 ZINC000616678798 352408981 /nfs/dbraw/zinc/40/89/81/352408981.db2.gz LLPLYJKBHJSXRF-GOSISDBHSA-N 1 1 283.371 2.635 10 0 CFAEMO CC[N@H+]1C[C@H](C)[C@H](Nc2ccncc2Br)C1 ZINC000309455880 539883858 /nfs/dbraw/zinc/88/38/58/539883858.db2.gz MLGPTRBCHJTUMF-JOYOIKCWSA-N 1 1 284.201 2.596 10 0 CFAEMO OCc1cccc([C@@H]2COCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000616661775 352402869 /nfs/dbraw/zinc/40/28/69/352402869.db2.gz YVQBWWUGUOHROT-IBGZPJMESA-N 1 1 297.398 2.795 10 0 CFAEMO c1nocc1[C@H]1CCOCC[N@H+]1Cc1ccccc1 ZINC000616660105 352402882 /nfs/dbraw/zinc/40/28/82/352402882.db2.gz QTLSBHXUKCEYIZ-OAHLLOKOSA-N 1 1 258.321 2.638 10 0 CFAEMO c1nocc1[C@H]1CCOCC[N@@H+]1Cc1ccccc1 ZINC000616660105 352402884 /nfs/dbraw/zinc/40/28/84/352402884.db2.gz QTLSBHXUKCEYIZ-OAHLLOKOSA-N 1 1 258.321 2.638 10 0 CFAEMO Cc1cc(F)cc(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC000152995747 188057702 /nfs/dbraw/zinc/05/77/02/188057702.db2.gz YKHJNKWXXRUFNS-OAHLLOKOSA-N 1 1 291.370 2.836 10 0 CFAEMO CCc1ccccc1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000154268087 188132391 /nfs/dbraw/zinc/13/23/91/188132391.db2.gz YUGGTJRPMFVGDY-XJKSGUPXSA-N 1 1 274.408 2.708 10 0 CFAEMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1cncc(Cl)c1 ZINC000621258578 353310167 /nfs/dbraw/zinc/31/01/67/353310167.db2.gz QVVCVSXKVHSION-SWLSCSKDSA-N 1 1 279.815 2.794 10 0 CFAEMO CCOCC[N@@H+](CC)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000157609022 188328009 /nfs/dbraw/zinc/32/80/09/188328009.db2.gz GZYZAIFXLPIZMM-GJZGRUSLSA-N 1 1 292.423 2.611 10 0 CFAEMO CC[N@@H+](CC1CC1)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000157969505 188349499 /nfs/dbraw/zinc/34/94/99/188349499.db2.gz HEBQCUJBXDBPHR-KBPBESRZSA-N 1 1 274.408 2.984 10 0 CFAEMO Brc1cnsc1C[NH2+]Cc1ccc[nH]1 ZINC000667413114 540066149 /nfs/dbraw/zinc/06/61/49/540066149.db2.gz PRROAQHUYXJADZ-UHFFFAOYSA-N 1 1 272.171 2.524 10 0 CFAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccccc1 ZINC000174609815 188909394 /nfs/dbraw/zinc/90/93/94/188909394.db2.gz HJPARJKHSKTEBZ-LSDHHAIUSA-N 1 1 273.380 2.777 10 0 CFAEMO C[C@H]1[C@H](O)CCC[N@H+]1Cc1cnc2ccccc2c1 ZINC000294712052 199147467 /nfs/dbraw/zinc/14/74/67/199147467.db2.gz BZVWAPNHJHEDMA-BLLLJJGKSA-N 1 1 256.349 2.580 10 0 CFAEMO C[C@@H]([NH2+][C@H]1CCCn2ncnc21)c1cccc(F)c1 ZINC000176684455 189004354 /nfs/dbraw/zinc/00/43/54/189004354.db2.gz HYGCVLXUNWLZCH-MFKMUULPSA-N 1 1 260.316 2.603 10 0 CFAEMO CCc1ccc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000176963611 189017541 /nfs/dbraw/zinc/01/75/41/189017541.db2.gz PWZSVUYVVCAPJU-INIZCTEOSA-N 1 1 274.408 2.805 10 0 CFAEMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]([C@@H](C)c3ccccn3)C2)n1 ZINC000177138215 189031229 /nfs/dbraw/zinc/03/12/29/189031229.db2.gz OTZBKYACKWUALC-XJKSGUPXSA-N 1 1 299.422 2.763 10 0 CFAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)CCC1CCC1 ZINC000177189172 189035203 /nfs/dbraw/zinc/03/52/03/189035203.db2.gz KLCIVBWLDRDNGV-OAHLLOKOSA-N 1 1 275.396 2.763 10 0 CFAEMO Fc1ccc2c(c1)[C@@H]([N@H+]1CCC[C@H](n3cncn3)C1)CC2 ZINC000177707546 189064410 /nfs/dbraw/zinc/06/44/10/189064410.db2.gz JVXPLCZQILFFQG-HOCLYGCPSA-N 1 1 286.354 2.742 10 0 CFAEMO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1cccnc1Cl ZINC000178309804 189105761 /nfs/dbraw/zinc/10/57/61/189105761.db2.gz SSHTUPVLDFXRLV-AWEZNQCLSA-N 1 1 290.798 2.905 10 0 CFAEMO C[C@H](CCC(=O)N1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000178781173 189145256 /nfs/dbraw/zinc/14/52/56/189145256.db2.gz FZQNTLOEAFMZBM-NVXWUHKLSA-N 1 1 286.419 2.877 10 0 CFAEMO Cc1nccn1C[C@@H]1CCC[N@H+]1CCc1ccccc1 ZINC000178754358 189143254 /nfs/dbraw/zinc/14/32/54/189143254.db2.gz UALJLXHPHCCKQE-KRWDZBQOSA-N 1 1 269.392 2.899 10 0 CFAEMO CCC(CC)[N@@H+](CCOC)C[C@@H]1CCC[C@@H](O)C1 ZINC000385307642 540811290 /nfs/dbraw/zinc/81/12/90/540811290.db2.gz ZQHOQMHYSQFWME-UKRRQHHQSA-N 1 1 257.418 2.675 10 0 CFAEMO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccco1 ZINC000179201363 189177004 /nfs/dbraw/zinc/17/70/04/189177004.db2.gz OYSPVLLEXKMECN-XBFCOCLRSA-N 1 1 263.337 2.586 10 0 CFAEMO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccco1 ZINC000179201363 189177005 /nfs/dbraw/zinc/17/70/05/189177005.db2.gz OYSPVLLEXKMECN-XBFCOCLRSA-N 1 1 263.337 2.586 10 0 CFAEMO CC(C)n1cc(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)cn1 ZINC000179445469 189194905 /nfs/dbraw/zinc/19/49/05/189194905.db2.gz PGJZHOGLAVYQSE-HNNXBMFYSA-N 1 1 273.384 2.535 10 0 CFAEMO CC(C)n1cc(C[N@H+]2CCC[C@H]2c2cnn(C)c2)cn1 ZINC000179445469 189194906 /nfs/dbraw/zinc/19/49/06/189194906.db2.gz PGJZHOGLAVYQSE-HNNXBMFYSA-N 1 1 273.384 2.535 10 0 CFAEMO Cn1c(C[NH2+]C(C)(C)c2cccc(F)c2)nnc1C1CC1 ZINC000179565113 189202554 /nfs/dbraw/zinc/20/25/54/189202554.db2.gz XNIKDYHKGIBFKD-UHFFFAOYSA-N 1 1 288.370 2.857 10 0 CFAEMO CCc1nnc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)s1 ZINC000685005607 540897301 /nfs/dbraw/zinc/89/73/01/540897301.db2.gz IRFRYVFAAFLHQN-XQQFMLRXSA-N 1 1 295.452 2.616 10 0 CFAEMO COc1cccc(C[N@H+]2CCC[C@@H]2CCCO)c1F ZINC000166459833 540939531 /nfs/dbraw/zinc/93/95/31/540939531.db2.gz HBXRLLWLLUDASC-CYBMUJFWSA-N 1 1 267.344 2.571 10 0 CFAEMO Cc1cnn([C@@H]2CCC[N@@H+](Cc3cccc4nccn43)C2)c1 ZINC000180140403 189239505 /nfs/dbraw/zinc/23/95/05/189239505.db2.gz JXFYBRPTBORASS-MRXNPFEDSA-N 1 1 295.390 2.676 10 0 CFAEMO Cn1cc([C@H]2CC[N@@H+](CCCc3cccc(F)c3)C2)cn1 ZINC000182794673 189335439 /nfs/dbraw/zinc/33/54/39/189335439.db2.gz PJOKCGLCRBQDCP-HNNXBMFYSA-N 1 1 287.382 2.981 10 0 CFAEMO Cc1ccc([C@H](C)[NH2+]CC(=O)N(C)c2ccccc2)o1 ZINC000183066321 189345070 /nfs/dbraw/zinc/34/50/70/189345070.db2.gz XVDBUFCUXNOVIO-ZDUSSCGKSA-N 1 1 272.348 2.902 10 0 CFAEMO CCOC(=O)[C@@H]1CC[C@@H](Nc2[nH]c3ccccc3[nH+]2)C1 ZINC000301887577 201249962 /nfs/dbraw/zinc/24/99/62/201249962.db2.gz PPMPCDARTPBGGF-GHMZBOCLSA-N 1 1 273.336 2.707 10 0 CFAEMO CCOC(=O)CC[C@H](C)Nc1[nH]c2ccccc2[nH+]1 ZINC000301892229 201251443 /nfs/dbraw/zinc/25/14/43/201251443.db2.gz RXAGALXKXQVFCG-JTQLQIEISA-N 1 1 261.325 2.707 10 0 CFAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1c1nc(C(C)C)ns1 ZINC000301946079 201272304 /nfs/dbraw/zinc/27/23/04/201272304.db2.gz BRKANFOOCASHDB-LBPRGKRZSA-N 1 1 291.424 2.835 10 0 CFAEMO CCCN(Cc1ccccc1)CC(F)(F)C[NH2+]C ZINC000685957887 541469387 /nfs/dbraw/zinc/46/93/87/541469387.db2.gz KGXUDCVGDAGKSX-UHFFFAOYSA-N 1 1 256.340 2.753 10 0 CFAEMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C/C=C/Cl ZINC000178515787 284163926 /nfs/dbraw/zinc/16/39/26/284163926.db2.gz URLDOIMFQVXIJQ-VRJDWZKZSA-N 1 1 257.761 2.545 10 0 CFAEMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C/C=C/Cl ZINC000178515787 284163928 /nfs/dbraw/zinc/16/39/28/284163928.db2.gz URLDOIMFQVXIJQ-VRJDWZKZSA-N 1 1 257.761 2.545 10 0 CFAEMO Nc1cc(-c2ccc(-c3ccccc3)cc2)[nH+]c(N)n1 ZINC000013283434 372021535 /nfs/dbraw/zinc/02/15/35/372021535.db2.gz OGPCEPYUFGPINK-UHFFFAOYSA-N 1 1 262.316 2.975 10 0 CFAEMO C[N@@H+](CCc1ccccc1)[C@@H]1CCCN(Cc2ccon2)C1 ZINC000019229329 372151518 /nfs/dbraw/zinc/15/15/18/372151518.db2.gz JNZUVHJWKMZQOP-GOSISDBHSA-N 1 1 299.418 2.814 10 0 CFAEMO COc1ccccc1/C=C/CN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000019575686 372176617 /nfs/dbraw/zinc/17/66/17/372176617.db2.gz GSCZTLGLYFMIST-JDMOEDKQSA-N 1 1 286.419 2.877 10 0 CFAEMO CC(C)[N@H+]1CCc2c(sc3[nH]c(=S)nc(N)c23)C1 ZINC000033286251 372487801 /nfs/dbraw/zinc/48/78/01/372487801.db2.gz SHTHIHMCBQQELU-UHFFFAOYSA-N 1 1 280.422 2.703 10 0 CFAEMO C[C@@H]([NH3+])c1nnc(SCc2ccc(F)cc2)o1 ZINC000033919781 372502824 /nfs/dbraw/zinc/50/28/24/372502824.db2.gz JSDJNGDMZBWLHA-SSDOTTSWSA-N 1 1 253.302 2.521 10 0 CFAEMO [NH3+][C@@H](CCc1ccccc1)C(=O)OCc1ccccc1 ZINC000034614832 372510615 /nfs/dbraw/zinc/51/06/15/372510615.db2.gz VYEIIPLQOBKTAZ-INIZCTEOSA-N 1 1 269.344 2.690 10 0 in-vitro CFAEMO CC[NH+](CC)CC(=O)c1ccccc1Br ZINC000034988989 372525369 /nfs/dbraw/zinc/52/53/69/372525369.db2.gz IFRUQQQNIJTGTK-UHFFFAOYSA-N 1 1 270.170 2.974 10 0 CFAEMO CCC[N@H+](Cc1ccccc1C)C[C@H](O)COC(C)C ZINC000036099952 372557564 /nfs/dbraw/zinc/55/75/64/372557564.db2.gz UAJRTBYHPLQPKY-KRWDZBQOSA-N 1 1 279.424 2.993 10 0 CFAEMO COc1cccc(C[N@@H+](C[C@H](O)COC(C)C)C(C)C)c1 ZINC000036098317 372559014 /nfs/dbraw/zinc/55/90/14/372559014.db2.gz PNKULLYFHJLSOZ-INIZCTEOSA-N 1 1 295.423 2.692 10 0 CFAEMO Cc1[nH+]ccn1-c1cc(Br)ccc1C=O ZINC000036670393 372585066 /nfs/dbraw/zinc/58/50/66/372585066.db2.gz QAUZIKCNYBXUGB-UHFFFAOYSA-N 1 1 265.110 2.756 10 0 CFAEMO Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)c2nncn2C)c1 ZINC000037016628 372631349 /nfs/dbraw/zinc/63/13/49/372631349.db2.gz WIMSUQBODBULGJ-STQMWFEESA-N 1 1 258.369 2.844 10 0 CFAEMO CC[N@H+]1CCC[C@@H](NC(=O)N(C)Cc2ccc(C)cc2)C1 ZINC000052593268 373447169 /nfs/dbraw/zinc/44/71/69/373447169.db2.gz 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C[C@@H]1CC[N@@H+](Cc2c(N)cccc2Br)C1 ZINC000040716916 174384639 /nfs/dbraw/zinc/38/46/39/174384639.db2.gz PSADTVUSNJKWTE-SECBINFHSA-N 1 1 269.186 2.873 10 0 CFAEMO C[C@H]1CC[N@@H+](CCC(=O)Nc2cc(Cl)ccc2N)C1 ZINC000040716881 174384655 /nfs/dbraw/zinc/38/46/55/174384655.db2.gz VIWLZULTKLQZQQ-JTQLQIEISA-N 1 1 281.787 2.593 10 0 CFAEMO CC(C)Oc1ccc([C@@H](N)C[N@H+]2CC[C@@H](C)C2)cc1 ZINC000040718049 174384851 /nfs/dbraw/zinc/38/48/51/174384851.db2.gz LRYBKSSJBZJDDW-CJNGLKHVSA-N 1 1 262.397 2.815 10 0 CFAEMO CC(C)Oc1ccc([C@@H]([NH3+])CN2CC[C@@H](C)C2)cc1 ZINC000040718049 174384852 /nfs/dbraw/zinc/38/48/52/174384852.db2.gz LRYBKSSJBZJDDW-CJNGLKHVSA-N 1 1 262.397 2.815 10 0 CFAEMO CC(C)CCNc1[nH+]cnc(N2CCCCCC2)c1N ZINC000040725638 174387032 /nfs/dbraw/zinc/38/70/32/174387032.db2.gz VZSMKBBWZPCWIN-UHFFFAOYSA-N 1 1 277.416 2.897 10 0 CFAEMO CC(C)CCNc1nc[nH+]c(N2CCCCCC2)c1N ZINC000040725638 174387033 /nfs/dbraw/zinc/38/70/33/174387033.db2.gz VZSMKBBWZPCWIN-UHFFFAOYSA-N 1 1 277.416 2.897 10 0 CFAEMO CN(Cc1c[nH]c2ccccc12)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746500 174391516 /nfs/dbraw/zinc/39/15/16/174391516.db2.gz PLYABIKLOAKNLA-YIONKMFJSA-N 1 1 269.392 2.883 10 0 CFAEMO CCN(CCOc1ccccc1C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748218 174393028 /nfs/dbraw/zinc/39/30/28/174393028.db2.gz NWHNCPHLQLVSIJ-SJPCQFCGSA-N 1 1 288.435 2.979 10 0 CFAEMO CCCn1ccnc1[C@@H]([NH2+]CC)c1ccc2c(c1)OCO2 ZINC000041113929 174483424 /nfs/dbraw/zinc/48/34/24/174483424.db2.gz WKVKJESPEUTPGF-HNNXBMFYSA-N 1 1 287.363 2.721 10 0 CFAEMO C[NH2+][C@]1(c2nc3c(s2)CCC3)CCOc2ccccc21 ZINC000041187621 174507623 /nfs/dbraw/zinc/50/76/23/174507623.db2.gz AXWVONFQKHTISU-MRXNPFEDSA-N 1 1 286.400 2.877 10 0 CFAEMO [NH3+][C@H]1C(=O)N(CC2CCCCC2)c2cc(F)cc(F)c21 ZINC000042134770 174639522 /nfs/dbraw/zinc/63/95/22/174639522.db2.gz FKXIQDCHZDLNFV-CQSZACIVSA-N 1 1 280.318 2.892 10 0 CFAEMO CC[C@@H](N)[C@@H](c1ccccn1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000043338890 175012942 /nfs/dbraw/zinc/01/29/42/175012942.db2.gz 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175027583 /nfs/dbraw/zinc/02/75/83/175027583.db2.gz MAUJPEUEKFOYEQ-MWLCHTKSSA-N 1 1 266.370 2.585 10 0 CFAEMO CC[C@@H]([NH3+])[C@@H](Sc1nc(C)n[nH]1)c1ccc(C)o1 ZINC000043367744 175027585 /nfs/dbraw/zinc/02/75/85/175027585.db2.gz MAUJPEUEKFOYEQ-MWLCHTKSSA-N 1 1 266.370 2.585 10 0 CFAEMO CCC[C@H]([NH3+])c1nc(-c2cc(F)cc(F)c2)no1 ZINC000043387350 175032403 /nfs/dbraw/zinc/03/24/03/175032403.db2.gz CVLZYIGGVPQJLG-JTQLQIEISA-N 1 1 253.252 2.815 10 0 CFAEMO CCOc1ccc(N)cc1C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000043424000 175040345 /nfs/dbraw/zinc/04/03/45/175040345.db2.gz QXWPANZSBBSWBS-DOTOQJQBSA-N 1 1 290.407 2.811 10 0 CFAEMO CCOc1ccc(N)cc1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000043424000 175040347 /nfs/dbraw/zinc/04/03/47/175040347.db2.gz QXWPANZSBBSWBS-DOTOQJQBSA-N 1 1 290.407 2.811 10 0 CFAEMO c1cc2c(cc1C[N@H+]1CCO[C@@H]3CCC[C@@H]31)CCCN2 ZINC000043428049 175041446 /nfs/dbraw/zinc/04/14/46/175041446.db2.gz JQPRTFVGKOQHPC-DLBZAZTESA-N 1 1 272.392 2.798 10 0 CFAEMO CC[N@H+](Cc1cc(F)ccc1F)C[C@H](C)C(N)=S ZINC000043458728 175050642 /nfs/dbraw/zinc/05/06/42/175050642.db2.gz SNMAUGQYLYBKKK-VIFPVBQESA-N 1 1 272.364 2.709 10 0 CFAEMO COc1ccc2nc(SCC3CC[NH2+]CC3)[nH]c2c1 ZINC000043498097 175058030 /nfs/dbraw/zinc/05/80/30/175058030.db2.gz DMZYAOMZSBPAMD-UHFFFAOYSA-N 1 1 277.393 2.663 10 0 CFAEMO C[C@H](C[C@H](CN)[N@@H+](C)C1CCOCC1)c1ccccc1 ZINC000043534841 175062647 /nfs/dbraw/zinc/06/26/47/175062647.db2.gz ZYVLXSJSJMNNFE-RHSMWYFYSA-N 1 1 276.424 2.618 10 0 CFAEMO C[C@H](C[C@H](C[NH3+])N(C)C1CCOCC1)c1ccccc1 ZINC000043534841 175062648 /nfs/dbraw/zinc/06/26/48/175062648.db2.gz ZYVLXSJSJMNNFE-RHSMWYFYSA-N 1 1 276.424 2.618 10 0 CFAEMO C[C@H](C[C@@H](CN)[N@@H+]1CCCSCC1)c1ccccc1 ZINC000043534896 175063102 /nfs/dbraw/zinc/06/31/02/175063102.db2.gz WDBFETWMCGJHDA-ZBFHGGJFSA-N 1 1 278.465 2.946 10 0 CFAEMO C[C@H](C[C@@H](CN)[N@H+]1CCCSCC1)c1ccccc1 ZINC000043534896 175063103 /nfs/dbraw/zinc/06/31/03/175063103.db2.gz WDBFETWMCGJHDA-ZBFHGGJFSA-N 1 1 278.465 2.946 10 0 CFAEMO C(C[C@H]1CCC[NH2+]C1)c1n[nH]c(C2CCCCC2)n1 ZINC000043586738 175072377 /nfs/dbraw/zinc/07/23/77/175072377.db2.gz JOAWPVQOSDLDFR-GFCCVEGCSA-N 1 1 262.401 2.785 10 0 CFAEMO C(C[C@H]1CCC[NH2+]C1)c1nnc(C2CCCCC2)[nH]1 ZINC000043586738 175072379 /nfs/dbraw/zinc/07/23/79/175072379.db2.gz JOAWPVQOSDLDFR-GFCCVEGCSA-N 1 1 262.401 2.785 10 0 CFAEMO CCC1CC[NH+](C[C@@H]2NCCc3ccccc32)CC1 ZINC000043596184 175076538 /nfs/dbraw/zinc/07/65/38/175076538.db2.gz VIIPRRKGMVGOOF-KRWDZBQOSA-N 1 1 258.409 2.995 10 0 CFAEMO CC[N@H+]1CCC[C@@H]1CNc1ccc(N)cc1Br ZINC000043596637 175076748 /nfs/dbraw/zinc/07/67/48/175076748.db2.gz RUINFPNOHBZTIB-LLVKDONJSA-N 1 1 298.228 2.928 10 0 CFAEMO CCOC(=O)[C@@H](C)[N@H+](Cc1cccs1)C(C)C ZINC000043638779 175084175 /nfs/dbraw/zinc/08/41/75/175084175.db2.gz DXHRPNVNUARTFH-LLVKDONJSA-N 1 1 255.383 2.910 10 0 CFAEMO CCOC(=O)[C@@H](C)[N@@H+](Cc1cccs1)C(C)C ZINC000043638779 175084177 /nfs/dbraw/zinc/08/41/77/175084177.db2.gz DXHRPNVNUARTFH-LLVKDONJSA-N 1 1 255.383 2.910 10 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XULINNHJTFVCPU-XYPHTWIQSA-N 1 1 258.409 2.994 10 0 CFAEMO CCN[C@@H]1c2ccccc2OC[C@@H]1[NH+]1CCCCCC1 ZINC000043812237 175110786 /nfs/dbraw/zinc/11/07/86/175110786.db2.gz ZHVWLPNQONVTBQ-DOTOQJQBSA-N 1 1 274.408 2.974 10 0 CFAEMO CCN[C@@H](C[N@H+](C)C(C)C)c1ccc(OC)cc1OC ZINC000043813307 175110900 /nfs/dbraw/zinc/11/09/00/175110900.db2.gz CLHZZUPGKFEBMO-HNNXBMFYSA-N 1 1 280.412 2.695 10 0 CFAEMO CCN[C@@H](C[N@@H+](C)C(C)C)c1ccc(OC)cc1OC ZINC000043813307 175110901 /nfs/dbraw/zinc/11/09/01/175110901.db2.gz CLHZZUPGKFEBMO-HNNXBMFYSA-N 1 1 280.412 2.695 10 0 CFAEMO CCN[C@H](C[N@H+](C)C(C)C)c1cc(C)ccc1OC ZINC000043813513 175111795 /nfs/dbraw/zinc/11/17/95/175111795.db2.gz QJIBEFASYCHGAZ-OAHLLOKOSA-N 1 1 264.413 2.994 10 0 CFAEMO CCN[C@H](C[N@@H+](C)C(C)C)c1cc(C)ccc1OC ZINC000043813513 175111796 /nfs/dbraw/zinc/11/17/96/175111796.db2.gz QJIBEFASYCHGAZ-OAHLLOKOSA-N 1 1 264.413 2.994 10 0 CFAEMO CCCC[N@H+](C)C[C@H](NC)c1ccc(OC)cc1 ZINC000043816717 175112155 /nfs/dbraw/zinc/11/21/55/175112155.db2.gz XSHNCYVGBOMZHE-HNNXBMFYSA-N 1 1 250.386 2.688 10 0 CFAEMO CCCC[N@@H+](C)C[C@H](NC)c1ccc(OC)cc1 ZINC000043816717 175112157 /nfs/dbraw/zinc/11/21/57/175112157.db2.gz XSHNCYVGBOMZHE-HNNXBMFYSA-N 1 1 250.386 2.688 10 0 CFAEMO CN[C@H](C[NH+]1CCCCCCC1)c1ccc2c(c1)OCO2 ZINC000043819050 175113804 /nfs/dbraw/zinc/11/38/04/175113804.db2.gz GWAOMYXALVPISH-OAHLLOKOSA-N 1 1 290.407 2.942 10 0 CFAEMO CN[C@@H](C[N@@H+](C)C1CCCC1)c1ccc(OC)cc1OC ZINC000043883542 175116202 /nfs/dbraw/zinc/11/62/02/175116202.db2.gz BSGDZRXSUYTBHC-INIZCTEOSA-N 1 1 292.423 2.839 10 0 CFAEMO C[NH2+][C@@H](CN(C)C1CCCC1)c1ccc(OC)cc1OC ZINC000043883542 175116203 /nfs/dbraw/zinc/11/62/03/175116203.db2.gz BSGDZRXSUYTBHC-INIZCTEOSA-N 1 1 292.423 2.839 10 0 CFAEMO CCC[N@H+](C[C@@H](NC)c1cccc(OC)c1)C1CC1 ZINC000043885387 175116390 /nfs/dbraw/zinc/11/63/90/175116390.db2.gz WYDHPSGPQHZPLG-MRXNPFEDSA-N 1 1 262.397 2.830 10 0 CFAEMO CCC[N@@H+](C[C@@H](NC)c1cccc(OC)c1)C1CC1 ZINC000043885387 175116392 /nfs/dbraw/zinc/11/63/92/175116392.db2.gz WYDHPSGPQHZPLG-MRXNPFEDSA-N 1 1 262.397 2.830 10 0 CFAEMO CCC[N@H+](C[C@H](NC)c1ccccc1OC)C1CC1 ZINC000043885357 175116628 /nfs/dbraw/zinc/11/66/28/175116628.db2.gz UPSKVEFXFIBCMD-HNNXBMFYSA-N 1 1 262.397 2.830 10 0 CFAEMO CCC[N@@H+](C[C@H](NC)c1ccccc1OC)C1CC1 ZINC000043885357 175116629 /nfs/dbraw/zinc/11/66/29/175116629.db2.gz UPSKVEFXFIBCMD-HNNXBMFYSA-N 1 1 262.397 2.830 10 0 CFAEMO CCC[N@H+](C)C[C@H](NCC)c1ccc(OC)cc1OC ZINC000043886036 175116835 /nfs/dbraw/zinc/11/68/35/175116835.db2.gz GPHCPVRCGQTQMP-HNNXBMFYSA-N 1 1 280.412 2.696 10 0 CFAEMO CCC[N@@H+](C)C[C@H](NCC)c1ccc(OC)cc1OC ZINC000043886036 175116836 /nfs/dbraw/zinc/11/68/36/175116836.db2.gz GPHCPVRCGQTQMP-HNNXBMFYSA-N 1 1 280.412 2.696 10 0 CFAEMO CCC[N@H+](CC)C[C@@H](NC)c1ccc(OC)c(OC)c1 ZINC000043884435 175117008 /nfs/dbraw/zinc/11/70/08/175117008.db2.gz FVEUDLMHQIUMPN-CQSZACIVSA-N 1 1 280.412 2.696 10 0 CFAEMO CCC[N@@H+](CC)C[C@@H](NC)c1ccc(OC)c(OC)c1 ZINC000043884435 175117010 /nfs/dbraw/zinc/11/70/10/175117010.db2.gz FVEUDLMHQIUMPN-CQSZACIVSA-N 1 1 280.412 2.696 10 0 CFAEMO CCC[NH2+][C@@H]1CCC2(C[C@@H]1N(CCC)C(C)C)OCCO2 ZINC000043885282 175117071 /nfs/dbraw/zinc/11/70/71/175117071.db2.gz OMOLUNNVKUHNRP-CVEARBPZSA-N 1 1 298.471 2.771 10 0 CFAEMO CC[C@@H]1CCC[N@@H+]([C@@H]2COc3ccccc3[C@@H]2NC)C1 ZINC000043896704 175119161 /nfs/dbraw/zinc/11/91/61/175119161.db2.gz IWVLUVXTNSFJLF-UNEWFSDZSA-N 1 1 274.408 2.830 10 0 CFAEMO CC[C@@H]1CCC[N@H+]([C@@H]2COc3ccccc3[C@@H]2NC)C1 ZINC000043896704 175119162 /nfs/dbraw/zinc/11/91/62/175119162.db2.gz IWVLUVXTNSFJLF-UNEWFSDZSA-N 1 1 274.408 2.830 10 0 CFAEMO CN[C@H]1c2ccccc2CCC[C@H]1[N@H+](C)C1CCOCC1 ZINC000043898100 175121194 /nfs/dbraw/zinc/12/11/94/175121194.db2.gz DUWOXQMUTVLHDS-MSOLQXFVSA-N 1 1 288.435 2.763 10 0 CFAEMO CN[C@H]1c2ccccc2CCC[C@H]1[N@@H+](C)C1CCOCC1 ZINC000043898100 175121195 /nfs/dbraw/zinc/12/11/95/175121195.db2.gz DUWOXQMUTVLHDS-MSOLQXFVSA-N 1 1 288.435 2.763 10 0 CFAEMO CCC[NH2+][C@H]1CCOC[C@@H]1N(CC(C)C)CC(C)C ZINC000043909739 175123136 /nfs/dbraw/zinc/12/31/36/175123136.db2.gz MANAINIJIMGZAR-HOTGVXAUSA-N 1 1 270.461 2.758 10 0 CFAEMO CCC(CC)C[N@H+](CC)[C@H]1CC2(CC[C@@H]1NC)OCCO2 ZINC000043967078 175128417 /nfs/dbraw/zinc/12/84/17/175128417.db2.gz WDOSVBCICGNCRH-HOTGVXAUSA-N 1 1 298.471 2.628 10 0 CFAEMO CCC(CC)C[N@@H+](CC)[C@H]1CC2(CC[C@@H]1NC)OCCO2 ZINC000043967078 175128418 /nfs/dbraw/zinc/12/84/18/175128418.db2.gz WDOSVBCICGNCRH-HOTGVXAUSA-N 1 1 298.471 2.628 10 0 CFAEMO CCN[C@@H]1c2ccccc2C[C@@H]1[N@H+](CCOC)CC(C)C ZINC000043970419 175131249 /nfs/dbraw/zinc/13/12/49/175131249.db2.gz MGWYIXRDYAPZBG-ZWKOTPCHSA-N 1 1 290.451 2.866 10 0 CFAEMO CCN[C@@H]1c2ccccc2C[C@@H]1[N@@H+](CCOC)CC(C)C ZINC000043970419 175131250 /nfs/dbraw/zinc/13/12/50/175131250.db2.gz MGWYIXRDYAPZBG-ZWKOTPCHSA-N 1 1 290.451 2.866 10 0 CFAEMO CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N(CCOC)CC(C)C ZINC000043970373 175131570 /nfs/dbraw/zinc/13/15/70/175131570.db2.gz KSDBZNDKJQTAQE-PMPSAXMXSA-N 1 1 270.461 2.758 10 0 CFAEMO CCC[C@@H]([NH2+]C)[C@@H](CC)N(CCOC)[C@@H](C)CC ZINC000043973192 175132409 /nfs/dbraw/zinc/13/24/09/175132409.db2.gz QCPXHYHLRSKHBM-RRFJBIMHSA-N 1 1 258.450 2.900 10 0 CFAEMO CCc1ccc([C@H](O)[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000044117377 175142149 /nfs/dbraw/zinc/14/21/49/175142149.db2.gz PQVWLIRZTNYFSJ-QDEZUTFSSA-N 1 1 277.408 2.780 10 0 CFAEMO COc1ccc([C@@H](O)[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000044117774 175142323 /nfs/dbraw/zinc/14/23/23/175142323.db2.gz KXZXMJYKYDJXLT-WWGRRREGSA-N 1 1 263.381 2.849 10 0 CFAEMO CCC[N@@H+](CC)Cc1cc([C@@H](C)O)ccc1OC ZINC000044130637 175144596 /nfs/dbraw/zinc/14/45/96/175144596.db2.gz QFDFPFQGPLMQFZ-GFCCVEGCSA-N 1 1 251.370 2.980 10 0 CFAEMO CCC[N@@H+](C[C@H](O)c1ccccc1OCC)C1CC1 ZINC000044130945 175144623 /nfs/dbraw/zinc/14/46/23/175144623.db2.gz YBKBBDBOVVDJSD-HNNXBMFYSA-N 1 1 263.381 2.993 10 0 CFAEMO CC[N@@H+](C[C@@H](O)c1cccc(OC)c1)C1CCCC1 ZINC000044131943 175144944 /nfs/dbraw/zinc/14/49/44/175144944.db2.gz ITPUMBVKLUFKLL-MRXNPFEDSA-N 1 1 263.381 2.993 10 0 CFAEMO CCCCC[N@@H+](C)C[C@H](O)c1ccc(OC)cc1 ZINC000044131429 175145052 /nfs/dbraw/zinc/14/50/52/175145052.db2.gz VDWGGMAWKPARRP-HNNXBMFYSA-N 1 1 251.370 2.851 10 0 CFAEMO CCC(CC)[N@@H+](C)C[C@@H](O)c1ccc2c(c1)OCO2 ZINC000044134278 175145161 /nfs/dbraw/zinc/14/51/61/175145161.db2.gz RBHAXCKAGRALQL-CYBMUJFWSA-N 1 1 265.353 2.569 10 0 CFAEMO C[N@@H+](Cc1ccncc1)[C@@H]1CCCc2ccccc2[C@@H]1O ZINC000044134212 175145219 /nfs/dbraw/zinc/14/52/19/175145219.db2.gz AZJSRMCCRXMRFW-MSOLQXFVSA-N 1 1 282.387 2.952 10 0 CFAEMO C[N@@H+](Cc1ccncc1)[C@H]1CCCc2ccccc2[C@@H]1O ZINC000044134214 175145352 /nfs/dbraw/zinc/14/53/52/175145352.db2.gz AZJSRMCCRXMRFW-ROUUACIJSA-N 1 1 282.387 2.952 10 0 CFAEMO C[N@@H+](Cc1ccccn1)[C@H]1CCc2ccccc2[C@@H]1O ZINC000044133474 175145462 /nfs/dbraw/zinc/14/54/62/175145462.db2.gz VJGYITWOFGRPCH-IRXDYDNUSA-N 1 1 268.360 2.562 10 0 CFAEMO CCC(CC)[N@@H+](C)C[C@H](O)c1ccc(OC)c(OC)c1 ZINC000044134447 175145620 /nfs/dbraw/zinc/14/56/20/175145620.db2.gz JZJALGHDDMYQPC-AWEZNQCLSA-N 1 1 281.396 2.858 10 0 CFAEMO Cc1ccc([C@@H](O)[C@H](C)[N@@H+](C)Cc2ccncc2)cc1 ZINC000044134190 175145659 /nfs/dbraw/zinc/14/56/59/175145659.db2.gz HLHLNXIKXPCMGA-YOEHRIQHSA-N 1 1 270.376 2.944 10 0 CFAEMO CCc1ccc([C@H](O)[C@H](C)[N@@H+](C)C2CCOCC2)cc1 ZINC000044160257 175147378 /nfs/dbraw/zinc/14/73/78/175147378.db2.gz NECJAFFAIALZTB-SUMWQHHRSA-N 1 1 277.408 2.782 10 0 CFAEMO CC[C@H]([C@@H](O)c1ccccc1)[N@@H+](C)C1CCOCC1 ZINC000044160149 175147683 /nfs/dbraw/zinc/14/76/83/175147683.db2.gz XEMAIBTUTSGOAU-CVEARBPZSA-N 1 1 263.381 2.609 10 0 CFAEMO CCOc1ccc([C@H](C)O)cc1C[N@@H+](CC)[C@@H](C)COC ZINC000044165278 175147767 /nfs/dbraw/zinc/14/77/67/175147767.db2.gz MYKLQDGTXGRZHQ-KBPBESRZSA-N 1 1 295.423 2.995 10 0 CFAEMO CC[N@@H+](C[C@@H](O)c1cc2ccccc2o1)[C@@H](C)COC ZINC000044165051 175147847 /nfs/dbraw/zinc/14/78/47/175147847.db2.gz DZILIVRWOWRTJC-GXTWGEPZSA-N 1 1 277.364 2.823 10 0 CFAEMO Cc1ccccc1[C@H](O)C[N@H+](CCN(C)C)CC(C)C ZINC000044164530 175147890 /nfs/dbraw/zinc/14/78/90/175147890.db2.gz XALVNVZENCRBAO-QGZVFWFLSA-N 1 1 278.440 2.548 10 0 CFAEMO Cc1ccccc1[C@H](O)CN(CC[NH+](C)C)CC(C)C ZINC000044164530 175147891 /nfs/dbraw/zinc/14/78/91/175147891.db2.gz XALVNVZENCRBAO-QGZVFWFLSA-N 1 1 278.440 2.548 10 0 CFAEMO Cc1ccc([C@H](O)[C@@H](C)[N@H+](CCN(C)C)CC(C)C)cc1 ZINC000044164542 175147908 /nfs/dbraw/zinc/14/79/08/175147908.db2.gz KFAVUYMQJUZEDT-SJLPKXTDSA-N 1 1 292.467 2.937 10 0 CFAEMO CCc1ccc([C@@H](O)C[N@@H+](CCOC)CC(C)C)cc1 ZINC000044165876 175148036 /nfs/dbraw/zinc/14/80/36/175148036.db2.gz QOVGVXVOZUQCGZ-KRWDZBQOSA-N 1 1 279.424 2.887 10 0 CFAEMO CC[C@@H]1CC[C@H](O)[C@H]([N@@H+](CCOC)CC(C)C)C1 ZINC000044165953 175148484 /nfs/dbraw/zinc/14/84/84/175148484.db2.gz UZVFNXJDCHKCOS-KFWWJZLASA-N 1 1 257.418 2.530 10 0 CFAEMO CCC[C@@H](O)[C@H](CC)[N@@H+](CC)Cc1ccncc1 ZINC000044169464 175148768 /nfs/dbraw/zinc/14/87/68/175148768.db2.gz FCZQNOHJOQDXTN-LSDHHAIUSA-N 1 1 250.386 2.843 10 0 CFAEMO COCC[N@@H+]([C@H](C)C1CC1)[C@@H]1CCc2ccccc2[C@@H]1O ZINC000044173466 175149113 /nfs/dbraw/zinc/14/91/13/175149113.db2.gz LXOFIDJCPLQZKP-XWIAVFTESA-N 1 1 289.419 2.782 10 0 CFAEMO COCC[N@@H+](C[C@@H](O)c1c(C)cc(C)cc1C)C1CC1 ZINC000044171931 175149192 /nfs/dbraw/zinc/14/91/92/175149192.db2.gz HCTOSYUOWLTDFL-MRXNPFEDSA-N 1 1 277.408 2.756 10 0 CFAEMO CC[C@H](C)[N@@H+](CCOC)[C@@H]1C[C@@H](CC)CC[C@@H]1O ZINC000044174952 175149330 /nfs/dbraw/zinc/14/93/30/175149330.db2.gz ISFBJHRXHSWAEP-XQLPTFJDSA-N 1 1 257.418 2.673 10 0 CFAEMO COc1ccc(C[N@@H+](C)[C@@H]2CCCCC[C@@H]2O)cc1 ZINC000044171325 175149379 /nfs/dbraw/zinc/14/93/79/175149379.db2.gz OOBNTCXIMSNYCZ-CVEARBPZSA-N 1 1 263.381 2.821 10 0 CFAEMO COCC[N@@H+](C[C@@H](O)C12CC3CC(CC(C3)C1)C2)C1CC1 ZINC000044171884 175149592 /nfs/dbraw/zinc/14/95/92/175149592.db2.gz NXYHCPNJBWNNFZ-UFPBRMSXSA-N 1 1 293.451 2.675 10 0 CFAEMO Cc1ccc([C@@H](O)[C@@H](C)[NH+]2CCN(C(C)(C)C)CC2)cc1 ZINC000044176283 175150039 /nfs/dbraw/zinc/15/00/39/175150039.db2.gz FPSNHNPRDDGVQD-WBVHZDCISA-N 1 1 290.451 2.833 10 0 CFAEMO CC[C@H]1CO[C@@H](C)C[N@H+]1[C@@H]1CCCc2ccccc2[C@@H]1O ZINC000044175965 175150169 /nfs/dbraw/zinc/15/01/69/175150169.db2.gz DNXPSKCBXURFJU-PLYYQAHHSA-N 1 1 289.419 2.924 10 0 CFAEMO CC[C@H]([C@H](O)c1ccccc1)[N@H+]1CCOCC1(C)C ZINC000044178213 175150689 /nfs/dbraw/zinc/15/06/89/175150689.db2.gz MATFYDQOVMSNAP-HUUCEWRRSA-N 1 1 263.381 2.609 10 0 CFAEMO CC(C)(C)[C@@H]1CC[C@H](O)[C@@H]([N@H+]2CCOCC2(C)C)C1 ZINC000044178245 175150766 /nfs/dbraw/zinc/15/07/66/175150766.db2.gz SBWRKDPQVHMLQR-RDBSUJKOSA-N 1 1 269.429 2.673 10 0 CFAEMO CCC(CC)[N@@H+](CCOC)C[C@H](O)c1cccc(OC)c1 ZINC000044177928 175150944 /nfs/dbraw/zinc/15/09/44/175150944.db2.gz JMZYDJRGKUQVHM-KRWDZBQOSA-N 1 1 295.423 2.866 10 0 CFAEMO C[C@@H]1CC[C@H](O)[C@H]([N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000044180238 175151431 /nfs/dbraw/zinc/15/14/31/175151431.db2.gz HEDFKVYWMDMBQZ-DFBGVHRSSA-N 1 1 251.345 2.807 10 0 CFAEMO Cc1ccc(NCC[NH+]2CCOCC2)cc1C(F)(F)F ZINC000044270225 175158475 /nfs/dbraw/zinc/15/84/75/175158475.db2.gz DJULVZAQKRDZSA-UHFFFAOYSA-N 1 1 288.313 2.758 10 0 CFAEMO CCCN1CCN([C@H](c2ccsc2)[C@H]([NH3+])CC)CC1 ZINC000044418503 175173268 /nfs/dbraw/zinc/17/32/68/175173268.db2.gz PJRWQLCXQQBQSS-HUUCEWRRSA-N 1 1 281.469 2.554 10 0 CFAEMO COc1ccc2oc([C@H]([NH3+])c3cnn(C)c3)c(C)c2c1 ZINC000044496566 175183146 /nfs/dbraw/zinc/18/31/46/175183146.db2.gz KBPOXJOPJRUXHT-CQSZACIVSA-N 1 1 271.320 2.531 10 0 CFAEMO COc1ccc2oc([C@@H]([NH3+])c3cnn(C)c3)c(C)c2c1 ZINC000044496567 175183318 /nfs/dbraw/zinc/18/33/18/175183318.db2.gz KBPOXJOPJRUXHT-AWEZNQCLSA-N 1 1 271.320 2.531 10 0 CFAEMO C[N@@H+]1CCCC[C@@H]1CNCc1cc(F)ccc1F ZINC000044561397 175205262 /nfs/dbraw/zinc/20/52/62/175205262.db2.gz LEOJXKCDMAHTDJ-CYBMUJFWSA-N 1 1 254.324 2.539 10 0 CFAEMO C[N@H+]1CCCC[C@@H]1CNCc1cc(F)ccc1F ZINC000044561397 175205263 /nfs/dbraw/zinc/20/52/63/175205263.db2.gz LEOJXKCDMAHTDJ-CYBMUJFWSA-N 1 1 254.324 2.539 10 0 CFAEMO Cc1nnc(NC[C@@H]2CCCC[N@@H+]2C)c2ccccc12 ZINC000044563275 175206848 /nfs/dbraw/zinc/20/68/48/175206848.db2.gz DOMYRQQTSTWZMU-ZDUSSCGKSA-N 1 1 270.380 2.834 10 0 CFAEMO C[N@H+]1CCCC[C@@H]1Cn1c(N)nc2cc(Cl)ccc21 ZINC000044563668 175207724 /nfs/dbraw/zinc/20/77/24/175207724.db2.gz DXRIYXVQQUITRT-LLVKDONJSA-N 1 1 278.787 2.756 10 0 CFAEMO CCC[N@@H+](CCN(C)C)C[C@H](O)c1ccc(C)c(C)c1 ZINC000044572655 175210255 /nfs/dbraw/zinc/21/02/55/175210255.db2.gz OLUVWBMKTSRBHP-KRWDZBQOSA-N 1 1 278.440 2.610 10 0 CFAEMO CCCN(CC[NH+](C)C)C[C@H](O)c1ccc(C)c(C)c1 ZINC000044572655 175210256 /nfs/dbraw/zinc/21/02/56/175210256.db2.gz OLUVWBMKTSRBHP-KRWDZBQOSA-N 1 1 278.440 2.610 10 0 CFAEMO Oc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000044747332 175243082 /nfs/dbraw/zinc/24/30/82/175243082.db2.gz FBPSHUPMWPDWEY-ACJLOTCBSA-N 1 1 286.419 2.844 10 0 CFAEMO Cc1cc(N)ccc1C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000044748207 175243465 /nfs/dbraw/zinc/24/34/65/175243465.db2.gz QCPNBPNUUJYKJN-CQSZACIVSA-N 1 1 289.423 2.572 10 0 CFAEMO C[C@@H](C(=O)Nc1ccc(F)cc1N)[N@@H+](C)CC(C)(C)C ZINC000045064568 175299516 /nfs/dbraw/zinc/29/95/16/175299516.db2.gz RWCYTUCTRQDLPL-JTQLQIEISA-N 1 1 281.375 2.713 10 0 CFAEMO COc1ccccc1[C@H](N)C[N@@H+](C)CC(C)(C)C ZINC000045072681 175301699 /nfs/dbraw/zinc/30/16/99/175301699.db2.gz OONLNYMNCROVNN-CYBMUJFWSA-N 1 1 250.386 2.673 10 0 CFAEMO COc1ccccc1[C@H]([NH3+])CN(C)CC(C)(C)C ZINC000045072681 175301700 /nfs/dbraw/zinc/30/17/00/175301700.db2.gz OONLNYMNCROVNN-CYBMUJFWSA-N 1 1 250.386 2.673 10 0 CFAEMO COc1cccc([C@H](N)C[N@@H+](C)CC(C)(C)C)c1 ZINC000045072598 175301705 /nfs/dbraw/zinc/30/17/05/175301705.db2.gz MWYXNXLWHJDZHX-CQSZACIVSA-N 1 1 250.386 2.673 10 0 CFAEMO COc1cccc([C@H]([NH3+])CN(C)CC(C)(C)C)c1 ZINC000045072598 175301706 /nfs/dbraw/zinc/30/17/06/175301706.db2.gz MWYXNXLWHJDZHX-CQSZACIVSA-N 1 1 250.386 2.673 10 0 CFAEMO COc1ccc([C@@H](N)C[N@@H+](C)CC(C)(C)C)cc1 ZINC000045072591 175301941 /nfs/dbraw/zinc/30/19/41/175301941.db2.gz KTQSRRBAOLSFLV-AWEZNQCLSA-N 1 1 250.386 2.673 10 0 CFAEMO COc1ccc([C@@H]([NH3+])CN(C)CC(C)(C)C)cc1 ZINC000045072591 175301942 /nfs/dbraw/zinc/30/19/42/175301942.db2.gz KTQSRRBAOLSFLV-AWEZNQCLSA-N 1 1 250.386 2.673 10 0 CFAEMO COc1cccc([C@@H](O)C[N@@H+](C)CC(C)(C)C)c1 ZINC000045087219 175304199 /nfs/dbraw/zinc/30/41/99/175304199.db2.gz LJKBAKHMNLPVAC-AWEZNQCLSA-N 1 1 251.370 2.707 10 0 CFAEMO CC(C)[N@H+]1CC[C@@H](CNc2ccc3ncccc3c2N)C1 ZINC000045118708 175311490 /nfs/dbraw/zinc/31/14/90/175311490.db2.gz RZQCUQWCPYVSBQ-ZDUSSCGKSA-N 1 1 284.407 2.959 10 0 CFAEMO Cc1nn(C)c(C)c1[C@H](C)NCCC[N@H+]1CCCC[C@@H]1C ZINC000045167343 175319400 /nfs/dbraw/zinc/31/94/00/175319400.db2.gz GTTQPFQTSJUROT-KBPBESRZSA-N 1 1 292.471 2.952 10 0 CFAEMO CCCN[C@](C)(CC[N@@H+](CC)C1CCCC1)C(=O)OCC ZINC000045269315 175341412 /nfs/dbraw/zinc/34/14/12/175341412.db2.gz QATZBHACWAMDQL-QGZVFWFLSA-N 1 1 298.471 2.962 10 0 CFAEMO CCCN[C@@](C)(C[N@@H+](C)C1CCCCCC1)C(=O)OC ZINC000045271915 175342675 /nfs/dbraw/zinc/34/26/75/175342675.db2.gz ZMEAKBDPRRPVMK-INIZCTEOSA-N 1 1 284.444 2.572 10 0 CFAEMO COC(=O)[C@](C)(CC[N@@H+](C)C1CCCCCC1)NC1CC1 ZINC000045272021 175343122 /nfs/dbraw/zinc/34/31/22/175343122.db2.gz LRBOURAUIPJRDV-KRWDZBQOSA-N 1 1 296.455 2.715 10 0 CFAEMO CCOC(=O)[C@](C)(C[N@@H+](C)[C@@H](C)C(C)(C)C)NC(C)C ZINC000045274744 175345348 /nfs/dbraw/zinc/34/53/48/175345348.db2.gz KJCWOBSVZDFCMA-BBRMVZONSA-N 1 1 286.460 2.673 10 0 CFAEMO CCC[NH2+][C@](C)(CC[N@@H+](C)[C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000045279071 175349340 /nfs/dbraw/zinc/34/93/40/175349340.db2.gz GZPDGVYDNYEFFJ-SQWLQELKSA-N 1 1 284.444 2.730 10 0 CFAEMO COC(=O)[C@](C)(CC[N@@H+](C)C1CCC(C)CC1)NC1CC1 ZINC000045280628 175351360 /nfs/dbraw/zinc/35/13/60/175351360.db2.gz IDZIOZIGZJWUHS-PGEKIEPBSA-N 1 1 296.455 2.571 10 0 CFAEMO CCOC(=O)[C@@](C)(CC[N@@H+](C)CCC(C)C)NC(C)C ZINC000045281308 175351533 /nfs/dbraw/zinc/35/15/33/175351533.db2.gz LCVJPGNGKBEGJV-MRXNPFEDSA-N 1 1 286.460 2.674 10 0 CFAEMO CCCN[C@](C)(CCC[N@H+]1CCC[C@@H]1CC)C(=O)OC ZINC000045367530 175362974 /nfs/dbraw/zinc/36/29/74/175362974.db2.gz QAXKZAKSMARTOT-GOEBONIOSA-N 1 1 284.444 2.572 10 0 CFAEMO CCCC[N@@H+](CC)CCCC[C@@](C)([NH2+]CC)C(=O)[O-] ZINC000045370391 175363540 /nfs/dbraw/zinc/36/35/40/175363540.db2.gz BAEJKYOMLDECSK-OAHLLOKOSA-N 1 1 272.433 2.732 10 0 CFAEMO CCCC[N@@H+](C)CCC[C@](C)(NC(C)C)C(=O)OCC ZINC000045368404 175363900 /nfs/dbraw/zinc/36/39/00/175363900.db2.gz FWLDVCNQJBVTRY-INIZCTEOSA-N 1 1 286.460 2.818 10 0 CFAEMO CC[N@@H+](CCCC[C@](C)([NH2+]C)C(=O)[O-])C1CCCCC1 ZINC000045372271 175365164 /nfs/dbraw/zinc/36/51/64/175365164.db2.gz RCTUGZOLOXJGEX-INIZCTEOSA-N 1 1 284.444 2.874 10 0 CFAEMO CCN[C@](C)(CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(=O)OCC ZINC000045373582 175365514 /nfs/dbraw/zinc/36/55/14/175365514.db2.gz WJYYBXHICTXQRO-HLLBOEOZSA-N 1 1 298.471 2.676 10 0 CFAEMO CCOC(=O)[C@@](C)(CCC[N@H+]1CCCC[C@@H]1C)NC(C)C ZINC000045376169 175366489 /nfs/dbraw/zinc/36/64/89/175366489.db2.gz GDMLJFYRXADCLD-DOTOQJQBSA-N 1 1 298.471 2.961 10 0 CFAEMO CCOC(=O)[C@](C)(CCCC[N@@H+](C)C1CCCCC1)NC ZINC000045379077 175368071 /nfs/dbraw/zinc/36/80/71/175368071.db2.gz NHPIGWOMDGRAKX-KRWDZBQOSA-N 1 1 298.471 2.962 10 0 CFAEMO C[N@@H+](CCC[C@](C)([NH2+]C1CC1)C(=O)[O-])C1CCCCC1 ZINC000045379119 175368678 /nfs/dbraw/zinc/36/86/78/175368678.db2.gz QHPOWDHWOVGVQI-INIZCTEOSA-N 1 1 282.428 2.626 10 0 CFAEMO CC(C)[NH2+][C@@](C)(CCC[N@@H+](C)C1CCCCC1)C(=O)[O-] ZINC000045379113 175368689 /nfs/dbraw/zinc/36/86/89/175368689.db2.gz YPPOBYXUVDQCBT-INIZCTEOSA-N 1 1 284.444 2.872 10 0 CFAEMO CC(C)[NH2+][C@@](C)(CCC[N@@H+]1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000045379662 175369190 /nfs/dbraw/zinc/36/91/90/175369190.db2.gz XGZJEONDGBGWKG-LZWOXQAQSA-N 1 1 284.444 2.871 10 0 CFAEMO CC[N@@H+](CCC[C@](C)(NC(C)C)C(=O)OC)CC(C)C ZINC000045381866 175369627 /nfs/dbraw/zinc/36/96/27/175369627.db2.gz ISFJFBNOAAIGJU-INIZCTEOSA-N 1 1 286.460 2.674 10 0 CFAEMO CC[N@@H+](CCC[C@@](C)(NC(C)C)C(=O)OC)CC(C)C ZINC000045381867 175369717 /nfs/dbraw/zinc/36/97/17/175369717.db2.gz ISFJFBNOAAIGJU-MRXNPFEDSA-N 1 1 286.460 2.674 10 0 CFAEMO CCCN[C@@](C)(CCC[N@@H+](C)CC(C)C)C(=O)OCC ZINC000045381020 175369994 /nfs/dbraw/zinc/36/99/94/175369994.db2.gz WEMDIZKBYRWHPY-INIZCTEOSA-N 1 1 286.460 2.676 10 0 CFAEMO CCN[C@@](C)(CCCC[N@@H+](C)CC(C)C)C(=O)OCC ZINC000045380864 175370276 /nfs/dbraw/zinc/37/02/76/175370276.db2.gz CNAACCGNQQPZBY-INIZCTEOSA-N 1 1 286.460 2.676 10 0 CFAEMO CCOC(=O)[C@@](C)(CCC[N@@H+](C)C1CCCC1)NC(C)C ZINC000045384921 175372167 /nfs/dbraw/zinc/37/21/67/175372167.db2.gz FBKRIFOJMLENIK-QGZVFWFLSA-N 1 1 298.471 2.961 10 0 CFAEMO CCC[NH2+][C@](C)(CCCC[N@@H+](C)C1CCCC1)C(=O)[O-] ZINC000045384618 175372408 /nfs/dbraw/zinc/37/24/08/175372408.db2.gz CQBAMGWYVOZRIG-MRXNPFEDSA-N 1 1 284.444 2.874 10 0 CFAEMO CCC[N@@H+](CCCC[C@](C)(NC1CC1)C(=O)OC)C(C)C ZINC000045385909 175372478 /nfs/dbraw/zinc/37/24/78/175372478.db2.gz JOXNTXYCFUZGGZ-KRWDZBQOSA-N 1 1 298.471 2.961 10 0 CFAEMO CCCN[C@@](C)(CCCC[N@@H+](CC)C1CC1)C(=O)OCC ZINC000045386395 175372852 /nfs/dbraw/zinc/37/28/52/175372852.db2.gz FBCXUUPXQXVOHI-KRWDZBQOSA-N 1 1 298.471 2.962 10 0 CFAEMO CCC[N@@H+](CCC[C@](C)(NC1CC1)C(=O)OCC)C1CC1 ZINC000045387672 175373680 /nfs/dbraw/zinc/37/36/80/175373680.db2.gz RJSYNFCGQHNVPV-KRWDZBQOSA-N 1 1 296.455 2.715 10 0 CFAEMO CCCN[C@](C)(CCC[N@@H+](CCC)C1CC1)C(=O)OC ZINC000045387622 175374063 /nfs/dbraw/zinc/37/40/63/175374063.db2.gz AVFVJCYDRUSLDB-MRXNPFEDSA-N 1 1 284.444 2.572 10 0 CFAEMO CCCCC[N@@H+](C)CCCC[C@@](C)([NH2+]CC)C(=O)[O-] ZINC000045387898 175374183 /nfs/dbraw/zinc/37/41/83/175374183.db2.gz XGBHWYDDOZNZNT-OAHLLOKOSA-N 1 1 272.433 2.732 10 0 CFAEMO CC[NH2+][C@](C)(CCCC[N@@H+](CC)C1CCCC1)C(=O)[O-] ZINC000045390421 175374492 /nfs/dbraw/zinc/37/44/92/175374492.db2.gz QFOIBWBVKXVWTG-MRXNPFEDSA-N 1 1 284.444 2.874 10 0 CFAEMO CC[N@@H+](CCC[C@@](C)(NC1CC1)C(=O)OC)C1CCCC1 ZINC000045390672 175374719 /nfs/dbraw/zinc/37/47/19/175374719.db2.gz UKLXWLKSAPVHPR-QGZVFWFLSA-N 1 1 296.455 2.715 10 0 CFAEMO CCCN[C@](C)(CCC[N@@H+](C)C(CC)CC)C(=O)OC ZINC000045391625 175374853 /nfs/dbraw/zinc/37/48/53/175374853.db2.gz CSBJMQKFOZAPOQ-MRXNPFEDSA-N 1 1 286.460 2.818 10 0 CFAEMO CCN[C@](C)(CCC[N@@H+](C)C(CC)CC)C(=O)OCC ZINC000045391609 175375095 /nfs/dbraw/zinc/37/50/95/175375095.db2.gz GOEGSAOKXRZDII-MRXNPFEDSA-N 1 1 286.460 2.818 10 0 CFAEMO CC(C)[NH2+][C@](C)(CCCC[N@@H+](C)[C@@H](C)C1CC1)C(=O)[O-] ZINC000045392807 175375390 /nfs/dbraw/zinc/37/53/90/175375390.db2.gz GHKZHUMCSVVTMV-XJKSGUPXSA-N 1 1 284.444 2.728 10 0 CFAEMO CCCN[C@@](C)(CCC[N@@H+](C)[C@@H](C)C1CC1)C(=O)OCC ZINC000045393040 175375496 /nfs/dbraw/zinc/37/54/96/175375496.db2.gz WLXQFAHUAVVHFL-YOEHRIQHSA-N 1 1 298.471 2.818 10 0 CFAEMO Cc1noc([C@H]2C[N@@H+](C)CC[C@@H]2c2ccccc2)n1 ZINC000071186820 176060114 /nfs/dbraw/zinc/06/01/14/176060114.db2.gz SOAFXWCFVXGBQG-KGLIPLIRSA-N 1 1 257.337 2.581 10 0 CFAEMO CN(Cc1ccsc1)Cc1ccc(F)cc1C[NH3+] ZINC000071250300 176095013 /nfs/dbraw/zinc/09/50/13/176095013.db2.gz OKOAGCTWSGBWMP-UHFFFAOYSA-N 1 1 264.369 2.978 10 0 CFAEMO CC[C@H]1C[N@H+](Cc2cccc(OC)c2)[C@H](C(C)C)CN1 ZINC000071343758 176130978 /nfs/dbraw/zinc/13/09/78/176130978.db2.gz BNEZGMFUHXVVNX-RDJZCZTQSA-N 1 1 276.424 2.904 10 0 CFAEMO CC[C@H]1C[N@@H+](Cc2cccc(OC)c2)[C@H](C(C)C)CN1 ZINC000071343758 176130980 /nfs/dbraw/zinc/13/09/80/176130980.db2.gz BNEZGMFUHXVVNX-RDJZCZTQSA-N 1 1 276.424 2.904 10 0 CFAEMO C[N@@H+](CCNc1c(F)cc(N)cc1F)C1CCCC1 ZINC000071376920 176141779 /nfs/dbraw/zinc/14/17/79/176141779.db2.gz HHXSADMZQDWKNE-UHFFFAOYSA-N 1 1 269.339 2.833 10 0 CFAEMO COc1cc2cc[nH+]c(N)c2cc1Br ZINC000071482642 176189062 /nfs/dbraw/zinc/18/90/62/176189062.db2.gz QPADLPQLVTXXNK-UHFFFAOYSA-N 1 1 253.099 2.588 10 0 CFAEMO Cc1[nH+]c(CN2CCC3(CCCO3)CC2)c2ccccn12 ZINC000071661978 176242523 /nfs/dbraw/zinc/24/25/23/176242523.db2.gz IPIUDGBKDDKRDW-UHFFFAOYSA-N 1 1 285.391 2.788 10 0 CFAEMO Cc1cc(C(C)(C)C)ccc1CCOC(=O)[C@H](C)[NH3+] ZINC000076363693 177003280 /nfs/dbraw/zinc/00/32/80/177003280.db2.gz AVBFKYXZGSKKIE-LBPRGKRZSA-N 1 1 263.381 2.725 10 0 CFAEMO C[C@@H]1COC[C@H](C)[N@H+]1Cc1cccc(OC(F)F)c1 ZINC000077369078 177258972 /nfs/dbraw/zinc/25/89/72/177258972.db2.gz IXTOCGMMJCJFTK-PHIMTYICSA-N 1 1 271.307 2.897 10 0 CFAEMO C[C@@H]1COC[C@H](C)[N@@H+]1Cc1cccc(OC(F)F)c1 ZINC000077369078 177258973 /nfs/dbraw/zinc/25/89/73/177258973.db2.gz IXTOCGMMJCJFTK-PHIMTYICSA-N 1 1 271.307 2.897 10 0 CFAEMO C[C@H]1COC[C@H](C)[NH+]1Cc1cccc(OC(F)F)c1 ZINC000077369080 177259049 /nfs/dbraw/zinc/25/90/49/177259049.db2.gz IXTOCGMMJCJFTK-QWRGUYRKSA-N 1 1 271.307 2.897 10 0 CFAEMO C[C@@H]1COC[C@@H](C)[NH+]1Cc1cccc(OC(F)F)c1 ZINC000077369081 177259151 /nfs/dbraw/zinc/25/91/51/177259151.db2.gz IXTOCGMMJCJFTK-GHMZBOCLSA-N 1 1 271.307 2.897 10 0 CFAEMO C[C@@H]([NH2+]Cc1ccc(CO)o1)c1ccc(F)c(F)c1 ZINC000077897817 177308101 /nfs/dbraw/zinc/30/81/01/177308101.db2.gz RLNGJIHGULBKNT-SECBINFHSA-N 1 1 267.275 2.901 10 0 CFAEMO COC(=O)CCC[N@@H+]1C[C@H](c2ccccc2)OCC1(C)C ZINC000078760723 177383060 /nfs/dbraw/zinc/38/30/60/177383060.db2.gz MXSVYWPSGDFMIS-OAHLLOKOSA-N 1 1 291.391 2.792 10 0 CFAEMO COC(=O)CCC[N@H+]1C[C@H](c2ccccc2)OCC1(C)C ZINC000078760723 177383061 /nfs/dbraw/zinc/38/30/61/177383061.db2.gz MXSVYWPSGDFMIS-OAHLLOKOSA-N 1 1 291.391 2.792 10 0 CFAEMO Nc1cccc2c1cc[nH+]c2NCC[C@@H]1CCCO1 ZINC000663374539 420504275 /nfs/dbraw/zinc/50/42/75/420504275.db2.gz DLZZOHGETFEESY-NSHDSACASA-N 1 1 257.337 2.798 10 0 CFAEMO COc1c(C[N@@H+](C)[C@H]2CCC[C@H](C)C2)c(C)nn1C ZINC000180044667 260090709 /nfs/dbraw/zinc/09/07/09/260090709.db2.gz INFQZHXSYPOEFR-AAEUAGOBSA-N 1 1 265.401 2.748 10 0 CFAEMO CCCc1ccc(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1 ZINC000195046341 270249740 /nfs/dbraw/zinc/24/97/40/270249740.db2.gz DICJCXWMEXGLEY-KRWDZBQOSA-N 1 1 286.419 2.949 10 0 CFAEMO c1ccc(OCCCN2CC[N@H+]3CCCC[C@@H]3C2)cc1 ZINC000093952689 265204545 /nfs/dbraw/zinc/20/45/45/265204545.db2.gz OGTITDBVYVDWKL-MRXNPFEDSA-N 1 1 274.408 2.626 10 0 CFAEMO c1ccc(OCCC[N@@H+]2CCN3CCCC[C@@H]3C2)cc1 ZINC000093952689 265204546 /nfs/dbraw/zinc/20/45/46/265204546.db2.gz OGTITDBVYVDWKL-MRXNPFEDSA-N 1 1 274.408 2.626 10 0 CFAEMO c1ccc(OCCC[N@H+]2CCN3CCCC[C@@H]3C2)cc1 ZINC000093952689 265204547 /nfs/dbraw/zinc/20/45/47/265204547.db2.gz OGTITDBVYVDWKL-MRXNPFEDSA-N 1 1 274.408 2.626 10 0 CFAEMO C[N@@H+](C[C@H](O)COCc1ccccc1)C1CC(C)(C)C1 ZINC000395480218 270312836 /nfs/dbraw/zinc/31/28/36/270312836.db2.gz GMZPBONYMWZCSP-INIZCTEOSA-N 1 1 277.408 2.685 10 0 CFAEMO c1ccc(COc2cccc(CNC[C@@H]3CC[NH2+]C3)c2)cc1 ZINC000398325720 270321724 /nfs/dbraw/zinc/32/17/24/270321724.db2.gz FGYYGNZCWUUWPV-GOSISDBHSA-N 1 1 296.414 2.965 10 0 CFAEMO O[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)s3)C[C@@H]2C1 ZINC000398676048 270323716 /nfs/dbraw/zinc/32/37/16/270323716.db2.gz HEXYEEQBYJDBEO-GARJFASQSA-N 1 1 271.813 2.994 10 0 CFAEMO C[C@@H]1CCC[C@H](C[N@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)C1 ZINC000398887976 270325231 /nfs/dbraw/zinc/32/52/31/270325231.db2.gz YUGCUUNXQRZMNJ-YXMSTPNBSA-N 1 1 251.414 2.906 10 0 CFAEMO O[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc4c(c3)CCC4)C[C@@H]2C1 ZINC000398983002 270325722 /nfs/dbraw/zinc/32/57/22/270325722.db2.gz DXICMTKZHOWHHQ-OKZBNKHCSA-N 1 1 271.404 2.768 10 0 CFAEMO Cc1cc(C)cc(OCCC[N@@H+]2C[C@@H](O)CC[C@@H]2C)c1 ZINC000399507261 270328777 /nfs/dbraw/zinc/32/87/77/270328777.db2.gz YFPIOFQWWAYQHL-HOTGVXAUSA-N 1 1 277.408 2.918 10 0 CFAEMO Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCc3ccccc3C2)o1 ZINC000183068227 274759720 /nfs/dbraw/zinc/75/97/20/274759720.db2.gz MVTYMYPMDPHYAW-AWEZNQCLSA-N 1 1 298.386 2.824 10 0 CFAEMO Cc1ncc(C[NH2+][C@H]2CC(=O)N(C)c3ccccc32)s1 ZINC000040997835 274857019 /nfs/dbraw/zinc/85/70/19/274857019.db2.gz YQRPVAWCFPQYJL-ZDUSSCGKSA-N 1 1 287.388 2.649 10 0 CFAEMO c1[nH]c([C@H]2Cc3ccccc3C[NH2+]2)nc1-c1ccncc1 ZINC000036878059 275062476 /nfs/dbraw/zinc/06/24/76/275062476.db2.gz GNRKNTOAWNBUMK-OAHLLOKOSA-N 1 1 276.343 2.859 10 0 CFAEMO CC[N@H+]1CCC[C@H](NC(=O)C2C[C@H](C)C[C@@H](C)C2)C1 ZINC000248554362 276176795 /nfs/dbraw/zinc/17/67/95/276176795.db2.gz LFFLVTYTTKHZPF-NFAWXSAZSA-N 1 1 266.429 2.659 10 0 CFAEMO CCCCOC[C@@H](O)C[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000300296009 276238073 /nfs/dbraw/zinc/23/80/73/276238073.db2.gz USRYKBOAJKIAIM-KBPBESRZSA-N 1 1 257.418 2.532 10 0 CFAEMO COC1(CC[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)CCC1 ZINC000336813377 277183038 /nfs/dbraw/zinc/18/30/38/277183038.db2.gz CGVFHOKJZJBPBX-HOCLYGCPSA-N 1 1 267.413 2.573 10 0 CFAEMO CC(C)(C)OC1CC([N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)C1 ZINC000336326181 277209906 /nfs/dbraw/zinc/20/99/06/277209906.db2.gz ZJLPAHJSYCTJHH-VXTDNTOSSA-N 1 1 281.440 2.960 10 0 CFAEMO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCCn2ncnc21 ZINC000164776950 277435093 /nfs/dbraw/zinc/43/50/93/277435093.db2.gz YOMYRDWBSPQHHM-JKSUJKDBSA-N 1 1 298.390 2.789 10 0 CFAEMO COc1cccc2c(N3CC[N@H+]4CCC[C@H]4C3)cc(C)nc12 ZINC000247116150 278023977 /nfs/dbraw/zinc/02/39/77/278023977.db2.gz UGAGXXDIRZTKKT-AWEZNQCLSA-N 1 1 297.402 2.836 10 0 CFAEMO CC[N@@H+](CC(=O)[O-])C1CC([NH2+]C2CC3(C2)CCCCC3)C1 ZINC000263367801 279059412 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CFAEMO Cc1cc([C@@H]([NH3+])c2noc(C(C)(C)C)n2)ccc1F ZINC000050559507 525481646 /nfs/dbraw/zinc/48/16/46/525481646.db2.gz NWKAFCMJUVQNSJ-LLVKDONJSA-N 1 1 263.316 2.863 10 0 CFAEMO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)CN1CCCC1)CCO2 ZINC000049151301 525588859 /nfs/dbraw/zinc/58/88/59/525588859.db2.gz LXXBTSAXJMWTAO-XJKSGUPXSA-N 1 1 290.407 2.593 10 0 CFAEMO COc1ccc2cc(C[N@H+]3CCC[C@@H]3C)c(N)nc2c1 ZINC000050791633 525629300 /nfs/dbraw/zinc/62/93/00/525629300.db2.gz XSAUYVAZUCLTBZ-NSHDSACASA-N 1 1 271.364 2.810 10 0 CFAEMO Cc1ccc([C@@H](C)NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC000073503666 525703453 /nfs/dbraw/zinc/70/34/53/525703453.db2.gz SEBICLOXUCTUOD-MCIONIFRSA-N 1 1 291.395 2.527 10 0 CFAEMO C[C@H](O)C[C@H]1CCCCC[N@H+]1C[C@H](O)CC1CCCC1 ZINC000300147603 525818508 /nfs/dbraw/zinc/81/85/08/525818508.db2.gz FDGRWTJESYGRIT-USXIJHARSA-N 1 1 283.456 2.943 10 0 CFAEMO Cc1c(N)cccc1NC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC000050562916 525818925 /nfs/dbraw/zinc/81/89/25/525818925.db2.gz 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1 1 255.365 2.590 10 0 CFAEMO OCC[N@H+]1CCCC[C@@H](c2ccnc3ccccc32)C1 ZINC000616605631 352382357 /nfs/dbraw/zinc/38/23/57/352382357.db2.gz RFWXBCLFHPNNAO-CQSZACIVSA-N 1 1 270.376 2.797 10 0 CFAEMO CC(C)[N@H+]1CCC[C@@H](c2ccc(C(N)=O)cc2)CC1 ZINC000616609668 352383334 /nfs/dbraw/zinc/38/33/34/352383334.db2.gz GFJNXSNFJLCJJS-CYBMUJFWSA-N 1 1 260.381 2.763 10 0 CFAEMO c1n[nH]nc1[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC000616612424 352383895 /nfs/dbraw/zinc/38/38/95/352383895.db2.gz UTZSHLUWKFDNQN-CQSZACIVSA-N 1 1 256.353 2.574 10 0 CFAEMO c1[nH]nnc1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000616612424 352383898 /nfs/dbraw/zinc/38/38/98/352383898.db2.gz UTZSHLUWKFDNQN-CQSZACIVSA-N 1 1 256.353 2.574 10 0 CFAEMO c1[nH]nnc1[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC000616612424 352383900 /nfs/dbraw/zinc/38/39/00/352383900.db2.gz UTZSHLUWKFDNQN-CQSZACIVSA-N 1 1 256.353 2.574 10 0 CFAEMO OCC[N@H+]1CCCC[C@@H]1c1cccc2cccnc21 ZINC000616614899 352384719 /nfs/dbraw/zinc/38/47/19/352384719.db2.gz 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AWLLOSCUODNNDS-AWEZNQCLSA-N 1 1 291.395 2.610 10 0 CFAEMO CN1CC[NH2+][C@H](c2ccccc2NC(=O)OC(C)(C)C)C1 ZINC000616631938 352392341 /nfs/dbraw/zinc/39/23/41/352392341.db2.gz AWLLOSCUODNNDS-AWEZNQCLSA-N 1 1 291.395 2.610 10 0 CFAEMO c1n[nH]nc1[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000616630578 352393006 /nfs/dbraw/zinc/39/30/06/352393006.db2.gz ZIKRWXXDZNEBLB-AWEZNQCLSA-N 1 1 256.353 2.574 10 0 CFAEMO c1[nH]nnc1[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000616630578 352393010 /nfs/dbraw/zinc/39/30/10/352393010.db2.gz ZIKRWXXDZNEBLB-AWEZNQCLSA-N 1 1 256.353 2.574 10 0 CFAEMO c1[nH]nnc1[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000616630578 352393012 /nfs/dbraw/zinc/39/30/12/352393012.db2.gz ZIKRWXXDZNEBLB-AWEZNQCLSA-N 1 1 256.353 2.574 10 0 CFAEMO c1nn[nH]c1[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000616630578 352393016 /nfs/dbraw/zinc/39/30/16/352393016.db2.gz ZIKRWXXDZNEBLB-AWEZNQCLSA-N 1 1 256.353 2.574 10 0 CFAEMO c1nn[nH]c1[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000616630578 352393020 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/nfs/dbraw/zinc/39/41/95/352394195.db2.gz PTACQHUCSLZPDS-INIZCTEOSA-N 1 1 255.365 2.590 10 0 CFAEMO CNc1cccc([C@@H]2CN(C(=O)OC(C)(C)C)CC[NH2+]2)c1 ZINC000616632666 352394517 /nfs/dbraw/zinc/39/45/17/352394517.db2.gz UQHSDMPPAHZGET-AWEZNQCLSA-N 1 1 291.395 2.610 10 0 CFAEMO OCC[N@H+]1CCCC[C@@H](c2nccc3ccccc32)C1 ZINC000616656382 352400883 /nfs/dbraw/zinc/40/08/83/352400883.db2.gz WMXFNBXUWNCRRZ-OAHLLOKOSA-N 1 1 270.376 2.797 10 0 CFAEMO CC(C)(C)[N@H+]1CCO[C@@H](c2ccc3ccnnc3c2)C1 ZINC000616644358 352396159 /nfs/dbraw/zinc/39/61/59/352396159.db2.gz BMXRBWWTBUFMBP-OAHLLOKOSA-N 1 1 271.364 2.802 10 0 CFAEMO c1cc([C@H]2COCCC[N@H+]2Cc2ccccc2)on1 ZINC000616647545 352397703 /nfs/dbraw/zinc/39/77/03/352397703.db2.gz NGWVEQIUKZRQHV-CQSZACIVSA-N 1 1 258.321 2.638 10 0 CFAEMO c1cc([C@H]2COCCC[N@@H+]2Cc2ccccc2)on1 ZINC000616647545 352397708 /nfs/dbraw/zinc/39/77/08/352397708.db2.gz NGWVEQIUKZRQHV-CQSZACIVSA-N 1 1 258.321 2.638 10 0 CFAEMO c1cc([C@H]2C[N@@H+](Cc3ccccc3)CCCO2)no1 ZINC000616650466 352398522 /nfs/dbraw/zinc/39/85/22/352398522.db2.gz AAWUQEZSDPNYEO-OAHLLOKOSA-N 1 1 258.321 2.638 10 0 CFAEMO C[N@H+]1CCc2ccccc2[C@@H]1c1ccccc1CCO ZINC000616677490 352409497 /nfs/dbraw/zinc/40/94/97/352409497.db2.gz OZXQMTBOXGXSDI-GOSISDBHSA-N 1 1 267.372 2.799 10 0 CFAEMO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](C(C)(C)C)CCO1 ZINC000616684171 352411941 /nfs/dbraw/zinc/41/19/41/352411941.db2.gz FKUXJSANIWXWRS-LBPRGKRZSA-N 1 1 286.416 2.700 10 0 CFAEMO CC(C)(C)[N@H+]1CCO[C@H](c2cccc(CCO)c2)CC1 ZINC000616687278 352413612 /nfs/dbraw/zinc/41/36/12/352413612.db2.gz RQVKFYPSYDVSAJ-INIZCTEOSA-N 1 1 277.408 2.783 10 0 CFAEMO c1nc([C@@H]2CC[N@@H+](Cc3ccccc3)CCO2)co1 ZINC000616664730 352403604 /nfs/dbraw/zinc/40/36/04/352403604.db2.gz VDLHLMOHAHMDRN-HNNXBMFYSA-N 1 1 258.321 2.638 10 0 CFAEMO C[C@H]([NH2+]Cc1cc(C(N)=O)cs1)c1cc(F)ccc1F ZINC000093685793 539904683 /nfs/dbraw/zinc/90/46/83/539904683.db2.gz LDEKHXCWOJOQAF-QMMMGPOBSA-N 1 1 296.342 2.976 10 0 CFAEMO CC(C)C[N@H+]1CCC[C@@H]1CN[C@H](C)c1cccnc1 ZINC000155206044 188190824 /nfs/dbraw/zinc/19/08/24/188190824.db2.gz INSMFTHKLJDVQN-GDBMZVCRSA-N 1 1 261.413 2.853 10 0 CFAEMO CC(C)CN1CCC[C@@H]1C[NH2+][C@H](C)c1cccnc1 ZINC000155206044 188190826 /nfs/dbraw/zinc/19/08/26/188190826.db2.gz INSMFTHKLJDVQN-GDBMZVCRSA-N 1 1 261.413 2.853 10 0 CFAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000155786839 188228161 /nfs/dbraw/zinc/22/81/61/188228161.db2.gz RZCNZNGZDGLXTA-WBVHZDCISA-N 1 1 288.435 2.854 10 0 CFAEMO Cc1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)ccn1 ZINC000621289690 353317379 /nfs/dbraw/zinc/31/73/79/353317379.db2.gz NFFCTEQFYDYWHV-BBWFWOEESA-N 1 1 274.408 2.906 10 0 CFAEMO CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1scnc1C ZINC000094434642 539999500 /nfs/dbraw/zinc/99/95/00/539999500.db2.gz LPSQAKHKNZPEIC-UONOGXRCSA-N 1 1 279.453 2.900 10 0 CFAEMO CC[C@H]1CN2CCCC[C@@H]2C[N@@H+]1Cc1scnc1C ZINC000094434642 539999502 /nfs/dbraw/zinc/99/95/02/539999502.db2.gz LPSQAKHKNZPEIC-UONOGXRCSA-N 1 1 279.453 2.900 10 0 CFAEMO CC[C@H]1CN2CCCC[C@@H]2C[N@H+]1Cc1scnc1C ZINC000094434642 539999505 /nfs/dbraw/zinc/99/95/05/539999505.db2.gz LPSQAKHKNZPEIC-UONOGXRCSA-N 1 1 279.453 2.900 10 0 CFAEMO CCOc1ccccc1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158831732 188396168 /nfs/dbraw/zinc/39/61/68/188396168.db2.gz RGMDFNVEDFCBTB-DZGCQCFKSA-N 1 1 290.407 2.544 10 0 CFAEMO CC[N@@H+]1CC[C@H](NCc2ccc(Cl)c(OC)c2)C1 ZINC000623551010 353669471 /nfs/dbraw/zinc/66/94/71/353669471.db2.gz HQKQSPKJVJFQKG-LBPRGKRZSA-N 1 1 268.788 2.532 10 0 CFAEMO CC[N@H+]1CC[C@H](NCc2ccc(Cl)c(OC)c2)C1 ZINC000623551010 353669473 /nfs/dbraw/zinc/66/94/73/353669473.db2.gz HQKQSPKJVJFQKG-LBPRGKRZSA-N 1 1 268.788 2.532 10 0 CFAEMO CCC[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)Cc1ccccc1 ZINC000624557791 353906396 /nfs/dbraw/zinc/90/63/96/353906396.db2.gz WISLCHDEZCXITC-WBVHZDCISA-N 1 1 278.440 2.600 10 0 CFAEMO Brc1cnccc1C[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000625262676 354008119 /nfs/dbraw/zinc/00/81/19/354008119.db2.gz ZYBYPUAEDVNCSM-CMPLNLGQSA-N 1 1 267.170 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CC(C)C[C@@H](C)CC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000170781451 394371456 /nfs/dbraw/zinc/37/14/56/394371456.db2.gz URCBAFCATUKPAZ-HUUCEWRRSA-N 1 1 266.429 2.755 10 0 CFAEMO Cc1sc2nc(C[N@@H+]3C[C@@H]4CCC[C@@H]43)nc(N)c2c1C ZINC000540064844 394642202 /nfs/dbraw/zinc/64/22/02/394642202.db2.gz HIHJOVIOHAGWQO-QWRGUYRKSA-N 1 1 288.420 2.875 10 0 CFAEMO Cc1sc2nc(C[N@H+]3C[C@@H]4CCC[C@@H]43)nc(N)c2c1C ZINC000540064844 394642207 /nfs/dbraw/zinc/64/22/07/394642207.db2.gz HIHJOVIOHAGWQO-QWRGUYRKSA-N 1 1 288.420 2.875 10 0 CFAEMO Cc1sc2nc(C[N@@H+]3C[C@@H]4CCC[C@H]43)nc(N)c2c1C ZINC000540064846 394642510 /nfs/dbraw/zinc/64/25/10/394642510.db2.gz HIHJOVIOHAGWQO-WDEREUQCSA-N 1 1 288.420 2.875 10 0 CFAEMO Cc1sc2nc(C[N@H+]3C[C@@H]4CCC[C@H]43)nc(N)c2c1C ZINC000540064846 394642512 /nfs/dbraw/zinc/64/25/12/394642512.db2.gz HIHJOVIOHAGWQO-WDEREUQCSA-N 1 1 288.420 2.875 10 0 CFAEMO CCc1cc(NCC2C[C@H](C)O[C@@H](C)C2)nc(C)[nH+]1 ZINC000281734272 542965769 /nfs/dbraw/zinc/96/57/69/542965769.db2.gz CYJXKQAARPMMAI-QWRGUYRKSA-N 1 1 263.385 2.963 10 0 CFAEMO Cc1nc2ccccc2nc1CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000177755466 542999861 /nfs/dbraw/zinc/99/98/61/542999861.db2.gz YDIXWBUEAFEYLA-OAHLLOKOSA-N 1 1 296.418 2.608 10 0 CFAEMO Cn1cc([C@@H]2CC[N@@H+](Cc3cccc4cnccc43)C2)cn1 ZINC000183332809 543038176 /nfs/dbraw/zinc/03/81/76/543038176.db2.gz IXBSAVAQNSFNNZ-OAHLLOKOSA-N 1 1 292.386 2.958 10 0 CFAEMO Fc1ccc(C[N@H+]2CCC[C@H]2Cn2ccnc2)cc1F ZINC000188402367 543062133 /nfs/dbraw/zinc/06/21/33/543062133.db2.gz PCLVOVGZSSWGFV-ZDUSSCGKSA-N 1 1 277.318 2.826 10 0 CFAEMO CCN1C[C@H](C)[C@H]([NH2+]Cc2cscc2Cl)C1 ZINC000381740584 543089469 /nfs/dbraw/zinc/08/94/69/543089469.db2.gz OWLOOYMFYLEISY-JOYOIKCWSA-N 1 1 258.818 2.831 10 0 CFAEMO CC[N@H+]1C[C@H](C)[C@H](NCc2cscc2Cl)C1 ZINC000381740584 543089466 /nfs/dbraw/zinc/08/94/66/543089466.db2.gz OWLOOYMFYLEISY-JOYOIKCWSA-N 1 1 258.818 2.831 10 0 CFAEMO C[C@H]([NH2+]C[C@H](O)CN1CCCCC1)C1CCCCCC1 ZINC000384047570 543100831 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413180307 /nfs/dbraw/zinc/18/03/07/413180307.db2.gz OXLZOPPVPVNOJN-QWRGUYRKSA-N 1 1 257.337 2.532 10 0 CFAEMO c1snnc1C[NH2+]C[C@H]1CCC2(CCCCC2)O1 ZINC000361656273 296651943 /nfs/dbraw/zinc/65/19/43/296651943.db2.gz RWUWPXDUBIYECJ-GFCCVEGCSA-N 1 1 267.398 2.510 10 0 CFAEMO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccon2)C12CCCC2 ZINC000121188756 286247502 /nfs/dbraw/zinc/24/75/02/286247502.db2.gz AWUJLTQSYIWMQJ-ZIAGYGMSSA-N 1 1 264.369 2.844 10 0 CFAEMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccon2)C12CCCC2 ZINC000121188756 286247503 /nfs/dbraw/zinc/24/75/03/286247503.db2.gz AWUJLTQSYIWMQJ-ZIAGYGMSSA-N 1 1 264.369 2.844 10 0 CFAEMO CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)Cc1ccsc1 ZINC000363681592 156193351 /nfs/dbraw/zinc/19/33/51/156193351.db2.gz CDZZHUZTHUDMJV-HUUCEWRRSA-N 1 1 292.448 2.766 10 0 CFAEMO COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1nc(C)c[nH]1 ZINC000657337418 413467540 /nfs/dbraw/zinc/46/75/40/413467540.db2.gz UVWVRJVHPWFFPP-OAHLLOKOSA-N 1 1 271.364 2.894 10 0 CFAEMO C[C@@H](c1ccc(F)cc1)[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000177216164 287136710 /nfs/dbraw/zinc/13/67/10/287136710.db2.gz JUUDRETZGOMCOW-KEYYUXOJSA-N 1 1 292.398 2.539 10 0 CFAEMO C[N@H+]1CCCC2(OCCO2)[C@H]1Cc1c[nH]c2ccccc12 ZINC000005966361 170163211 /nfs/dbraw/zinc/16/32/11/170163211.db2.gz VFKWEGRQSUYGDI-MRXNPFEDSA-N 1 1 286.375 2.548 10 0 CFAEMO C[C@H]([NH2+][C@@H]1COc2cc(O)ccc21)c1ccccn1 ZINC000020123631 171004603 /nfs/dbraw/zinc/00/46/03/171004603.db2.gz WKNCJMNOYZMHTL-IINYFYTJSA-N 1 1 256.305 2.572 10 0 CFAEMO COc1cccc([C@H](C)NC[C@H](C(C)C)[NH+](C)C)c1 ZINC000020145682 171030915 /nfs/dbraw/zinc/03/09/15/171030915.db2.gz HLXNTIZNISORTI-XJKSGUPXSA-N 1 1 264.413 2.932 10 0 CFAEMO CCc1ccc(C[NH2+]Cc2nnc3ccccn32)cc1 ZINC000020185261 171047743 /nfs/dbraw/zinc/04/77/43/171047743.db2.gz HFOAVCILAYDAFQ-UHFFFAOYSA-N 1 1 266.348 2.582 10 0 CFAEMO CCOc1ccc([C@@H](CN)[N@@H+](C)CC(C)C)cc1 ZINC000020226250 171092293 /nfs/dbraw/zinc/09/22/93/171092293.db2.gz YDNXONPALGWZCR-OAHLLOKOSA-N 1 1 250.386 2.673 10 0 CFAEMO CCOc1ccc([C@@H](C[NH3+])N(C)CC(C)C)cc1 ZINC000020226250 171092297 /nfs/dbraw/zinc/09/22/97/171092297.db2.gz YDNXONPALGWZCR-OAHLLOKOSA-N 1 1 250.386 2.673 10 0 CFAEMO C[C@H]1CC(C)(C)C[C@@](C[NH3+])(N2CCSCC2)C1 ZINC000020257131 171111452 /nfs/dbraw/zinc/11/14/52/171111452.db2.gz HQMNWVCLRCPNOR-JSGCOSHPSA-N 1 1 256.459 2.579 10 0 CFAEMO CCCC[N@@H+](C)C[C@H](N)c1ccc(OC)c(F)c1 ZINC000020260402 171116890 /nfs/dbraw/zinc/11/68/90/171116890.db2.gz XYBYLDLCCWJAFA-ZDUSSCGKSA-N 1 1 254.349 2.566 10 0 CFAEMO CCCCN(C)C[C@H]([NH3+])c1ccc(OC)c(F)c1 ZINC000020260402 171116892 /nfs/dbraw/zinc/11/68/92/171116892.db2.gz XYBYLDLCCWJAFA-ZDUSSCGKSA-N 1 1 254.349 2.566 10 0 CFAEMO CO[C@@H]1C[C@@H](CO)[N@@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC000284604831 196095291 /nfs/dbraw/zinc/09/52/91/196095291.db2.gz QECOASMZPPIPHP-JKSUJKDBSA-N 1 1 277.408 2.566 10 0 CFAEMO C[N@H+]1CCCC[C@H]1COc1ccc(N)cc1Cl ZINC000020351973 171155922 /nfs/dbraw/zinc/15/59/22/171155922.db2.gz NPAOLBUJLVZCIR-NSHDSACASA-N 1 1 254.761 2.785 10 0 CFAEMO CC(C)c1cccc(OC[C@H](CN)[NH+]2CCCC2)c1 ZINC000020400562 171181641 /nfs/dbraw/zinc/18/16/41/171181641.db2.gz AXMRWSNMDQQDKT-HNNXBMFYSA-N 1 1 262.397 2.612 10 0 CFAEMO Cc1n[nH]c(CCC[N@H+]2CC[C@@H](C3CCCCC3)C2)n1 ZINC000020500857 171227323 /nfs/dbraw/zinc/22/73/23/171227323.db2.gz AYIVKRZNYLVQLK-OAHLLOKOSA-N 1 1 276.428 2.948 10 0 CFAEMO Cc1nc(CCC[N@@H+]2CC[C@@H](C3CCCCC3)C2)n[nH]1 ZINC000020500857 171227325 /nfs/dbraw/zinc/22/73/25/171227325.db2.gz AYIVKRZNYLVQLK-OAHLLOKOSA-N 1 1 276.428 2.948 10 0 CFAEMO Cc1nc(CCC[N@H+]2CC[C@@H](C3CCCCC3)C2)n[nH]1 ZINC000020500857 171227326 /nfs/dbraw/zinc/22/73/26/171227326.db2.gz AYIVKRZNYLVQLK-OAHLLOKOSA-N 1 1 276.428 2.948 10 0 CFAEMO Cc1nnc(CCC[N@@H+]2CC[C@@H](C3CCCCC3)C2)[nH]1 ZINC000020500857 171227327 /nfs/dbraw/zinc/22/73/27/171227327.db2.gz AYIVKRZNYLVQLK-OAHLLOKOSA-N 1 1 276.428 2.948 10 0 CFAEMO Cc1nnc(CCC[N@H+]2CC[C@@H](C3CCCCC3)C2)[nH]1 ZINC000020500857 171227329 /nfs/dbraw/zinc/22/73/29/171227329.db2.gz AYIVKRZNYLVQLK-OAHLLOKOSA-N 1 1 276.428 2.948 10 0 CFAEMO Cc1c(N)cccc1NC(=O)CC[N@@H+]1CCC[C@@H](C)C1 ZINC000022154112 171361391 /nfs/dbraw/zinc/36/13/91/171361391.db2.gz AOIVBCCFKDNKBT-GFCCVEGCSA-N 1 1 275.396 2.638 10 0 CFAEMO C[C@H]1CCC[N@@H+](CCC(=O)Nc2cc(Cl)ccc2N)C1 ZINC000022155642 171362372 /nfs/dbraw/zinc/36/23/72/171362372.db2.gz YFNUEEUSZLMTMS-NSHDSACASA-N 1 1 295.814 2.983 10 0 CFAEMO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(N)cc2Cl)C1 ZINC000022155879 171362728 /nfs/dbraw/zinc/36/27/28/171362728.db2.gz HXYZNRUVMTYYRW-LLVKDONJSA-N 1 1 295.814 2.983 10 0 CFAEMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)Nc2ccc(Cl)cc2N)C1 ZINC000022170321 171367950 /nfs/dbraw/zinc/36/79/50/171367950.db2.gz QWEAVMNGHGTURR-PHIMTYICSA-N 1 1 295.814 2.839 10 0 CFAEMO C[C@H]1CCC[C@H](C)[NH+]1CC(=O)Nc1cc(N)ccc1F ZINC000022173156 171368729 /nfs/dbraw/zinc/36/87/29/171368729.db2.gz OMKYWHOWLCEBES-QWRGUYRKSA-N 1 1 279.359 2.609 10 0 CFAEMO CC(C)[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(N)cc1Cl ZINC000022173737 171369486 /nfs/dbraw/zinc/36/94/86/171369486.db2.gz GXEYQXINLSXLGO-VIFPVBQESA-N 1 1 269.776 2.589 10 0 CFAEMO CC(C)[N@H+](C)[C@@H](CN)c1ccc(OC(F)F)cc1 ZINC000022215202 171375362 /nfs/dbraw/zinc/37/53/62/171375362.db2.gz URSRRKWMFXZCME-LBPRGKRZSA-N 1 1 258.312 2.628 10 0 CFAEMO CC(C)[N@@H+](C)[C@@H](CN)c1ccc(OC(F)F)cc1 ZINC000022215202 171375363 /nfs/dbraw/zinc/37/53/63/171375363.db2.gz URSRRKWMFXZCME-LBPRGKRZSA-N 1 1 258.312 2.628 10 0 CFAEMO CCCOc1ccc([C@@H](N)C[NH+](C)C)cc1OCCC ZINC000022565922 171392074 /nfs/dbraw/zinc/39/20/74/171392074.db2.gz SNOVOKBJYCUUMP-AWEZNQCLSA-N 1 1 280.412 2.826 10 0 CFAEMO C[C@](N)(C[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000035619399 172299559 /nfs/dbraw/zinc/29/95/59/172299559.db2.gz VYEDDZVAKXCQTH-SFHVURJKSA-N 1 1 266.388 2.919 10 0 CFAEMO C[C@](N)(C[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000035619399 172299562 /nfs/dbraw/zinc/29/95/62/172299562.db2.gz VYEDDZVAKXCQTH-SFHVURJKSA-N 1 1 266.388 2.919 10 0 CFAEMO CCC[N@@H+](CCc1nc2cc(N)ccc2[nH]1)C(C)C ZINC000035659164 172335436 /nfs/dbraw/zinc/33/54/36/172335436.db2.gz XPFJJUBPYHOUOT-UHFFFAOYSA-N 1 1 260.385 2.808 10 0 CFAEMO CCC[N@H+](CCc1nc2ccc(N)cc2[nH]1)C(C)C ZINC000035659164 172335440 /nfs/dbraw/zinc/33/54/40/172335440.db2.gz XPFJJUBPYHOUOT-UHFFFAOYSA-N 1 1 260.385 2.808 10 0 CFAEMO CCC[N@@H+](CCc1nc2ccc(N)cc2[nH]1)C(C)C ZINC000035659164 172335443 /nfs/dbraw/zinc/33/54/43/172335443.db2.gz XPFJJUBPYHOUOT-UHFFFAOYSA-N 1 1 260.385 2.808 10 0 CFAEMO CN1C[C@@H](CNc2cc[nH+]c3cc(Cl)ccc23)CC1=O ZINC000664460597 413784969 /nfs/dbraw/zinc/78/49/69/413784969.db2.gz KKBSKTZYHYNBBD-SNVBAGLBSA-N 1 1 289.766 2.778 10 0 CFAEMO CCCCC[N@@H+](C)Cc1ccc(C(N)=S)cc1 ZINC000037171684 173005329 /nfs/dbraw/zinc/00/53/29/173005329.db2.gz IUVWBONTPLVZPH-UHFFFAOYSA-N 1 1 250.411 2.943 10 0 CFAEMO Cc1ccc([C@@H]([NH3+])c2noc(C(F)(F)F)n2)cc1C ZINC000037180359 173013006 /nfs/dbraw/zinc/01/30/06/173013006.db2.gz DIXATUPFVNBOKJ-SECBINFHSA-N 1 1 271.242 2.753 10 0 CFAEMO C[NH+](C)CCN[C@@H](CC(F)(F)F)c1ccccc1 ZINC000037184161 173016584 /nfs/dbraw/zinc/01/65/84/173016584.db2.gz KJRXXQVILNPQKE-LBPRGKRZSA-N 1 1 260.303 2.831 10 0 CFAEMO C[C@@H](NCc1ccc(F)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000037210005 173032005 /nfs/dbraw/zinc/03/20/05/173032005.db2.gz KEXWCUKQUWBRQY-TZMCWYRMSA-N 1 1 250.361 2.646 10 0 CFAEMO C[C@@H](NCc1ccc(F)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000037210005 173032008 /nfs/dbraw/zinc/03/20/08/173032008.db2.gz KEXWCUKQUWBRQY-TZMCWYRMSA-N 1 1 250.361 2.646 10 0 CFAEMO C[C@@H]([NH2+]Cc1ccc(F)cc1)[C@@H]1CCCN(C)C1 ZINC000037210005 173032010 /nfs/dbraw/zinc/03/20/10/173032010.db2.gz KEXWCUKQUWBRQY-TZMCWYRMSA-N 1 1 250.361 2.646 10 0 CFAEMO COc1ccc([C@@H]([NH2+]CCCN(C)C)C2CC2)cc1 ZINC000037213679 173034636 /nfs/dbraw/zinc/03/46/36/173034636.db2.gz HRDGMLOXYZLOER-INIZCTEOSA-N 1 1 262.397 2.688 10 0 CFAEMO COc1nc2sccn2c1C[NH2+][C@@H](C)c1cccnc1 ZINC000037228929 173048957 /nfs/dbraw/zinc/04/89/57/173048957.db2.gz UXRDZHCICIKYJL-JTQLQIEISA-N 1 1 288.376 2.650 10 0 CFAEMO NC(=O)CC[NH2+][C@@H](c1ccco1)c1ccc(Cl)s1 ZINC000037262081 173071891 /nfs/dbraw/zinc/07/18/91/173071891.db2.gz AGSXNFWTVAMUGX-LBPRGKRZSA-N 1 1 284.768 2.549 10 0 CFAEMO CC[N@H+](CC(=O)Nc1cc(N)ccc1Cl)CC(C)C ZINC000037273440 173085418 /nfs/dbraw/zinc/08/54/18/173085418.db2.gz KEHWFJHGPRKXRP-UHFFFAOYSA-N 1 1 283.803 2.839 10 0 CFAEMO CC[N@H+](C)[C@@H](CN)c1c(OC)ccc2ccccc21 ZINC000037290094 173095224 /nfs/dbraw/zinc/09/52/24/173095224.db2.gz BNUGDZIFEXPNQU-AWEZNQCLSA-N 1 1 258.365 2.800 10 0 CFAEMO CC[N@@H+](C)[C@@H](CN)c1c(OC)ccc2ccccc21 ZINC000037290094 173095227 /nfs/dbraw/zinc/09/52/27/173095227.db2.gz BNUGDZIFEXPNQU-AWEZNQCLSA-N 1 1 258.365 2.800 10 0 CFAEMO CCN(CC)CC[NH2+]Cc1cc2c(c(Cl)c1)OCO2 ZINC000037302042 173106934 /nfs/dbraw/zinc/10/69/34/173106934.db2.gz GCNMCJPWWHHHMC-UHFFFAOYSA-N 1 1 284.787 2.500 10 0 CFAEMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)Cc2ccc(F)cc2)C1 ZINC000037331934 173133239 /nfs/dbraw/zinc/13/32/39/173133239.db2.gz WLSKXCYGFIWHAH-BETUJISGSA-N 1 1 263.356 2.915 10 0 CFAEMO CCC[NH2+][C@](C)(C(N)=O)c1ccc(Cl)cc1Cl ZINC000037513783 173245028 /nfs/dbraw/zinc/24/50/28/173245028.db2.gz CACSRPHUVJEDGU-LBPRGKRZSA-N 1 1 275.179 2.694 10 0 CFAEMO C[N@@H+](C1CCCC1)[C@]1(CN)CCc2ccccc2C1 ZINC000037515726 173247665 /nfs/dbraw/zinc/24/76/65/173247665.db2.gz OQKAEJSZVNOUBZ-QGZVFWFLSA-N 1 1 258.409 2.747 10 0 CFAEMO O[C@@H](COCc1ccccc1)C[N@H+]1CCC[C@H](CCF)C1 ZINC000661691725 414131611 /nfs/dbraw/zinc/13/16/11/414131611.db2.gz ALJCCYUZSQNELY-NVXWUHKLSA-N 1 1 295.398 2.636 10 0 CFAEMO O[C@@H](COCc1ccccc1)C[N@H+]1CCC[C@@H](CCF)C1 ZINC000661691724 414134722 /nfs/dbraw/zinc/13/47/22/414134722.db2.gz ALJCCYUZSQNELY-DOTOQJQBSA-N 1 1 295.398 2.636 10 0 CFAEMO CCCn1c(C[NH2+]Cc2c[nH]nc2C)nc2ccccc21 ZINC000038046890 174056129 /nfs/dbraw/zinc/05/61/29/174056129.db2.gz ZFFWPIQFQVAVSH-UHFFFAOYSA-N 1 1 283.379 2.768 10 0 CFAEMO CC[C@@H](C)[NH2+][C@@H](C(N)=O)c1cccc(Cl)c1Cl ZINC000038064794 174075454 /nfs/dbraw/zinc/07/54/54/174075454.db2.gz PYCLCAFBWRLGIG-RDDDGLTNSA-N 1 1 275.179 2.908 10 0 CFAEMO CC[C@@H](C)[NH2+][C@@H](C(N)=O)c1ccc(Cl)cc1Cl ZINC000038065330 174075863 /nfs/dbraw/zinc/07/58/63/174075863.db2.gz KWOGOEZEHJZXBN-RDDDGLTNSA-N 1 1 275.179 2.908 10 0 CFAEMO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C(N)=O)o1 ZINC000038097566 174112075 /nfs/dbraw/zinc/11/20/75/174112075.db2.gz OJEZIGBFEQBGJT-NSHDSACASA-N 1 1 258.321 2.538 10 0 CFAEMO OC[C@H]([NH2+]Cc1cccs1)c1cc(F)ccc1F ZINC000038123902 174131215 /nfs/dbraw/zinc/13/12/15/174131215.db2.gz FJUQUGZTYIUMDW-ZDUSSCGKSA-N 1 1 269.316 2.850 10 0 CFAEMO CC(=O)Oc1cccc2[nH]cc(CC[N@H+](C)C(C)C)c21 ZINC000038600238 174149464 /nfs/dbraw/zinc/14/94/64/174149464.db2.gz CIDMXLOVFPIHDS-UHFFFAOYSA-N 1 1 274.364 2.976 10 0 in-vitro CFAEMO CCC[NH+](CCC)[C@H](CN)c1ccccc1OC ZINC000038785087 174155594 /nfs/dbraw/zinc/15/55/94/174155594.db2.gz ICECDAFFCGOHJG-CQSZACIVSA-N 1 1 250.386 2.817 10 0 CFAEMO CC[NH+](CC)[C@H](CN)c1cccc(Br)c1 ZINC000038827631 174157118 /nfs/dbraw/zinc/15/71/18/174157118.db2.gz YBDLXDJNDOVBOM-GFCCVEGCSA-N 1 1 271.202 2.791 10 0 CFAEMO CCCN(CCC)[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000038860028 174158181 /nfs/dbraw/zinc/15/81/81/174158181.db2.gz IICFCWNGBOTEAV-OAHLLOKOSA-N 1 1 250.386 2.817 10 0 CFAEMO O=C(NC1CC1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038850074 174158214 /nfs/dbraw/zinc/15/82/14/174158214.db2.gz IHNRYCZDVQCKHP-ZDUSSCGKSA-N 1 1 292.810 2.831 10 0 CFAEMO O[C@@H](Cc1[nH]cc[nH+]1)c1ccc(Br)cc1F ZINC000040261530 174217025 /nfs/dbraw/zinc/21/70/25/174217025.db2.gz DRFUWPSMUBPJIG-JTQLQIEISA-N 1 1 285.116 2.587 10 0 CFAEMO O[C@H](Cc1[nH]cc[nH+]1)c1ccc(F)cc1Br ZINC000040261499 174217351 /nfs/dbraw/zinc/21/73/51/174217351.db2.gz ZOOGZVHJMXNUND-SNVBAGLBSA-N 1 1 285.116 2.587 10 0 CFAEMO O[C@H](Cc1[nH]cc[nH+]1)c1ccccc1C(F)(F)F ZINC000040261337 174217430 /nfs/dbraw/zinc/21/74/30/174217430.db2.gz UTGHGBXVHPLMLW-SNVBAGLBSA-N 1 1 256.227 2.705 10 0 CFAEMO c1csc(CNC[C@@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000040397612 174253475 /nfs/dbraw/zinc/25/34/75/174253475.db2.gz HUAFREPBJRNGOP-AWEZNQCLSA-N 1 1 258.390 2.552 10 0 CFAEMO CCOc1ccccc1CN[C@@H]1CCC[N@H+](CC)C1 ZINC000040502030 174298305 /nfs/dbraw/zinc/29/83/05/174298305.db2.gz YIINEQBMTKQQGW-OAHLLOKOSA-N 1 1 262.397 2.659 10 0 CFAEMO CCOc1ccccc1CN[C@@H]1CCC[N@@H+](CC)C1 ZINC000040502030 174298308 /nfs/dbraw/zinc/29/83/08/174298308.db2.gz YIINEQBMTKQQGW-OAHLLOKOSA-N 1 1 262.397 2.659 10 0 CFAEMO CC[C@H]1CCCN1c1[nH+]c(C)cc(C)c1C(N)=S ZINC000040514900 174306486 /nfs/dbraw/zinc/30/64/86/174306486.db2.gz MJUBRJHKZCDGKU-NSHDSACASA-N 1 1 263.410 2.711 10 0 CFAEMO CC(C)[N@H+]1CC[C@@H](CN[C@@H]2CCOc3ccccc32)C1 ZINC000040622102 174355121 /nfs/dbraw/zinc/35/51/21/174355121.db2.gz ZXOLZMUQFIORRN-GOEBONIOSA-N 1 1 274.408 2.830 10 0 CFAEMO C[N@H+]1[C@@H]2CC[C@H]1CC(NCc1cc3c(s1)CCC3)C2 ZINC000040625994 174356247 /nfs/dbraw/zinc/35/62/47/174356247.db2.gz ZBAXFTVRWISMSR-AGUYFDCRSA-N 1 1 276.449 2.952 10 0 CFAEMO C[N@@H+]1[C@@H]2CC[C@H]1CC(NCc1cc3c(s1)CCC3)C2 ZINC000040625994 174356248 /nfs/dbraw/zinc/35/62/48/174356248.db2.gz ZBAXFTVRWISMSR-AGUYFDCRSA-N 1 1 276.449 2.952 10 0 CFAEMO CN1[C@@H]2CC[C@H]1CC([NH2+]Cc1cc3c(s1)CCC3)C2 ZINC000040625994 174356250 /nfs/dbraw/zinc/35/62/50/174356250.db2.gz ZBAXFTVRWISMSR-AGUYFDCRSA-N 1 1 276.449 2.952 10 0 CFAEMO C[N@H+]1CCC[C@@H](Nc2ccc(C(F)(F)F)cn2)C1 ZINC000040673534 174372110 /nfs/dbraw/zinc/37/21/10/174372110.db2.gz ZIUUHXRLZLUYPK-SNVBAGLBSA-N 1 1 259.275 2.607 10 0 CFAEMO CCOC1CCN([C@@]2(C[NH3+])CCCc3ccccc32)CC1 ZINC000040678747 174374863 /nfs/dbraw/zinc/37/48/63/174374863.db2.gz GSOOFLAAWKKSIC-GOSISDBHSA-N 1 1 288.435 2.678 10 0 CFAEMO C[C@@H]1CC[N@@H+](CCCC(=O)Nc2cc(Cl)ccc2N)C1 ZINC000040716876 174384396 /nfs/dbraw/zinc/38/43/96/174384396.db2.gz ZWYCTJLNTMONIS-LLVKDONJSA-N 1 1 295.814 2.983 10 0 CFAEMO CCN(CC)c1nc[nH+]c(NCCc2ccccc2)c1N ZINC000040723153 174385451 /nfs/dbraw/zinc/38/54/51/174385451.db2.gz YJLHLSNFQMRAEU-UHFFFAOYSA-N 1 1 285.395 2.560 10 0 CFAEMO CCN(CC)c1[nH+]cnc(NCCc2ccccc2)c1N ZINC000040723153 174385452 /nfs/dbraw/zinc/38/54/52/174385452.db2.gz YJLHLSNFQMRAEU-UHFFFAOYSA-N 1 1 285.395 2.560 10 0 CFAEMO Nc1c(NCCC2=CCCCC2)[nH+]cnc1N1CCCC1 ZINC000040724302 174386563 /nfs/dbraw/zinc/38/65/63/174386563.db2.gz WGDYJUWAZOIFOF-UHFFFAOYSA-N 1 1 287.411 2.961 10 0 CFAEMO Nc1c(NCCC2=CCCCC2)nc[nH+]c1N1CCCC1 ZINC000040724302 174386565 /nfs/dbraw/zinc/38/65/65/174386565.db2.gz WGDYJUWAZOIFOF-UHFFFAOYSA-N 1 1 287.411 2.961 10 0 CFAEMO CCN(CCOc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748226 174393160 /nfs/dbraw/zinc/39/31/60/174393160.db2.gz IUAOXTYIRIEYDO-XYPWUTKMSA-N 1 1 274.408 2.670 10 0 CFAEMO CCOc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c1 ZINC000040749440 174393673 /nfs/dbraw/zinc/39/36/73/174393673.db2.gz CDPIZZRUGWGYRO-GOOCMWNKSA-N 1 1 260.381 2.539 10 0 CFAEMO CCOc1cccc(CN2[C@@H]3CC[C@H]2CC([NH3+])C3)c1 ZINC000040749440 174393674 /nfs/dbraw/zinc/39/36/74/174393674.db2.gz CDPIZZRUGWGYRO-GOOCMWNKSA-N 1 1 260.381 2.539 10 0 CFAEMO COc1cc([C@H](C)NCC[NH+]2CCCCCC2)ccc1O ZINC000040767272 174398239 /nfs/dbraw/zinc/39/82/39/174398239.db2.gz ASECGEVFVJNQHU-AWEZNQCLSA-N 1 1 292.423 2.927 10 0 CFAEMO Cc1ncsc1[C@H](C)NCC[NH+]1CCCCCC1 ZINC000040767938 174398385 /nfs/dbraw/zinc/39/83/85/174398385.db2.gz AUDJGGXXVCEKHZ-LBPRGKRZSA-N 1 1 267.442 2.978 10 0 CFAEMO CCOC(=O)[C@H]([NH2+]CC(C)C)[C@@H](C)c1ccccc1 ZINC000041085878 174476839 /nfs/dbraw/zinc/47/68/39/174476839.db2.gz BRBGSVOXKPBCJX-DZGCQCFKSA-N 1 1 263.381 2.967 10 0 CFAEMO CC[C@@H](CC(N)=S)[N@@H+](C)Cc1ccccc1C ZINC000042436048 174732080 /nfs/dbraw/zinc/73/20/80/174732080.db2.gz QRPWAQBPYAAWTA-ZDUSSCGKSA-N 1 1 250.411 2.882 10 0 CFAEMO CC[N@@H+]([C@@H](CN)c1cccc(C)c1C)[C@@H](C)COC ZINC000043315052 175004610 /nfs/dbraw/zinc/00/46/10/175004610.db2.gz VLPSZFQXXQNKGH-BBRMVZONSA-N 1 1 264.413 2.660 10 0 CFAEMO CC[N@H+]([C@@H](CN)c1cccc(C)c1C)[C@@H](C)COC ZINC000043315052 175004611 /nfs/dbraw/zinc/00/46/11/175004611.db2.gz VLPSZFQXXQNKGH-BBRMVZONSA-N 1 1 264.413 2.660 10 0 CFAEMO Cc1cccc([C@H](CN)[N@H+](C)CCc2ccccn2)c1C ZINC000043314518 175004900 /nfs/dbraw/zinc/00/49/00/175004900.db2.gz MQULFPVQEQCLTF-SFHVURJKSA-N 1 1 283.419 2.873 10 0 CFAEMO Cc1cccc([C@H](CN)[N@@H+](C)CCc2ccccn2)c1C ZINC000043314518 175004902 /nfs/dbraw/zinc/00/49/02/175004902.db2.gz MQULFPVQEQCLTF-SFHVURJKSA-N 1 1 283.419 2.873 10 0 CFAEMO C[C@H](Cc1cccc(Cl)c1)N[C@@H]1CCC[NH2+]C1 ZINC000043326316 175007630 /nfs/dbraw/zinc/00/76/30/175007630.db2.gz IQCOCKJJEIALAR-BXUZGUMPSA-N 1 1 252.789 2.613 10 0 CFAEMO CC[C@@H](N)[C@H](c1ccccn1)[N@H+](CC(C)C)C1CC1 ZINC000043340926 175015447 /nfs/dbraw/zinc/01/54/47/175015447.db2.gz ZMPKDWAPGFXUNC-GDBMZVCRSA-N 1 1 261.413 2.980 10 0 CFAEMO CC[C@@H](N)[C@H](c1ccccn1)[N@@H+](CC(C)C)C1CC1 ZINC000043340926 175015450 /nfs/dbraw/zinc/01/54/50/175015450.db2.gz ZMPKDWAPGFXUNC-GDBMZVCRSA-N 1 1 261.413 2.980 10 0 CFAEMO CC[C@@H](N)[C@@H](c1ccccn1)[N@H+](CC1CC1)C(C)C ZINC000043340964 175015538 /nfs/dbraw/zinc/01/55/38/175015538.db2.gz VUCKBZIXOPIQLX-ZBFHGGJFSA-N 1 1 261.413 2.980 10 0 CFAEMO CC[C@@H](N)[C@@H](c1ccccn1)[N@@H+](CC1CC1)C(C)C ZINC000043340964 175015540 /nfs/dbraw/zinc/01/55/40/175015540.db2.gz VUCKBZIXOPIQLX-ZBFHGGJFSA-N 1 1 261.413 2.980 10 0 CFAEMO CC[C@H](N)[C@@H](c1cccnc1)[N@H+](CC(C)C)C1CC1 ZINC000043348384 175018578 /nfs/dbraw/zinc/01/85/78/175018578.db2.gz UXLVTCDPYXHEIK-JKSUJKDBSA-N 1 1 261.413 2.980 10 0 CFAEMO CC[C@H](N)[C@@H](c1cccnc1)[N@@H+](CC(C)C)C1CC1 ZINC000043348384 175018580 /nfs/dbraw/zinc/01/85/80/175018580.db2.gz UXLVTCDPYXHEIK-JKSUJKDBSA-N 1 1 261.413 2.980 10 0 CFAEMO COCC[N@H+](CC(C)C)[C@H](c1ccc(C)o1)[C@@H](C)N ZINC000043364967 175025788 /nfs/dbraw/zinc/02/57/88/175025788.db2.gz FDCLFQVYQDBYDI-HIFRSBDPSA-N 1 1 268.401 2.581 10 0 CFAEMO COCC[N@@H+](CC(C)C)[C@H](c1ccc(C)o1)[C@@H](C)N ZINC000043364967 175025791 /nfs/dbraw/zinc/02/57/91/175025791.db2.gz FDCLFQVYQDBYDI-HIFRSBDPSA-N 1 1 268.401 2.581 10 0 CFAEMO CC(C)[C@H]([NH3+])c1nc(-c2cc(F)cc(F)c2)no1 ZINC000043387469 175033110 /nfs/dbraw/zinc/03/31/10/175033110.db2.gz ZNOIZCOTLIZHIX-JTQLQIEISA-N 1 1 253.252 2.671 10 0 CFAEMO CC(C)C[N@@H+](CCC(N)=S)Cc1ccc(F)cc1 ZINC000043418542 175038715 /nfs/dbraw/zinc/03/87/15/175038715.db2.gz JIDSMQLHKCTRLP-UHFFFAOYSA-N 1 1 268.401 2.960 10 0 CFAEMO Nc1ccc(F)cc1C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000043424012 175039951 /nfs/dbraw/zinc/03/99/51/175039951.db2.gz SSAMQLHAXKBYIE-LSDHHAIUSA-N 1 1 264.344 2.551 10 0 CFAEMO Nc1ccc(F)cc1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000043424012 175039953 /nfs/dbraw/zinc/03/99/53/175039953.db2.gz SSAMQLHAXKBYIE-LSDHHAIUSA-N 1 1 264.344 2.551 10 0 CFAEMO Cc1c(N)cccc1C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000043424013 175040296 /nfs/dbraw/zinc/04/02/96/175040296.db2.gz XGIIYJMENHPKPM-HOTGVXAUSA-N 1 1 260.381 2.721 10 0 CFAEMO CC(C)C[C@H]([NH2+]C1[C@@H]2CCC[C@H]1C[N@@H+](C(C)C)C2)C(=O)[O-] ZINC000043434396 175044567 /nfs/dbraw/zinc/04/45/67/175044567.db2.gz GBBBEGNKMFBHMR-QGPPMGRFSA-N 1 1 296.455 2.584 10 0 CFAEMO CC[N@H+](Cc1cc(F)ccc1F)C[C@@H](C)C(N)=S ZINC000043458727 175050536 /nfs/dbraw/zinc/05/05/36/175050536.db2.gz SNMAUGQYLYBKKK-SECBINFHSA-N 1 1 272.364 2.709 10 0 CFAEMO CC[N@@H+](C[C@H](O)c1ccc(C)c(C)c1)[C@@H](C)COC ZINC000043560084 175066533 /nfs/dbraw/zinc/06/65/33/175066533.db2.gz IOKSDNRITYYQDP-HOCLYGCPSA-N 1 1 265.397 2.694 10 0 CFAEMO C[NH2+][C@H](c1nccn1C)c1ccc(F)c(C(F)(F)F)c1 ZINC000043567016 175067552 /nfs/dbraw/zinc/06/75/52/175067552.db2.gz WLLWJBRHMAGZSG-NSHDSACASA-N 1 1 287.260 2.887 10 0 CFAEMO C[N@H+]1CCC[C@H]1CCOc1ccc(N)cc1Br ZINC000043597788 175077410 /nfs/dbraw/zinc/07/74/10/175077410.db2.gz CJLIRNSRYXMVES-NSHDSACASA-N 1 1 299.212 2.894 10 0 CFAEMO COc1cc(OC)c([C@@H]([NH3+])c2ccc(C)o2)cc1OC ZINC000043610119 175078667 /nfs/dbraw/zinc/07/86/67/175078667.db2.gz BJOCHTXSMBXVJV-OAHLLOKOSA-N 1 1 277.320 2.662 10 0 CFAEMO Cc1cc(N)n([C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000043664730 175086257 /nfs/dbraw/zinc/08/62/57/175086257.db2.gz ITZFCASDEJKEAY-HNNXBMFYSA-N 1 1 270.380 2.611 10 0 CFAEMO Cc1ccc([C@H](C)NC(=O)NCC[N@H+]2CCC[C@H](C)C2)o1 ZINC000043722926 175104938 /nfs/dbraw/zinc/10/49/38/175104938.db2.gz ONFLGRGLNOKANM-JSGCOSHPSA-N 1 1 293.411 2.680 10 0 CFAEMO CCN1CCN(C[C@H]([NH2+]C)c2c(C)cc(C)cc2C)CC1 ZINC000043805824 175107374 /nfs/dbraw/zinc/10/73/74/175107374.db2.gz OTLFTUOTPWPGLK-KRWDZBQOSA-N 1 1 289.467 2.510 10 0 CFAEMO CCN[C@H]1c2ccccc2C[C@@H]1[NH+]1CCC(C)CC1 ZINC000043806671 175108241 /nfs/dbraw/zinc/10/82/41/175108241.db2.gz CTDWTNKDIHMTTP-IRXDYDNUSA-N 1 1 258.409 2.994 10 0 CFAEMO CC[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)N1CCN(CC)CC1 ZINC000043806061 175108707 /nfs/dbraw/zinc/10/87/07/175108707.db2.gz XSMIRBXRPZZKEB-SJLPKXTDSA-N 1 1 289.467 2.672 10 0 CFAEMO CC[NH2+][C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1N1CCN(CC)CC1 ZINC000043806024 175108716 /nfs/dbraw/zinc/10/87/16/175108716.db2.gz OFEPYTKDKVLDHZ-BBWFWOEESA-N 1 1 295.515 2.817 10 0 CFAEMO CCC[NH2+][C@@H](CN1CCN(C)CC1)c1cc(C)ccc1C ZINC000043811019 175110504 /nfs/dbraw/zinc/11/05/04/175110504.db2.gz AFRWTSFNRVBXLC-SFHVURJKSA-N 1 1 289.467 2.592 10 0 CFAEMO CN[C@@H]1c2ccc(OC)cc2CC[C@H]1[NH+]1CCCCC1 ZINC000043814097 175111488 /nfs/dbraw/zinc/11/14/88/175111488.db2.gz SXWLAZDNFXWHHJ-IAGOWNOFSA-N 1 1 274.408 2.756 10 0 CFAEMO CN[C@@H](C[N@H+]1[C@H](C)CCC[C@@H]1C)c1ccc2c(c1)OCO2 ZINC000043815516 175112474 /nfs/dbraw/zinc/11/24/74/175112474.db2.gz INDJBRURSFNJFY-GUTXKFCHSA-N 1 1 290.407 2.939 10 0 CFAEMO CN[C@@H](C[N@@H+]1[C@H](C)CCC[C@@H]1C)c1ccc2c(c1)OCO2 ZINC000043815516 175112475 /nfs/dbraw/zinc/11/24/75/175112475.db2.gz INDJBRURSFNJFY-GUTXKFCHSA-N 1 1 290.407 2.939 10 0 CFAEMO CC[N@H+](C[C@@H](NC)c1ccccc1OC)C(C)C ZINC000043824020 175114548 /nfs/dbraw/zinc/11/45/48/175114548.db2.gz WEDGBJAFZCOHAA-CQSZACIVSA-N 1 1 250.386 2.686 10 0 CFAEMO CC[N@@H+](C[C@@H](NC)c1ccccc1OC)C(C)C ZINC000043824020 175114550 /nfs/dbraw/zinc/11/45/50/175114550.db2.gz WEDGBJAFZCOHAA-CQSZACIVSA-N 1 1 250.386 2.686 10 0 CFAEMO CC[N@H+](C[C@H](NC)c1ccc(OC)cc1)C(C)C ZINC000043824064 175114787 /nfs/dbraw/zinc/11/47/87/175114787.db2.gz GTLFDIJUASHBMY-HNNXBMFYSA-N 1 1 250.386 2.686 10 0 CFAEMO CC[N@@H+](C[C@H](NC)c1ccc(OC)cc1)C(C)C ZINC000043824064 175114788 /nfs/dbraw/zinc/11/47/88/175114788.db2.gz GTLFDIJUASHBMY-HNNXBMFYSA-N 1 1 250.386 2.686 10 0 CFAEMO CC[N@H+](C[C@@H](NC)c1cc(C)ccc1OC)C(C)C ZINC000043824210 175114848 /nfs/dbraw/zinc/11/48/48/175114848.db2.gz JCLWRBUHRGRZRL-OAHLLOKOSA-N 1 1 264.413 2.994 10 0 CFAEMO CC[N@@H+](C[C@@H](NC)c1cc(C)ccc1OC)C(C)C ZINC000043824210 175114849 /nfs/dbraw/zinc/11/48/49/175114849.db2.gz JCLWRBUHRGRZRL-OAHLLOKOSA-N 1 1 264.413 2.994 10 0 CFAEMO CCC[N@H+](C)C[C@@H](NC)c1ccc(OCC)cc1 ZINC000043885897 175116635 /nfs/dbraw/zinc/11/66/35/175116635.db2.gz WAMBBKYWTFHBDZ-OAHLLOKOSA-N 1 1 250.386 2.688 10 0 CFAEMO CCC[N@@H+](C)C[C@@H](NC)c1ccc(OCC)cc1 ZINC000043885897 175116636 /nfs/dbraw/zinc/11/66/36/175116636.db2.gz WAMBBKYWTFHBDZ-OAHLLOKOSA-N 1 1 250.386 2.688 10 0 CFAEMO CCOc1ccccc1[C@@H](C[N@H+](C)CC(C)C)NC ZINC000043886619 175116862 /nfs/dbraw/zinc/11/68/62/175116862.db2.gz NUILWBQFFDLPEZ-OAHLLOKOSA-N 1 1 264.413 2.934 10 0 CFAEMO CCOc1ccccc1[C@@H](C[N@@H+](C)CC(C)C)NC ZINC000043886619 175116863 /nfs/dbraw/zinc/11/68/63/175116863.db2.gz NUILWBQFFDLPEZ-OAHLLOKOSA-N 1 1 264.413 2.934 10 0 CFAEMO CCC[N@H+](CC)C[C@H](NC)c1ccc2c(c1)OCCCO2 ZINC000043884419 175117167 /nfs/dbraw/zinc/11/71/67/175117167.db2.gz DCKVPHSBFADTFY-HNNXBMFYSA-N 1 1 292.423 2.840 10 0 CFAEMO CCC[N@@H+](CC)C[C@H](NC)c1ccc2c(c1)OCCCO2 ZINC000043884419 175117169 /nfs/dbraw/zinc/11/71/69/175117169.db2.gz DCKVPHSBFADTFY-HNNXBMFYSA-N 1 1 292.423 2.840 10 0 CFAEMO CC[C@H]([C@H](NC)c1ccccc1)[NH+]1CCC(OC)CC1 ZINC000043890077 175117501 /nfs/dbraw/zinc/11/75/01/175117501.db2.gz GAXAIUXWRRISIT-IAGOWNOFSA-N 1 1 276.424 2.837 10 0 CFAEMO CN[C@@H](C[N@@H+](C)[C@@H](C)C(C)C)c1ccc2c(c1)OCO2 ZINC000043895330 175119082 /nfs/dbraw/zinc/11/90/82/175119082.db2.gz KCKHHBLTFHKXSG-JSGCOSHPSA-N 1 1 278.396 2.652 10 0 CFAEMO C[NH2+][C@@H](CN(C)[C@@H](C)C(C)C)c1ccc2c(c1)OCO2 ZINC000043895330 175119083 /nfs/dbraw/zinc/11/90/83/175119083.db2.gz KCKHHBLTFHKXSG-JSGCOSHPSA-N 1 1 278.396 2.652 10 0 CFAEMO CCN[C@H]1c2ccccc2C[C@H]1[N@H+](C)[C@@H](C)C1CC1 ZINC000043894933 175119373 /nfs/dbraw/zinc/11/93/73/175119373.db2.gz PYTZVJXMNWHTJO-VUCTXSBTSA-N 1 1 258.409 2.992 10 0 CFAEMO CCN[C@H]1c2ccccc2C[C@H]1[N@@H+](C)[C@@H](C)C1CC1 ZINC000043894933 175119374 /nfs/dbraw/zinc/11/93/74/175119374.db2.gz PYTZVJXMNWHTJO-VUCTXSBTSA-N 1 1 258.409 2.992 10 0 CFAEMO CN[C@@H](C[N@H+](C)CCC(C)C)c1ccc2c(c1)OCO2 ZINC000043914512 175124249 /nfs/dbraw/zinc/12/42/49/175124249.db2.gz FNWKYKDEAIUELN-AWEZNQCLSA-N 1 1 278.396 2.654 10 0 CFAEMO CN[C@@H](C[N@@H+](C)CCC(C)C)c1ccc2c(c1)OCO2 ZINC000043914512 175124251 /nfs/dbraw/zinc/12/42/51/175124251.db2.gz FNWKYKDEAIUELN-AWEZNQCLSA-N 1 1 278.396 2.654 10 0 CFAEMO CCC[NH2+][C@@H](C)c1ccc(OC)c(CN(C)CCOC)c1 ZINC000043916540 175125465 /nfs/dbraw/zinc/12/54/65/175125465.db2.gz JKMKHBCEMDMJLK-AWEZNQCLSA-N 1 1 294.439 2.834 10 0 CFAEMO CCC[N@@H+](CC1CC1)[C@H]1Cc2ccccc2[C@@H]1NC ZINC000043967362 175128525 /nfs/dbraw/zinc/12/85/25/175128525.db2.gz ZIQWDSVAXGNCIY-IRXDYDNUSA-N 1 1 258.409 2.994 10 0 CFAEMO CCCN(CC1CC1)[C@H]1Cc2ccccc2[C@@H]1[NH2+]C ZINC000043967362 175128526 /nfs/dbraw/zinc/12/85/26/175128526.db2.gz ZIQWDSVAXGNCIY-IRXDYDNUSA-N 1 1 258.409 2.994 10 0 CFAEMO CCC[NH2+][C@H]1CCCCCC[C@H]1N1CCN(C2CC2)CC1 ZINC000043967782 175128876 /nfs/dbraw/zinc/12/88/76/175128876.db2.gz MKVNGTAIWDGWGO-ZWKOTPCHSA-N 1 1 293.499 2.857 10 0 CFAEMO CC[C@H](C)N(CCOC)[C@@H]1C[C@@H](CC)CC[C@@H]1[NH2+]C ZINC000043973111 175132887 /nfs/dbraw/zinc/13/28/87/175132887.db2.gz CIJBMLYVTZGLEF-YHUYYLMFSA-N 1 1 270.461 2.900 10 0 CFAEMO CCCN1CC[NH+](C[C@H](O)c2c(C)cc(C)cc2C)CC1 ZINC000044114147 175141013 /nfs/dbraw/zinc/14/10/13/175141013.db2.gz WBIIWRSCHQURRV-KRWDZBQOSA-N 1 1 290.451 2.673 10 0 CFAEMO CC[C@H]([C@H](O)c1ccccc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000044117113 175142043 /nfs/dbraw/zinc/14/20/43/175142043.db2.gz XQVBTWZZCWLELH-OCVGTWLNSA-N 1 1 263.381 2.608 10 0 CFAEMO CCC[N@@H+](C[C@@H](O)c1ccc2c(c1)OCCO2)C(C)C ZINC000044127172 175144155 /nfs/dbraw/zinc/14/41/55/175144155.db2.gz UPDYMOQFIBKKKE-CQSZACIVSA-N 1 1 279.380 2.612 10 0 CFAEMO CCC[N@@H+](C[C@@H](O)c1ccccc1OCC)C1CC1 ZINC000044130948 175144947 /nfs/dbraw/zinc/14/49/47/175144947.db2.gz YBKBBDBOVVDJSD-OAHLLOKOSA-N 1 1 263.381 2.993 10 0 CFAEMO CCC[N@@H+](CC)C[C@H](O)c1ccc(OCC)cc1 ZINC000044130409 175145009 /nfs/dbraw/zinc/14/50/09/175145009.db2.gz RGNSYIWNLIBLBZ-HNNXBMFYSA-N 1 1 251.370 2.851 10 0 CFAEMO CCC[N@@H+](CC)C[C@@H](O)c1ccc(OCC)cc1 ZINC000044130412 175145080 /nfs/dbraw/zinc/14/50/80/175145080.db2.gz RGNSYIWNLIBLBZ-OAHLLOKOSA-N 1 1 251.370 2.851 10 0 CFAEMO CCC(CC)[N@@H+](C)C[C@H](O)c1ccc(OC)cc1 ZINC000044134426 175145514 /nfs/dbraw/zinc/14/55/14/175145514.db2.gz MLFWQXNNHVQMHX-HNNXBMFYSA-N 1 1 251.370 2.849 10 0 CFAEMO COc1ccccc1[C@@H](O)C[N@@H+](C)[C@@H](C)C(C)C ZINC000044159611 175146721 /nfs/dbraw/zinc/14/67/21/175146721.db2.gz MLAHJRCRPUKFKH-JSGCOSHPSA-N 1 1 251.370 2.705 10 0 CFAEMO CC(C)[C@@H]([C@H](O)c1ccccc1)[N@H+]1CCOC(C)(C)C1 ZINC000044159842 175146892 /nfs/dbraw/zinc/14/68/92/175146892.db2.gz BDOTUAAVUUYOML-JKSUJKDBSA-N 1 1 277.408 2.855 10 0 CFAEMO C[C@@H]([C@H](O)c1ccccc1)[N@@H+](C)CCc1ccncc1 ZINC000044161003 175147521 /nfs/dbraw/zinc/14/75/21/175147521.db2.gz WOAXOROIRLSBGR-YOEHRIQHSA-N 1 1 270.376 2.678 10 0 CFAEMO COC[C@H](C)[N@@H+](C)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1O ZINC000044166997 175148707 /nfs/dbraw/zinc/14/87/07/175148707.db2.gz OCODTNBHXNSVCQ-DGAVXFQQSA-N 1 1 257.418 2.529 10 0 CFAEMO C[C@H]1CCC[C@@H]([N@@H+](C)[C@@H]2COc3ccccc3[C@@H]2O)C1 ZINC000044168480 175148834 /nfs/dbraw/zinc/14/88/34/175148834.db2.gz JJLYVCSTHQQDQG-SHFYGJNESA-N 1 1 275.392 2.992 10 0 CFAEMO COCC[N@@H+]([C@H](C)C1CC1)[C@@H]1CCCCCC[C@@H]1O ZINC000044173432 175149365 /nfs/dbraw/zinc/14/93/65/175149365.db2.gz WSHWHJLHZSHZCY-BMFZPTHFSA-N 1 1 269.429 2.817 10 0 CFAEMO C[N@H+](Cc1ccccc1F)[C@H]1COc2ccccc2[C@@H]1O ZINC000044173676 175149507 /nfs/dbraw/zinc/14/95/07/175149507.db2.gz IRDIYJBYGDWCAV-RDJZCZTQSA-N 1 1 287.334 2.752 10 0 CFAEMO C[N@@H+](Cc1ccccc1F)[C@H]1COc2ccccc2[C@@H]1O ZINC000044173676 175149508 /nfs/dbraw/zinc/14/95/08/175149508.db2.gz IRDIYJBYGDWCAV-RDJZCZTQSA-N 1 1 287.334 2.752 10 0 CFAEMO COCC[N@@H+](C)C[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000044177449 175149822 /nfs/dbraw/zinc/14/98/22/175149822.db2.gz PEOGAPFFSCZIJY-HNNXBMFYSA-N 1 1 265.397 2.596 10 0 CFAEMO CC[C@@H]([C@H](O)c1ccccc1)[N@H+]1C[C@@H](C)OC[C@@H]1CC ZINC000044175774 175150078 /nfs/dbraw/zinc/15/00/78/175150078.db2.gz VILDAHGQKMHNIX-BSWAZPDLSA-N 1 1 277.408 2.998 10 0 CFAEMO CC(C)Oc1ccc([C@H](O)C[N@@H+]2CCOCC2(C)C)cc1 ZINC000044178279 175151183 /nfs/dbraw/zinc/15/11/83/175151183.db2.gz QBYFMSPBKQWRJY-MRXNPFEDSA-N 1 1 293.407 2.618 10 0 CFAEMO CC(C)Oc1ccc([C@H](O)C[N@H+]2CCOCC2(C)C)cc1 ZINC000044178279 175151185 /nfs/dbraw/zinc/15/11/85/175151185.db2.gz QBYFMSPBKQWRJY-MRXNPFEDSA-N 1 1 293.407 2.618 10 0 CFAEMO COc1ccc([C@@H](O)Cn2cc[nH+]c2C(C)C)c(OC)c1 ZINC000044185179 175151837 /nfs/dbraw/zinc/15/18/37/175151837.db2.gz QRBRUIDTHQWYMG-AWEZNQCLSA-N 1 1 290.363 2.757 10 0 CFAEMO CC(C)c1[nH+]ccn1[C@@H]1COc2ccccc2[C@H]1O ZINC000044184824 175151846 /nfs/dbraw/zinc/15/18/46/175151846.db2.gz IWYUAOBPSSIJJT-TZMCWYRMSA-N 1 1 258.321 2.674 10 0 CFAEMO CC(C)c1[nH+]ccn1[C@H]1COc2ccccc2[C@H]1O ZINC000044184828 175151956 /nfs/dbraw/zinc/15/19/56/175151956.db2.gz IWYUAOBPSSIJJT-GXTWGEPZSA-N 1 1 258.321 2.674 10 0 CFAEMO CCOc1ccc([C@H](O)Cn2cc[nH+]c2CC)cc1 ZINC000044189979 175152879 /nfs/dbraw/zinc/15/28/79/175152879.db2.gz JCAKKZDLOKFCMH-CQSZACIVSA-N 1 1 260.337 2.578 10 0 CFAEMO CC[N@H+]1CCC[C@@H](Nc2cccc(C(F)(F)F)n2)C1 ZINC000044271598 175158349 /nfs/dbraw/zinc/15/83/49/175158349.db2.gz LZIMBOVFIGDMDF-SNVBAGLBSA-N 1 1 273.302 2.997 10 0 CFAEMO C[C@@H](CNC[C@H](O)c1cc(Cl)ccc1Cl)[NH+](C)C ZINC000044347296 175165185 /nfs/dbraw/zinc/16/51/85/175165185.db2.gz DCVSWMYJVGHVKU-ZANVPECISA-N 1 1 291.222 2.567 10 0 CFAEMO C[C@@H](CNC[C@@H](O)c1cc(Cl)ccc1Cl)[NH+](C)C ZINC000044347303 175165217 /nfs/dbraw/zinc/16/52/17/175165217.db2.gz DCVSWMYJVGHVKU-TVQRCGJNSA-N 1 1 291.222 2.567 10 0 CFAEMO COc1ccc(OC)c(-c2nc([C@H]([NH3+])C(C)(C)C)no2)c1 ZINC000044482452 175179934 /nfs/dbraw/zinc/17/99/34/175179934.db2.gz OVOGJXQVJVSQSV-LBPRGKRZSA-N 1 1 291.351 2.800 10 0 CFAEMO CCn1cc([C@H](C)[NH2+][C@@H](CN(C)C)c2ccccc2)cn1 ZINC000044495159 175182331 /nfs/dbraw/zinc/18/23/31/175182331.db2.gz MVMAHJIFQLOGKT-YOEHRIQHSA-N 1 1 286.423 2.857 10 0 CFAEMO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCCN(C)C2)c(C)n1 ZINC000044532874 175196366 /nfs/dbraw/zinc/19/63/66/175196366.db2.gz OMGFDVRIPRUVOR-ZBFHGGJFSA-N 1 1 275.440 2.999 10 0 CFAEMO Cc1cc(C)c([C@@H](C)NC[C@@H]2CCC[N@H+](C)C2)c(C)n1 ZINC000044532874 175196368 /nfs/dbraw/zinc/19/63/68/175196368.db2.gz OMGFDVRIPRUVOR-ZBFHGGJFSA-N 1 1 275.440 2.999 10 0 CFAEMO Cc1cc(C)c([C@@H](C)NC[C@@H]2CCC[N@@H+](C)C2)c(C)n1 ZINC000044532874 175196369 /nfs/dbraw/zinc/19/63/69/175196369.db2.gz OMGFDVRIPRUVOR-ZBFHGGJFSA-N 1 1 275.440 2.999 10 0 CFAEMO C[N@H+]1CCC[C@H](CNc2ccc3ncccc3c2N)C1 ZINC000044535731 175198673 /nfs/dbraw/zinc/19/86/73/175198673.db2.gz DHPPXDDYNBWACB-GFCCVEGCSA-N 1 1 270.380 2.571 10 0 CFAEMO CCn1c2ccccc2nc1CNC[C@@H]1CCCC[N@@H+]1C ZINC000044560636 175204215 /nfs/dbraw/zinc/20/42/15/175204215.db2.gz LOPZJHLEHXQUCY-AWEZNQCLSA-N 1 1 286.423 2.630 10 0 CFAEMO CCn1c2ccccc2nc1CNC[C@@H]1CCCC[N@H+]1C ZINC000044560636 175204216 /nfs/dbraw/zinc/20/42/16/175204216.db2.gz LOPZJHLEHXQUCY-AWEZNQCLSA-N 1 1 286.423 2.630 10 0 CFAEMO COc1ccc([C@H](C)NC[C@H]2CCCC[N@@H+]2C)c(F)c1 ZINC000044561169 175204795 /nfs/dbraw/zinc/20/47/95/175204795.db2.gz ATKKILDBXHZAQR-QWHCGFSZSA-N 1 1 280.387 2.969 10 0 CFAEMO COc1ccc([C@H](C)NC[C@H]2CCCC[N@H+]2C)c(F)c1 ZINC000044561169 175204797 /nfs/dbraw/zinc/20/47/97/175204797.db2.gz ATKKILDBXHZAQR-QWHCGFSZSA-N 1 1 280.387 2.969 10 0 CFAEMO COc1ccccc1[C@@H](C)NC[C@@H]1CCCC[N@@H+]1C ZINC000044561722 175205059 /nfs/dbraw/zinc/20/50/59/175205059.db2.gz PYQKEZRDFUPXDZ-KGLIPLIRSA-N 1 1 262.397 2.830 10 0 CFAEMO COc1ccccc1[C@@H](C)NC[C@@H]1CCCC[N@H+]1C ZINC000044561722 175205060 /nfs/dbraw/zinc/20/50/60/175205060.db2.gz PYQKEZRDFUPXDZ-KGLIPLIRSA-N 1 1 262.397 2.830 10 0 CFAEMO C[N@H+]1CCCC[C@@H]1CNc1ncnc2ccsc21 ZINC000044563161 175206804 /nfs/dbraw/zinc/20/68/04/175206804.db2.gz IGDQNKDTUQWJRA-SNVBAGLBSA-N 1 1 262.382 2.588 10 0 CFAEMO CC(C)C[C@@H]1CSC(NC[C@H]2CCCCN2C)=[NH+]1 ZINC000044563827 175207434 /nfs/dbraw/zinc/20/74/34/175207434.db2.gz FBTFJIXHLHOKDE-CHWSQXEVSA-N 1 1 269.458 2.578 10 0 CFAEMO Cc1[nH+]ccn1CCOc1ccc2c(c1)CCC[C@H]2O ZINC000044746083 175242165 /nfs/dbraw/zinc/24/21/65/175242165.db2.gz CDRUKGKXQOBJIQ-MRXNPFEDSA-N 1 1 272.348 2.640 10 0 CFAEMO CN(C)CC(C)(C)C[NH2+][C@H]1CCCc2cc(O)ccc21 ZINC000044746669 175242460 /nfs/dbraw/zinc/24/24/60/175242460.db2.gz CKXPWCCBFXQYMC-INIZCTEOSA-N 1 1 276.424 2.947 10 0 CFAEMO C[NH+](C)CC(C)(C)CN[C@H]1CCCc2cc(O)ccc21 ZINC000044746669 175242461 /nfs/dbraw/zinc/24/24/61/175242461.db2.gz CKXPWCCBFXQYMC-INIZCTEOSA-N 1 1 276.424 2.947 10 0 CFAEMO CN(C)CC(C)(C)C[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000044746668 175242721 /nfs/dbraw/zinc/24/27/21/175242721.db2.gz CKXPWCCBFXQYMC-MRXNPFEDSA-N 1 1 276.424 2.947 10 0 CFAEMO C[NH+](C)CC(C)(C)CN[C@@H]1CCCc2cc(O)ccc21 ZINC000044746668 175242722 /nfs/dbraw/zinc/24/27/22/175242722.db2.gz CKXPWCCBFXQYMC-MRXNPFEDSA-N 1 1 276.424 2.947 10 0 CFAEMO CNC(=O)CC[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000044988194 175285075 /nfs/dbraw/zinc/28/50/75/175285075.db2.gz NKLRMHGLSDECDG-ZETCQYMHSA-N 1 1 293.169 2.919 10 0 CFAEMO O[C@H](C[N@@H+](Cc1ccco1)C1CC1)c1ccccc1 ZINC000045004974 175287895 /nfs/dbraw/zinc/28/78/95/175287895.db2.gz GIMWXUFYFLRNAS-MRXNPFEDSA-N 1 1 257.333 2.978 10 0 CFAEMO Cc1cc(CNc2c(C(N)=S)c[nH+]c3ccccc32)on1 ZINC000045009936 175289385 /nfs/dbraw/zinc/28/93/85/175289385.db2.gz NNLMKBVADXKPIY-UHFFFAOYSA-N 1 1 298.371 2.778 10 0 CFAEMO C[N@@H+](CC(N)=S)Cc1ccc(Cl)cc1Cl ZINC000045062870 175299179 /nfs/dbraw/zinc/29/91/79/175299179.db2.gz LEUJFJVXOPPLNW-UHFFFAOYSA-N 1 1 263.193 2.711 10 0 CFAEMO C[N@@H+](CCC(=O)Nc1cccc(N)c1)CC(C)(C)C ZINC000045064683 175299726 /nfs/dbraw/zinc/29/97/26/175299726.db2.gz ATTGKOSLBIEPGT-UHFFFAOYSA-N 1 1 263.385 2.575 10 0 CFAEMO CN[C@@H](C[N@H+](C)CC(C)(C)C)c1ccc(OC)cc1OC ZINC000045072341 175301745 /nfs/dbraw/zinc/30/17/45/175301745.db2.gz NJJJKMGPSZKVTC-HNNXBMFYSA-N 1 1 294.439 2.942 10 0 CFAEMO CN[C@@H](C[N@@H+](C)CC(C)(C)C)c1ccc(OC)cc1OC ZINC000045072341 175301747 /nfs/dbraw/zinc/30/17/47/175301747.db2.gz NJJJKMGPSZKVTC-HNNXBMFYSA-N 1 1 294.439 2.942 10 0 CFAEMO C[N@@H+](Cc1ccc(C(N)=S)cc1)CC(C)(C)C ZINC000045073801 175302545 /nfs/dbraw/zinc/30/25/45/175302545.db2.gz JUAHLTRBYBPWNE-UHFFFAOYSA-N 1 1 250.411 2.799 10 0 CFAEMO CC(C)[N@H+]1CC[C@H](CNc2ccc(N)c3ncccc23)C1 ZINC000045118677 175311392 /nfs/dbraw/zinc/31/13/92/175311392.db2.gz DTSMIIMKSXNOBO-CYBMUJFWSA-N 1 1 284.407 2.959 10 0 CFAEMO CC(C)[N@H+]1CC[C@@H](CNc2ccc(N)cc2F)C1 ZINC000045118600 175311487 /nfs/dbraw/zinc/31/14/87/175311487.db2.gz YGBUFEMZQFXKBI-NSHDSACASA-N 1 1 251.349 2.550 10 0 CFAEMO C[C@H](C(N)=S)[N@@H+](C)Cc1ccc(Br)s1 ZINC000045147107 175317019 /nfs/dbraw/zinc/31/70/19/175317019.db2.gz NQSGMQMDTHWMTK-ZCFIWIBFSA-N 1 1 293.255 2.617 10 0 CFAEMO C[C@@H](C(N)=S)[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000045147168 175317148 /nfs/dbraw/zinc/31/71/48/175317148.db2.gz VUZQATDIUFVFJH-QMMMGPOBSA-N 1 1 292.326 2.692 10 0 CFAEMO CCN(CC)CC[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000045167444 175319286 /nfs/dbraw/zinc/31/92/86/175319286.db2.gz JSRFYXKXNMBTHK-LBPRGKRZSA-N 1 1 266.433 2.512 10 0 CFAEMO Cc1nn(C)c(C)c1[C@@H](C)N[C@@H](C)C[NH+]1CCCCC1 ZINC000045171212 175321263 /nfs/dbraw/zinc/32/12/63/175321263.db2.gz YPWIPUUPLHCZLO-QWHCGFSZSA-N 1 1 278.444 2.562 10 0 CFAEMO Cc1csc(C[NH2+][C@@H](C)c2c(C)nn(C)c2C)n1 ZINC000045172021 175321976 /nfs/dbraw/zinc/32/19/76/175321976.db2.gz OGGAJCSJMSSCHE-VIFPVBQESA-N 1 1 264.398 2.653 10 0 CFAEMO CCCN[C@@](C)(CC[N@@H+](CC)C1CCCCC1)C(=O)OC ZINC000045224156 175331965 /nfs/dbraw/zinc/33/19/65/175331965.db2.gz NJUMBUIXSLOBIA-KRWDZBQOSA-N 1 1 298.471 2.962 10 0 CFAEMO CC[N@@H+](CC[C@](C)(NC1CC1)C(=O)OC)C1CCCCC1 ZINC000045224172 175332406 /nfs/dbraw/zinc/33/24/06/175332406.db2.gz LKNVCUOIMTXQNQ-KRWDZBQOSA-N 1 1 296.455 2.715 10 0 CFAEMO CCOC(=O)[C@](C)(CC[N@@H+](CC)CC(C)C)NC(C)C ZINC000045264234 175337390 /nfs/dbraw/zinc/33/73/90/175337390.db2.gz HEWVGPZIZXSPTB-INIZCTEOSA-N 1 1 286.460 2.674 10 0 CFAEMO CCCN[C@@](C)(CC[N@@H+](CC)CC(C)C)C(=O)OCC ZINC000045264220 175337437 /nfs/dbraw/zinc/33/74/37/175337437.db2.gz CTCXNQKXTHEKLA-INIZCTEOSA-N 1 1 286.460 2.676 10 0 CFAEMO CCCCC[N@@H+](C)C[C@](N)(C(=O)OCC)c1ccccc1 ZINC000045268066 175339754 /nfs/dbraw/zinc/33/97/54/175339754.db2.gz YXEDNLAHSVCGND-QGZVFWFLSA-N 1 1 292.423 2.526 10 0 CFAEMO CCC[N@@H+](CC[C@@](C)(NC(C)C)C(=O)OCC)C1CC1 ZINC000045268024 175340078 /nfs/dbraw/zinc/34/00/78/175340078.db2.gz COTDWZQGYBCUAX-MRXNPFEDSA-N 1 1 284.444 2.571 10 0 CFAEMO CCOC(=O)[C@@](C)(C[N@@H+](CC)C1CCCC1)NC(C)C ZINC000045269242 175340512 /nfs/dbraw/zinc/34/05/12/175340512.db2.gz DVQCSOLOIYMCRP-MRXNPFEDSA-N 1 1 284.444 2.571 10 0 CFAEMO CCN[C@@](C)(CC[N@@H+](C)C1CCCCCC1)C(=O)OC ZINC000045271992 175342137 /nfs/dbraw/zinc/34/21/37/175342137.db2.gz HWMBZTVPVQCUKK-INIZCTEOSA-N 1 1 284.444 2.572 10 0 CFAEMO CCOC(=O)[C@@](C)(C[N@@H+](CC(C)C)C(C)C)NC(C)C ZINC000045280711 175350654 /nfs/dbraw/zinc/35/06/54/175350654.db2.gz PHTIHEOCYLNYMQ-MRXNPFEDSA-N 1 1 286.460 2.673 10 0 CFAEMO CCN[C@@](C)(CC[N@@H+](C)C1CCC(CC)CC1)C(=O)OC ZINC000045281152 175351628 /nfs/dbraw/zinc/35/16/28/175351628.db2.gz ASVPYRKFNTWCAV-DQPZFDDXSA-N 1 1 298.471 2.818 10 0 CFAEMO CCCC[N@@H+](CC[C@@](C)([NH2+]CC)C(=O)[O-])[C@@H](C)CC ZINC000045282600 175353027 /nfs/dbraw/zinc/35/30/27/175353027.db2.gz UUGFSSRIVRULKZ-DZGCQCFKSA-N 1 1 272.433 2.730 10 0 CFAEMO CCCC[N@@H+](CC[C@](C)(NC(C)C)C(N)=O)[C@@H](C)CC ZINC000045282670 175353721 /nfs/dbraw/zinc/35/37/21/175353721.db2.gz CJDKHDQCTMFNAX-HOCLYGCPSA-N 1 1 285.476 2.519 10 0 CFAEMO CCOC(=O)[C@](C)(CCCC[N@H+]1CCC[C@@H]1C)NC(C)C ZINC000045367827 175362893 /nfs/dbraw/zinc/36/28/93/175362893.db2.gz LXNKCZMEISDMGG-RDJZCZTQSA-N 1 1 298.471 2.961 10 0 CFAEMO CCN[C@@](C)(CCCC[N@H+]1CCC[C@@H]1CC)C(=O)OC ZINC000045367397 175363011 /nfs/dbraw/zinc/36/30/11/175363011.db2.gz XZMKONDWKSRLMM-HOCLYGCPSA-N 1 1 284.444 2.572 10 0 CFAEMO CCCN[C@@](C)(CCCC[N@H+]1CCC[C@@H]1C)C(=O)OCC ZINC000045367808 175363194 /nfs/dbraw/zinc/36/31/94/175363194.db2.gz SJHTXDCXZSKVLM-RDJZCZTQSA-N 1 1 298.471 2.962 10 0 CFAEMO CCCC[N@@H+](C)CCCC[C@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045368180 175363268 /nfs/dbraw/zinc/36/32/68/175363268.db2.gz GKQMPSVWZLJWSQ-HNNXBMFYSA-N 1 1 272.433 2.730 10 0 CFAEMO CCC[NH2+][C@](C)(CCCC[N@H+]1CCC[C@@H]1CC)C(=O)[O-] ZINC000045367347 175363371 /nfs/dbraw/zinc/36/33/71/175363371.db2.gz XXCLAZQNKFTECN-GOEBONIOSA-N 1 1 284.444 2.874 10 0 CFAEMO CCCN[C@@](C)(CCCC[N@H+]1CCC[C@@H]1C)C(=O)OC ZINC000045367802 175363399 /nfs/dbraw/zinc/36/33/99/175363399.db2.gz QOLXEUSOWWXEGI-HOCLYGCPSA-N 1 1 284.444 2.572 10 0 CFAEMO CCOC(=O)[C@H]([NH3+])CN(CC)c1cccc2ccccc21 ZINC000045369574 175363990 /nfs/dbraw/zinc/36/39/90/175363990.db2.gz XGYRCJDXHDOHKX-OAHLLOKOSA-N 1 1 286.375 2.557 10 0 CFAEMO CCOC(=O)[C@@](C)(N)CCC[N@H+](CC)C1CCCCC1 ZINC000045372394 175365042 /nfs/dbraw/zinc/36/50/42/175365042.db2.gz PXWJQYKTGKDLRZ-INIZCTEOSA-N 1 1 284.444 2.702 10 0 CFAEMO CCOC(=O)[C@@](C)(N)CCC[N@@H+](CC)C1CCCCC1 ZINC000045372394 175365043 /nfs/dbraw/zinc/36/50/43/175365043.db2.gz PXWJQYKTGKDLRZ-INIZCTEOSA-N 1 1 284.444 2.702 10 0 CFAEMO CCOC(=O)[C@](C)(CCCC[N@H+]1CCCC[C@@H]1C)NC ZINC000045376073 175366633 /nfs/dbraw/zinc/36/66/33/175366633.db2.gz CHRJACGALMLPKM-HOCLYGCPSA-N 1 1 284.444 2.572 10 0 CFAEMO CCCN[C@@](C)(CCC[N@H+]1CCCC[C@@H]1C)C(=O)OCC ZINC000045376158 175366668 /nfs/dbraw/zinc/36/66/68/175366668.db2.gz AKAQOIJWBZFZEL-RDJZCZTQSA-N 1 1 298.471 2.962 10 0 CFAEMO CCCN[C@](C)(CCC[N@H+]1CCCC[C@@H]1C)C(=O)OC ZINC000045376157 175366679 /nfs/dbraw/zinc/36/66/79/175366679.db2.gz DPRPOFQNCUTZPM-GOEBONIOSA-N 1 1 284.444 2.572 10 0 CFAEMO CCN[C@](C)(CCCC[N@@H+](CC)CC(C)C)C(=O)OC ZINC000045381700 175369831 /nfs/dbraw/zinc/36/98/31/175369831.db2.gz ZONMHGKSQXMRCT-MRXNPFEDSA-N 1 1 286.460 2.676 10 0 CFAEMO CCCN[C@](C)(CCCC[N@@H+](CC)C(C)C)C(=O)OC ZINC000045383683 175371166 /nfs/dbraw/zinc/37/11/66/175371166.db2.gz SZHIVPKEJNDQOF-MRXNPFEDSA-N 1 1 286.460 2.818 10 0 CFAEMO CCC[NH2+][C@](C)(CCC[N@@H+](CC)[C@@H](C)CC)C(=O)[O-] ZINC000045385405 175371898 /nfs/dbraw/zinc/37/18/98/175371898.db2.gz PIHQBTAZUCLERD-DZGCQCFKSA-N 1 1 272.433 2.730 10 0 CFAEMO CCC[N@@H+](CCCC[C@@](C)(NC)C(=O)OCC)C(C)C ZINC000045385841 175371922 /nfs/dbraw/zinc/37/19/22/175371922.db2.gz CULYBSGZDKMSFW-MRXNPFEDSA-N 1 1 286.460 2.818 10 0 CFAEMO CCC[N@@H+](CC)CCCC[C@](C)(NC1CC1)C(=O)OC ZINC000045386969 175373189 /nfs/dbraw/zinc/37/31/89/175373189.db2.gz NUAWNJWMICXEHV-INIZCTEOSA-N 1 1 284.444 2.572 10 0 CFAEMO CCCCC[N@@H+](C)CCC[C@](C)(NCC)C(=O)OCC ZINC000045388145 175373852 /nfs/dbraw/zinc/37/38/52/175373852.db2.gz GXRFFCYAJKTYLF-INIZCTEOSA-N 1 1 286.460 2.820 10 0 CFAEMO CCC[NH2+][C@](C)(CCC[N@@H+](C)C[C@@H](C)CC)C(=O)[O-] ZINC000045388592 175373868 /nfs/dbraw/zinc/37/38/68/175373868.db2.gz JPVOLPWXIOJCAG-DZGCQCFKSA-N 1 1 272.433 2.587 10 0 CFAEMO CCCCC[N@@H+](C)CCCC[C@](C)([NH2+]CC)C(=O)[O-] ZINC000045387894 175373911 /nfs/dbraw/zinc/37/39/11/175373911.db2.gz XGBHWYDDOZNZNT-HNNXBMFYSA-N 1 1 272.433 2.732 10 0 CFAEMO CCCN[C@@](C)(CCC[N@@H+](CCC)C1CC1)C(=O)OCC ZINC000045387625 175373920 /nfs/dbraw/zinc/37/39/20/175373920.db2.gz GOEOCXJWQPAJDM-KRWDZBQOSA-N 1 1 298.471 2.962 10 0 CFAEMO CCCCC[N@@H+](C)CCC[C@@](C)(NC(C)C)C(=O)OC ZINC000045388185 175374015 /nfs/dbraw/zinc/37/40/15/175374015.db2.gz AGBOWSFHPLPTGX-MRXNPFEDSA-N 1 1 286.460 2.818 10 0 CFAEMO CCCN[C@@](C)(CCC[N@@H+](CC)C1CCCC1)C(=O)OC ZINC000045390638 175374371 /nfs/dbraw/zinc/37/43/71/175374371.db2.gz JBHDJQMSTAICCH-KRWDZBQOSA-N 1 1 298.471 2.962 10 0 CFAEMO CCN[C@](C)(CCCC[N@@H+](C)C(CC)CC)C(=O)OC ZINC000045391441 175374607 /nfs/dbraw/zinc/37/46/07/175374607.db2.gz WEEKYHAXDRIOTA-MRXNPFEDSA-N 1 1 286.460 2.818 10 0 CFAEMO CCN[C@](C)(CCC[N@@H+](CC)C1CCCC1)C(=O)OC ZINC000045390617 175374933 /nfs/dbraw/zinc/37/49/33/175374933.db2.gz ZNQJASSGARBVHI-MRXNPFEDSA-N 1 1 284.444 2.572 10 0 CFAEMO CCOC(=O)[C@@](C)(N)CCCC[N@H+](C)C(CC)CC ZINC000045391397 175374981 /nfs/dbraw/zinc/37/49/81/175374981.db2.gz CBIFYPHISRIGQI-HNNXBMFYSA-N 1 1 272.433 2.558 10 0 CFAEMO CCOC(=O)[C@@](C)(N)CCCC[N@@H+](C)C(CC)CC ZINC000045391397 175374982 /nfs/dbraw/zinc/37/49/82/175374982.db2.gz CBIFYPHISRIGQI-HNNXBMFYSA-N 1 1 272.433 2.558 10 0 CFAEMO CCN[C@@](C)(CCCC[N@@H+](C)[C@@H](C)C(C)C)C(=O)OC ZINC000045391979 175375328 /nfs/dbraw/zinc/37/53/28/175375328.db2.gz YVAFWVNMBNCQON-HOCLYGCPSA-N 1 1 286.460 2.674 10 0 CFAEMO CN[C@@](C)(CCCC[N@@H+](C)C1CCCCCC1)C(=O)OC ZINC000045419139 175377264 /nfs/dbraw/zinc/37/72/64/175377264.db2.gz NUDISSBFWJVVCE-KRWDZBQOSA-N 1 1 298.471 2.962 10 0 CFAEMO CCOC(=O)[C@@](C)(N)CCC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000045419340 175377992 /nfs/dbraw/zinc/37/79/92/175377992.db2.gz IOULDICSLALUSW-UXLLHSPISA-N 1 1 296.455 2.559 10 0 CFAEMO CCOC(=O)[C@@](C)(N)CCC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000045419340 175377993 /nfs/dbraw/zinc/37/79/93/175377993.db2.gz IOULDICSLALUSW-UXLLHSPISA-N 1 1 296.455 2.559 10 0 CFAEMO C[N@H+](Cc1ccccc1Cl)C[C@@H](O)COC(C)(C)C ZINC000046344563 175395491 /nfs/dbraw/zinc/39/54/91/175395491.db2.gz HYYOLCCZGIFMBY-CYBMUJFWSA-N 1 1 285.815 2.948 10 0 CFAEMO C[N@H+](Cc1ccccc1Cl)C[C@H](O)COC(C)(C)C ZINC000046344565 175395668 /nfs/dbraw/zinc/39/56/68/175395668.db2.gz HYYOLCCZGIFMBY-ZDUSSCGKSA-N 1 1 285.815 2.948 10 0 CFAEMO CCOc1ccc([C@H](C)N2CC[C@H](C[NH2+]C)C2)cc1 ZINC000071142252 176039888 /nfs/dbraw/zinc/03/98/88/176039888.db2.gz KOOYYGUEZQDLIS-UONOGXRCSA-N 1 1 262.397 2.688 10 0 CFAEMO CC[C@H](C)C[N@@H+](C)Cc1ccc(F)cc1C(N)=S ZINC000071265761 176099252 /nfs/dbraw/zinc/09/92/52/176099252.db2.gz FRJVKVZOWSBIBE-JTQLQIEISA-N 1 1 268.401 2.938 10 0 CFAEMO CC[C@@H](C)[N@@H+](C)Cc1ccc(F)cc1C(N)=S ZINC000071265750 176099264 /nfs/dbraw/zinc/09/92/64/176099264.db2.gz RHQKCDBKICLEBT-SECBINFHSA-N 1 1 254.374 2.690 10 0 CFAEMO COc1cccc(C[NH2+]Cc2ncccc2C)c1OC ZINC000071339327 176129790 /nfs/dbraw/zinc/12/97/90/176129790.db2.gz ZTBAYGVSWJOZFF-UHFFFAOYSA-N 1 1 272.348 2.697 10 0 CFAEMO C[N@H+](CCc1ccncc1)CC[C@H]1NCCc2ccccc21 ZINC000076567862 177039585 /nfs/dbraw/zinc/03/95/85/177039585.db2.gz AFUGTYOGSFYNAH-LJQANCHMSA-N 1 1 295.430 2.833 10 0 CFAEMO CN(CCc1ccncc1)CC[C@H]1[NH2+]CCc2ccccc21 ZINC000076567862 177039586 /nfs/dbraw/zinc/03/95/86/177039586.db2.gz AFUGTYOGSFYNAH-LJQANCHMSA-N 1 1 295.430 2.833 10 0 CFAEMO Clc1sccc1CN1CC[N@H+]2CCC[C@H]2C1 ZINC000312756293 260197870 /nfs/dbraw/zinc/19/78/70/260197870.db2.gz 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CHHVCRAQFQQQKK-QWHCGFSZSA-N 1 1 279.453 2.764 10 0 CFAEMO CC[C@@H](C)N1CCN([C@H](c2cccs2)[C@@H](C)[NH3+])CC1 ZINC000055063952 522131258 /nfs/dbraw/zinc/13/12/58/522131258.db2.gz LDPHONRGMLYGMA-NFAWXSAZSA-N 1 1 281.469 2.553 10 0 CFAEMO COc1cc(C)c(C[N@H+]2CCCC[C@@H]2CCO)cc1OC ZINC000070139118 522190004 /nfs/dbraw/zinc/19/00/04/522190004.db2.gz WZCSDVMUJWLZLS-OAHLLOKOSA-N 1 1 293.407 2.749 10 0 CFAEMO COc1cc(C)c(C[N@H+]2CCCC[C@H]2CCO)cc1OC ZINC000070139119 522191557 /nfs/dbraw/zinc/19/15/57/522191557.db2.gz WZCSDVMUJWLZLS-HNNXBMFYSA-N 1 1 293.407 2.749 10 0 CFAEMO CCc1nc(C2([NH2+]CCCSC)CCCC2)no1 ZINC000173693341 522243824 /nfs/dbraw/zinc/24/38/24/522243824.db2.gz SRRMDHYQFAALLO-UHFFFAOYSA-N 1 1 269.414 2.744 10 0 CFAEMO CC[C@@H](C)[C@@H]([NH3+])c1nc(Cc2cc(F)cc(F)c2)no1 ZINC000049347931 522305525 /nfs/dbraw/zinc/30/55/25/522305525.db2.gz AMFAQGPJJLELFE-AMIZOPFISA-N 1 1 281.306 2.985 10 0 CFAEMO CC[C@H]([NH3+])c1nc(-c2nccc3ccccc32)no1 ZINC000069312041 522349177 /nfs/dbraw/zinc/34/91/77/522349177.db2.gz RPHDIFJASVVORB-NSHDSACASA-N 1 1 254.293 2.695 10 0 CFAEMO CCc1nnc(C[N@H+]2CCC[C@@H]2C2CCCC2)n1C ZINC000195101486 522731064 /nfs/dbraw/zinc/73/10/64/522731064.db2.gz HNRJGXXYBAXVAJ-CYBMUJFWSA-N 1 1 262.401 2.532 10 0 CFAEMO CCc1nnc(C[NH2+][C@@H](C)c2ccc(Cl)cc2)n1C ZINC000195024442 522741443 /nfs/dbraw/zinc/74/14/43/522741443.db2.gz PLKWEBRZQWTRQC-JTQLQIEISA-N 1 1 278.787 2.882 10 0 CFAEMO CN(Cc1cc(F)cc2cccnc21)[C@H]1CCC[NH2+]CC1 ZINC000231669216 523180077 /nfs/dbraw/zinc/18/00/77/523180077.db2.gz QXGOPGVBHZVTDD-INIZCTEOSA-N 1 1 287.382 2.948 10 0 CFAEMO C[N@@H+](Cc1ccc(Cl)cc1N)[C@H]1CCSC1 ZINC000050442909 523231725 /nfs/dbraw/zinc/23/17/25/523231725.db2.gz ZYWGKSXCJZHLEU-NSHDSACASA-N 1 1 256.802 2.860 10 0 CFAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(OC)c(F)c1 ZINC000246255596 523322683 /nfs/dbraw/zinc/32/26/83/523322683.db2.gz OUWOHKRKIFEPDC-GJZGRUSLSA-N 1 1 292.398 2.893 10 0 CFAEMO CC[C@@H]1C[N@H+](CCNc2cccc(Cl)c2)CCO1 ZINC000053382486 523442126 /nfs/dbraw/zinc/44/21/26/523442126.db2.gz XLPZUMYHOZTLIQ-CQSZACIVSA-N 1 1 268.788 2.863 10 0 CFAEMO CC[C@@H]1C[N@@H+](CCNc2cccc(Cl)c2)CCO1 ZINC000053382486 523442134 /nfs/dbraw/zinc/44/21/34/523442134.db2.gz XLPZUMYHOZTLIQ-CQSZACIVSA-N 1 1 268.788 2.863 10 0 CFAEMO COCC[N@@H+](C)CCCNC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000183250155 523585645 /nfs/dbraw/zinc/58/56/45/523585645.db2.gz SNQADYGRODCKQI-CABCVRRESA-N 1 1 298.471 2.533 10 0 CFAEMO CN(c1cc(Cl)ccc1C(N)=S)[C@@H]1CCC[N@@H+](C)C1 ZINC000062788546 523631992 /nfs/dbraw/zinc/63/19/92/523631992.db2.gz DUAPQSGOOHZNRI-LLVKDONJSA-N 1 1 297.855 2.505 10 0 CFAEMO C[N@H+]1CCCC[C@@H]1CNc1cccc(-n2cccn2)c1 ZINC000054242402 523795414 /nfs/dbraw/zinc/79/54/14/523795414.db2.gz MQWWHWOPHNVNKF-MRXNPFEDSA-N 1 1 270.380 2.769 10 0 CFAEMO C[N@@H+]1CCCC[C@H]1CNCc1cc(F)c(F)c(F)c1 ZINC000062708588 523800284 /nfs/dbraw/zinc/80/02/84/523800284.db2.gz YYEREDASJYETRI-NSHDSACASA-N 1 1 272.314 2.678 10 0 CFAEMO C[N@H+]1CCCC[C@H]1CNCc1cc(F)c(F)c(F)c1 ZINC000062708588 523800289 /nfs/dbraw/zinc/80/02/89/523800289.db2.gz YYEREDASJYETRI-NSHDSACASA-N 1 1 272.314 2.678 10 0 CFAEMO C[N@H+]1CCCC[C@H]1CNc1ccc2c(c1)OCCCO2 ZINC000054239634 523800791 /nfs/dbraw/zinc/80/07/91/523800791.db2.gz YJXLYTLJIRBHAH-AWEZNQCLSA-N 1 1 276.380 2.744 10 0 CFAEMO CC[C@H](C)C[N@H+](C)Cc1cc(CNC(C)C)no1 ZINC000052454094 523869304 /nfs/dbraw/zinc/86/93/04/523869304.db2.gz OZVKRMKNQWUQFA-LBPRGKRZSA-N 1 1 253.390 2.651 10 0 CFAEMO CC[C@H](C)C[N@@H+](C)Cc1cc(CNC(C)C)no1 ZINC000052454094 523869313 /nfs/dbraw/zinc/86/93/13/523869313.db2.gz OZVKRMKNQWUQFA-LBPRGKRZSA-N 1 1 253.390 2.651 10 0 CFAEMO CCc1ccc([C@@H]2CCCC[N@@H+]2CC(=O)NCC2CC2)o1 ZINC000172871988 524035581 /nfs/dbraw/zinc/03/55/81/524035581.db2.gz NJOFQPQGEQQGIA-HNNXBMFYSA-N 1 1 290.407 2.895 10 0 CFAEMO CCc1ccc([C@@H]2CCCC[N@H+]2CC(=O)NCC2CC2)o1 ZINC000172871988 524035584 /nfs/dbraw/zinc/03/55/84/524035584.db2.gz NJOFQPQGEQQGIA-HNNXBMFYSA-N 1 1 290.407 2.895 10 0 CFAEMO C[C@H](CC[NH+](C)C)Nc1ccc(N)c2cnccc12 ZINC000049555367 524170437 /nfs/dbraw/zinc/17/04/37/524170437.db2.gz SEKCNZNXKBXRCA-LLVKDONJSA-N 1 1 258.369 2.569 10 0 CFAEMO Cc1ccc(C)c(OCC[N@H+]2CCC[C@@H]2CCCO)c1 ZINC000052762091 524176868 /nfs/dbraw/zinc/17/68/68/524176868.db2.gz GLRAPGQYVFMPJK-MRXNPFEDSA-N 1 1 277.408 2.919 10 0 CFAEMO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2N)[C@@H]1C ZINC000050562934 524220491 /nfs/dbraw/zinc/22/04/91/524220491.db2.gz SFNLCNNMUNCNBO-CHWSQXEVSA-N 1 1 275.396 2.718 10 0 CFAEMO C[C@@H]1CCC[N@@H+](Cc2nc3cc(N)ccc3[nH]2)[C@@H]1C ZINC000050563220 524239169 /nfs/dbraw/zinc/23/91/69/524239169.db2.gz AITOYHJNDSBMKK-GHMZBOCLSA-N 1 1 258.369 2.766 10 0 CFAEMO C[C@@H]1CCC[N@H+](Cc2nc3ccc(N)cc3[nH]2)[C@@H]1C ZINC000050563220 524239184 /nfs/dbraw/zinc/23/91/84/524239184.db2.gz AITOYHJNDSBMKK-GHMZBOCLSA-N 1 1 258.369 2.766 10 0 CFAEMO C[C@@H]1CCC[N@@H+](Cc2nc3ccc(N)cc3[nH]2)[C@@H]1C ZINC000050563220 524239200 /nfs/dbraw/zinc/23/92/00/524239200.db2.gz AITOYHJNDSBMKK-GHMZBOCLSA-N 1 1 258.369 2.766 10 0 CFAEMO C[C@H](C[NH+]1CCCC1)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000049149505 524318685 /nfs/dbraw/zinc/31/86/85/524318685.db2.gz FVORUWNXUORJRC-ZIAGYGMSSA-N 1 1 290.407 2.593 10 0 CFAEMO C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@H](N3CCOCC3)C2)C1 ZINC000151728844 524372696 /nfs/dbraw/zinc/37/26/96/524372696.db2.gz PDYDIMAIWQAFJI-ZACQAIPSSA-N 1 1 280.456 2.609 10 0 CFAEMO Cc1ccc(C[N@H+](C)C[C@](C)(CO)c2ccccc2)o1 ZINC000051293153 524391812 /nfs/dbraw/zinc/39/18/12/524391812.db2.gz PVJRJOXUJHIJSU-QGZVFWFLSA-N 1 1 273.376 2.970 10 0 CFAEMO Cc1ccc(C[N@H+]2CC[C@@H](CCO)C2)c(Cl)c1 ZINC000235885486 524466473 /nfs/dbraw/zinc/46/64/73/524466473.db2.gz VPLZZQXTDZRWSG-LBPRGKRZSA-N 1 1 253.773 2.853 10 0 CFAEMO Cc1cc(C)cc([C@H](C)[NH2+]C[C@H](O)CN2CCCCC2)c1 ZINC000151245806 524470738 /nfs/dbraw/zinc/47/07/38/524470738.db2.gz QUMSCAYGORMREO-WMZOPIPTSA-N 1 1 290.451 2.801 10 0 CFAEMO C[C@@H](CC[NH2+]C1CC1)N(C)Cc1ccc(F)cc1 ZINC000052346250 524498683 /nfs/dbraw/zinc/49/86/83/524498683.db2.gz QFJPYSVNEYNBBR-LBPRGKRZSA-N 1 1 250.361 2.788 10 0 CFAEMO C[C@@H](C[NH+]1CCCC1)N[C@@H](C)c1ccc2c(c1)CCO2 ZINC000049151243 524592984 /nfs/dbraw/zinc/59/29/84/524592984.db2.gz OTPUIUOHTFMTIT-KBPBESRZSA-N 1 1 274.408 2.756 10 0 CFAEMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1CCOc1ccccc1 ZINC000083704397 524684649 /nfs/dbraw/zinc/68/46/49/524684649.db2.gz IMAOOSIMWNTDSW-JKSUJKDBSA-N 1 1 274.408 2.624 10 0 CFAEMO C[C@H]1CN2CCCC[C@@H]2C[N@@H+]1CCOc1ccccc1 ZINC000083704397 524684659 /nfs/dbraw/zinc/68/46/59/524684659.db2.gz IMAOOSIMWNTDSW-JKSUJKDBSA-N 1 1 274.408 2.624 10 0 CFAEMO C[C@H]1CN2CCCC[C@@H]2C[N@H+]1CCOc1ccccc1 ZINC000083704397 524684667 /nfs/dbraw/zinc/68/46/67/524684667.db2.gz IMAOOSIMWNTDSW-JKSUJKDBSA-N 1 1 274.408 2.624 10 0 CFAEMO Cc1cccc([C@H](C)[NH2+]C[C@H](O)CN2CCCCC2)c1C ZINC000151262744 524874643 /nfs/dbraw/zinc/87/46/43/524874643.db2.gz YEPZQZQNJPQSGF-IRXDYDNUSA-N 1 1 290.451 2.801 10 0 CFAEMO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)CN2CCCC2)c1 ZINC000049149500 524887649 /nfs/dbraw/zinc/88/76/49/524887649.db2.gz ADGGNTCEWAWKGD-UONOGXRCSA-N 1 1 292.423 2.839 10 0 CFAEMO C[C@H]1[C@@H](O)CCC[N@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000295094867 525093370 /nfs/dbraw/zinc/09/33/70/525093370.db2.gz AKEZXFBZMUCXIF-FZMZJTMJSA-N 1 1 296.798 2.514 10 0 CFAEMO Cc1ccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000246201341 525184149 /nfs/dbraw/zinc/18/41/49/525184149.db2.gz JBQPNMPWUSMYJP-HIFRSBDPSA-N 1 1 275.396 2.845 10 0 CFAEMO C[C@@H]1C[C@@H]1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000072094684 525326781 /nfs/dbraw/zinc/32/67/81/525326781.db2.gz IIUQZCOPXFGJKF-XPKDYRNWSA-N 1 1 290.382 2.562 10 0 CFAEMO COc1ccc([C@H](C)N[C@@H](C)C[NH+]2CCCC2)cc1OC ZINC000049149700 525328415 /nfs/dbraw/zinc/32/84/15/525328415.db2.gz KKFYWCJAVAHDGO-KBPBESRZSA-N 1 1 292.423 2.839 10 0 CFAEMO Cc1ccc(OCC(=O)Nc2ccccc2Cl)c(N)[nH+]1 ZINC000050440916 525395850 /nfs/dbraw/zinc/39/58/50/525395850.db2.gz INJCUGFVZDACDN-UHFFFAOYSA-N 1 1 291.738 2.643 10 0 CFAEMO C[C@H]([NH2+]Cc1c[nH]c2ccccc12)c1nnc2n1CCC2 ZINC000049591250 525428155 /nfs/dbraw/zinc/42/81/55/525428155.db2.gz TVPOTYLGONHMLK-NSHDSACASA-N 1 1 281.363 2.556 10 0 CFAEMO C[C@H]([NH2+]Cc1cc(C(N)=O)ccc1F)c1ccc(F)cc1 ZINC000049506442 525430209 /nfs/dbraw/zinc/43/02/09/525430209.db2.gz FCTCZANVMXBTFZ-JTQLQIEISA-N 1 1 290.313 2.915 10 0 CFAEMO CSCCC[N@@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000173607499 525446099 /nfs/dbraw/zinc/44/60/99/525446099.db2.gz FACMSFUXKAPLNG-ZDUSSCGKSA-N 1 1 294.468 2.895 10 0 CFAEMO CSCCC[N@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000173607499 525446106 /nfs/dbraw/zinc/44/61/06/525446106.db2.gz FACMSFUXKAPLNG-ZDUSSCGKSA-N 1 1 294.468 2.895 10 0 CFAEMO COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)CN1CCCC1)CCO2 ZINC000049151310 525579151 /nfs/dbraw/zinc/57/91/51/525579151.db2.gz LXXBTSAXJMWTAO-CJNGLKHVSA-N 1 1 290.407 2.593 10 0 CFAEMO COc1ccc2c(c1)[C@H](N[C@@H](C[NH+](C)C)C(C)C)CCO2 ZINC000049199042 525591674 /nfs/dbraw/zinc/59/16/74/525591674.db2.gz NXGQWCKGFHOVPJ-CVEARBPZSA-N 1 1 292.423 2.695 10 0 CFAEMO C[C@@H]1[C@@H](C)CCC[N@H+]1C[C@@H]1CNc2ccccc2O1 ZINC000050566806 525638858 /nfs/dbraw/zinc/63/88/58/525638858.db2.gz IBHBHCXNHNIMGJ-MJBXVCDLSA-N 1 1 260.381 2.980 10 0 CFAEMO Cc1ccc([C@@H](C)NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)o1 ZINC000246491585 525702465 /nfs/dbraw/zinc/70/24/65/525702465.db2.gz SKJKYSAWLBKYNB-KGLIPLIRSA-N 1 1 291.395 2.529 10 0 CFAEMO Cc1ccc(-c2nc(C[N@H+]3CC[C@@H](CCO)C3)co2)cc1 ZINC000227568869 525812277 /nfs/dbraw/zinc/81/22/77/525812277.db2.gz YGZYXKNWRSZURA-AWEZNQCLSA-N 1 1 286.375 2.854 10 0 CFAEMO C[C@H](O)C[C@H]1CCCCC[N@H+]1C[C@@H](O)CC1CCCC1 ZINC000232151369 525817690 /nfs/dbraw/zinc/81/76/90/525817690.db2.gz FDGRWTJESYGRIT-UAGQMJEPSA-N 1 1 283.456 2.943 10 0 CFAEMO Cc1ccc([C@H](C)NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)o1 ZINC000246491582 525896072 /nfs/dbraw/zinc/89/60/72/525896072.db2.gz SKJKYSAWLBKYNB-KBPBESRZSA-N 1 1 291.395 2.529 10 0 CFAEMO Cc1ccc([C@H]2CCCC[N@@H+]2CCN2CCO[C@H](C)C2)o1 ZINC000192745796 525996683 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299.193 2.901 10 0 CFAEMO CCC[NH+]1CCC([N@H+]2CCC[C@](CCC)(C(=O)[O-])C2)CC1 ZINC000086785284 179332489 /nfs/dbraw/zinc/33/24/89/179332489.db2.gz VHMUKPWYFBKIAF-KRWDZBQOSA-N 1 1 296.455 2.828 10 0 CFAEMO CC(=O)Nc1ccc(N[C@H]2CCC[N@H+](C)CC2)cc1 ZINC000086816996 179344859 /nfs/dbraw/zinc/34/48/59/179344859.db2.gz CKDJCHQRGQXEQG-ZDUSSCGKSA-N 1 1 261.369 2.541 10 0 CFAEMO COc1ccccc1[C@H](C)N[C@H]1CCC[N@@H+](C)CC1 ZINC000086817221 179344945 /nfs/dbraw/zinc/34/49/45/179344945.db2.gz KBLLZMCCJXEKGR-KBPBESRZSA-N 1 1 262.397 2.830 10 0 CFAEMO CCOC(=O)c1cccc(N[C@H]2CCC[N@@H+](C)CC2)c1 ZINC000086817486 179345266 /nfs/dbraw/zinc/34/52/66/179345266.db2.gz JHKMODUFKLVFEO-AWEZNQCLSA-N 1 1 276.380 2.760 10 0 CFAEMO C[C@H]([NH2+][C@@H]1CCCN(C)CC1)c1ccc(F)cc1 ZINC000086817211 179345333 /nfs/dbraw/zinc/34/53/33/179345333.db2.gz HPEJKIZAKWGUNP-SWLSCSKDSA-N 1 1 250.361 2.961 10 0 CFAEMO C[N@H+]1CCC[C@@H](Nc2ccc(-n3cccn3)cc2)CC1 ZINC000086817826 179345780 /nfs/dbraw/zinc/34/57/80/179345780.db2.gz BSUOQQKKAWRRJC-CQSZACIVSA-N 1 1 270.380 2.769 10 0 CFAEMO Cc1ccc(C(=O)N(C)C)cc1N[C@H]1CCC[N@@H+](C)CC1 ZINC000086817938 179345831 /nfs/dbraw/zinc/34/58/31/179345831.db2.gz AYXZMDBKFQDPBA-HNNXBMFYSA-N 1 1 289.423 2.593 10 0 CFAEMO COC(=O)c1cc(C)ccc1N[C@@H]1CCC[N@@H+](C)CC1 ZINC000086817647 179345954 /nfs/dbraw/zinc/34/59/54/179345954.db2.gz UPDHJMGKLCQQBI-CYBMUJFWSA-N 1 1 276.380 2.678 10 0 CFAEMO C[N@H+]1CCC[C@H](Nc2cccnc2N2CCCC2)CC1 ZINC000086817605 179346142 /nfs/dbraw/zinc/34/61/42/179346142.db2.gz FARMRCXTSWKNEW-AWEZNQCLSA-N 1 1 274.412 2.578 10 0 CFAEMO CC(C)c1csc([C@]2(N)CCC[N@@H+](C)CC2)n1 ZINC000086833617 179350569 /nfs/dbraw/zinc/35/05/69/179350569.db2.gz OGLNXOPNXVEQIF-ZDUSSCGKSA-N 1 1 253.415 2.536 10 0 CFAEMO CC(C)c1csc([C@]2([NH3+])CCCN(C)CC2)n1 ZINC000086833617 179350571 /nfs/dbraw/zinc/35/05/71/179350571.db2.gz OGLNXOPNXVEQIF-ZDUSSCGKSA-N 1 1 253.415 2.536 10 0 CFAEMO CCC[N@H+]1CCC[C@@H](NCc2ccc(C)o2)CC1 ZINC000086844253 179354836 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CCC[NH+]1CCC[C@H]([N@H+]2CCCCC[C@@H]2C(=O)[O-])CC1 ZINC000086869323 179363671 /nfs/dbraw/zinc/36/36/71/179363671.db2.gz HBHSJYPJJIINBU-LSDHHAIUSA-N 1 1 282.428 2.580 10 0 CFAEMO CC(C)Oc1cc(N2CC[C@@]3(CCC[N@H+]3C)C2)ccc1N ZINC000215977611 348162945 /nfs/dbraw/zinc/16/29/45/348162945.db2.gz OBCJKVYAJSWYKI-KRWDZBQOSA-N 1 1 289.423 2.731 10 0 CFAEMO C[C@@H](O)[C@H]1CN(c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000221864200 348172651 /nfs/dbraw/zinc/17/26/51/348172651.db2.gz XWSHYBNRUVZNBS-VQIMIIECSA-N 1 1 296.414 2.758 10 0 CFAEMO Fc1ccc([C@H]2CSCC[NH2+]2)c(Br)c1 ZINC000236272022 348232735 /nfs/dbraw/zinc/23/27/35/348232735.db2.gz ZCKOMJDPBWYMJC-SNVBAGLBSA-N 1 1 276.174 2.966 10 0 CFAEMO Cc1cc(F)c(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1F ZINC000124958964 539619545 /nfs/dbraw/zinc/61/95/45/539619545.db2.gz ONGSMSPOGIDILQ-LBPRGKRZSA-N 1 1 294.345 2.584 10 0 CFAEMO Cc1cc(F)c(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1F ZINC000124958964 539619547 /nfs/dbraw/zinc/61/95/47/539619547.db2.gz ONGSMSPOGIDILQ-LBPRGKRZSA-N 1 1 294.345 2.584 10 0 CFAEMO CC(C)[N@H+](C)C[C@H](C)NC(=O)OCc1ccccc1 ZINC000306331700 348386842 /nfs/dbraw/zinc/38/68/42/348386842.db2.gz CHTDOSPRPUOVTM-ZDUSSCGKSA-N 1 1 264.369 2.642 10 0 CFAEMO CN(CCC[NH2+]C[C@H](O)C(C)(C)C)Cc1ccccc1 ZINC000309866603 348407931 /nfs/dbraw/zinc/40/79/31/348407931.db2.gz MVXJMRCFCLRHNK-INIZCTEOSA-N 1 1 278.440 2.505 10 0 CFAEMO [NH3+][C@@H](c1coc(Br)c1)c1ccns1 ZINC000306775749 348392702 /nfs/dbraw/zinc/39/27/02/348392702.db2.gz MGADXWBLFIZNPS-QMMMGPOBSA-N 1 1 259.128 2.547 10 0 CFAEMO C[NH2+][C@@H](c1ccc[nH]1)c1ccoc1Br ZINC000306825176 348393354 /nfs/dbraw/zinc/39/33/54/348393354.db2.gz WAKZSOYHXPAKDZ-SECBINFHSA-N 1 1 255.115 2.679 10 0 CFAEMO C[C@@H]1[C@H](Nc2nncs2)CC[N@H+]1Cc1ccccc1 ZINC000307633200 348401377 /nfs/dbraw/zinc/40/13/77/348401377.db2.gz NQYBVSXTVFQEFJ-DGCLKSJQSA-N 1 1 274.393 2.613 10 0 CFAEMO Cc1ccc([C@@H](O)C[N@H+](C)Cc2ccccc2N)cc1 ZINC000584596166 348683760 /nfs/dbraw/zinc/68/37/60/348683760.db2.gz VKPDEEUUJWFZNH-KRWDZBQOSA-N 1 1 270.376 2.743 10 0 CFAEMO Cc1c(O)ccc2c1CC[N@H+](Cc1ccccn1)C2 ZINC000584639887 348699861 /nfs/dbraw/zinc/69/98/61/348699861.db2.gz YVYKUBBSVOPTFR-UHFFFAOYSA-N 1 1 254.333 2.654 10 0 CFAEMO Cc1c(O)ccc2c1CC[N@@H+](Cc1ccccn1)C2 ZINC000584639887 348699865 /nfs/dbraw/zinc/69/98/65/348699865.db2.gz YVYKUBBSVOPTFR-UHFFFAOYSA-N 1 1 254.333 2.654 10 0 CFAEMO Cc1ncsc1C[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000088868840 179685914 /nfs/dbraw/zinc/68/59/14/179685914.db2.gz SJBUOBCPQGBDBK-AWEZNQCLSA-N 1 1 275.421 2.844 10 0 CFAEMO CCCC[N@@H+](C[C@H](O)CN(C)Cc1ccccc1)C1CC1 ZINC000590126585 348876468 /nfs/dbraw/zinc/87/64/68/348876468.db2.gz OUIKHKWLDQPVNH-GOSISDBHSA-N 1 1 290.451 2.744 10 0 CFAEMO CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1CC[C@@H]1CCCCO1 ZINC000300419279 539728546 /nfs/dbraw/zinc/72/85/46/539728546.db2.gz VAVZDVZUBGJYMW-IKGGRYGDSA-N 1 1 280.456 2.894 10 0 CFAEMO CC[C@@H]1CN2CCCC[C@H]2C[N@@H+]1CC[C@@H]1CCCCO1 ZINC000300419279 539728548 /nfs/dbraw/zinc/72/85/48/539728548.db2.gz VAVZDVZUBGJYMW-IKGGRYGDSA-N 1 1 280.456 2.894 10 0 CFAEMO CC[C@@H]1CN2CCCC[C@H]2C[N@H+]1CC[C@@H]1CCCCO1 ZINC000300419279 539728551 /nfs/dbraw/zinc/72/85/51/539728551.db2.gz VAVZDVZUBGJYMW-IKGGRYGDSA-N 1 1 280.456 2.894 10 0 CFAEMO OCCC[C@@H]1CCC[N@H+]1C[C@@H]1CCOc2ccccc21 ZINC000219531863 539733881 /nfs/dbraw/zinc/73/38/81/539733881.db2.gz FSABKHRCRJPQJR-GJZGRUSLSA-N 1 1 275.392 2.790 10 0 CFAEMO CCn1cccc1CNCCC[N@H+]1CCCC[C@@H]1C ZINC000091022396 180088574 /nfs/dbraw/zinc/08/85/74/180088574.db2.gz FYTPZNJRUVBRMV-HNNXBMFYSA-N 1 1 263.429 2.862 10 0 CFAEMO CCn1cccc1CN[C@H](C[NH+](C)C)c1ccccc1 ZINC000091022890 180089059 /nfs/dbraw/zinc/08/90/59/180089059.db2.gz TYQFKUJOAUXFBV-QGZVFWFLSA-N 1 1 271.408 2.901 10 0 CFAEMO CC(C)[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000080509183 539760995 /nfs/dbraw/zinc/76/09/95/539760995.db2.gz YJDAZIGUHLJJAW-CJNGLKHVSA-N 1 1 292.398 2.951 10 0 CFAEMO CC(C)[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000080509183 539760998 /nfs/dbraw/zinc/76/09/98/539760998.db2.gz YJDAZIGUHLJJAW-CJNGLKHVSA-N 1 1 292.398 2.951 10 0 CFAEMO COCc1ccc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)cc1 ZINC000091978932 180296846 /nfs/dbraw/zinc/29/68/46/180296846.db2.gz INDTYLRESRDTKU-IRXDYDNUSA-N 1 1 275.392 2.976 10 0 CFAEMO c1cc2c(c(C[N@@H+]3CCO[C@H]4CCCC[C@@H]43)c1)OCO2 ZINC000091978884 180296932 /nfs/dbraw/zinc/29/69/32/180296932.db2.gz YLPUHYRKVRFLFK-KBPBESRZSA-N 1 1 275.348 2.559 10 0 CFAEMO c1cc2c(c(C[N@H+]3CCO[C@H]4CCCC[C@@H]43)c1)OCO2 ZINC000091978884 180296933 /nfs/dbraw/zinc/29/69/33/180296933.db2.gz YLPUHYRKVRFLFK-KBPBESRZSA-N 1 1 275.348 2.559 10 0 CFAEMO c1cc2c(c(C[N@@H+]3CCO[C@@H]4CCCC[C@@H]43)c1)OCO2 ZINC000091978885 180296966 /nfs/dbraw/zinc/29/69/66/180296966.db2.gz YLPUHYRKVRFLFK-UONOGXRCSA-N 1 1 275.348 2.559 10 0 CFAEMO c1cc2c(c(C[N@H+]3CCO[C@@H]4CCCC[C@@H]43)c1)OCO2 ZINC000091978885 180296969 /nfs/dbraw/zinc/29/69/69/180296969.db2.gz YLPUHYRKVRFLFK-UONOGXRCSA-N 1 1 275.348 2.559 10 0 CFAEMO c1[nH]nc(-c2cccnc2)c1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000091979264 180297809 /nfs/dbraw/zinc/29/78/09/180297809.db2.gz SUAZPPMMJCMNFY-HOTGVXAUSA-N 1 1 298.390 2.615 10 0 CFAEMO c1[nH]nc(-c2cccnc2)c1C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000091979264 180297812 /nfs/dbraw/zinc/29/78/12/180297812.db2.gz SUAZPPMMJCMNFY-HOTGVXAUSA-N 1 1 298.390 2.615 10 0 CFAEMO Cc1ccc(C)c(C[N@H+]2CCCN(c3cccnn3)CC2)c1 ZINC000105797954 186071725 /nfs/dbraw/zinc/07/17/25/186071725.db2.gz PGGCRBKKNHMPHP-UHFFFAOYSA-N 1 1 296.418 2.806 10 0 CFAEMO Cc1ccc(N2CCC[N@@H+](CCc3ccccc3)CC2)nn1 ZINC000105801060 186073005 /nfs/dbraw/zinc/07/30/05/186073005.db2.gz VYFUSVKCVIZHRS-UHFFFAOYSA-N 1 1 296.418 2.540 10 0 CFAEMO Cc1cnn(CC[NH2+][C@H](C)c2nc(-c3ccccc3)no2)c1 ZINC000105919190 186089846 /nfs/dbraw/zinc/08/98/46/186089846.db2.gz XAEYBCGHCWELDN-CYBMUJFWSA-N 1 1 297.362 2.592 10 0 CFAEMO C[NH+](C)[C@H](Cc1ccccc1)C(=O)Nc1cccc(F)c1 ZINC000106424408 186116741 /nfs/dbraw/zinc/11/67/41/186116741.db2.gz SGAGIAZJPUAXNZ-MRXNPFEDSA-N 1 1 286.350 2.937 10 0 CFAEMO CCc1nccn1[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000105897434 186085663 /nfs/dbraw/zinc/08/56/63/186085663.db2.gz DXGAVDGBMHGDEP-OAHLLOKOSA-N 1 1 270.380 2.678 10 0 CFAEMO CC[N@H+]1CCC[C@H](Nc2cc(C)nc(C3CC3)n2)C1 ZINC000110102449 186284646 /nfs/dbraw/zinc/28/46/46/186284646.db2.gz IXZWORAQDFOTLS-ZDUSSCGKSA-N 1 1 260.385 2.559 10 0 CFAEMO CC[N@H+]1C[C@@H](C)[C@@H](Nc2ccc(Br)cn2)C1 ZINC000309665077 539805352 /nfs/dbraw/zinc/80/53/52/539805352.db2.gz SXORYTQFWHHJOK-KOLCDFICSA-N 1 1 284.201 2.596 10 0 CFAEMO CC(=O)Oc1ccc(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000123072421 187069890 /nfs/dbraw/zinc/06/98/90/187069890.db2.gz PBGOBYLVXVTZMB-KRWDZBQOSA-N 1 1 299.374 2.683 10 0 CFAEMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2C[C@@H]2C)cc1 ZINC000123363984 187087339 /nfs/dbraw/zinc/08/73/39/187087339.db2.gz YNZREXLGFZGYNT-MKBNYLNASA-N 1 1 298.390 2.949 10 0 CFAEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000123459832 187093097 /nfs/dbraw/zinc/09/30/97/187093097.db2.gz KLDGXNATAVZPSM-KRWDZBQOSA-N 1 1 298.434 2.993 10 0 CFAEMO CC(C)[N@H+]1CCO[C@H](c2cnnc3ccccc32)CC1 ZINC000616591865 352376913 /nfs/dbraw/zinc/37/69/13/352376913.db2.gz AGIGVDGVQDPMQU-INIZCTEOSA-N 1 1 271.364 2.802 10 0 CFAEMO CC(C)[N@H+]1CCCOC[C@H]1c1cccc2ccnnc21 ZINC000616596553 352378512 /nfs/dbraw/zinc/37/85/12/352378512.db2.gz ADGIZAMPELUBOH-HNNXBMFYSA-N 1 1 271.364 2.802 10 0 CFAEMO CC(=O)Nc1ccc([C@H]2COCCC[N@@H+]2C(C)C)cc1 ZINC000616598499 352378884 /nfs/dbraw/zinc/37/88/84/352378884.db2.gz CLTWMISHZVCMDA-MRXNPFEDSA-N 1 1 276.380 2.817 10 0 CFAEMO CC(=O)Nc1cccc([C@H]2C[N@@H+](C(C)C)CCCO2)c1 ZINC000616597959 352378895 /nfs/dbraw/zinc/37/88/95/352378895.db2.gz JZFJVHNGUWFUGM-MRXNPFEDSA-N 1 1 276.380 2.817 10 0 CFAEMO NCC[N@@H+]1CCC[C@H](c2nccc3ccccc32)CC1 ZINC000616600087 352379160 /nfs/dbraw/zinc/37/91/60/352379160.db2.gz ALLUSPYNOMIMJJ-HNNXBMFYSA-N 1 1 269.392 2.763 10 0 CFAEMO NCC[N@H+]1CCC[C@H](c2nccc3ccccc32)CC1 ZINC000616600087 352379161 /nfs/dbraw/zinc/37/91/61/352379161.db2.gz ALLUSPYNOMIMJJ-HNNXBMFYSA-N 1 1 269.392 2.763 10 0 CFAEMO OCC[N@H+]1CCC[C@H](c2cccc3cnccc32)CC1 ZINC000616600456 352379576 /nfs/dbraw/zinc/37/95/76/352379576.db2.gz JQFHHJHVFKKWQZ-AWEZNQCLSA-N 1 1 270.376 2.797 10 0 CFAEMO NCC[N@@H+]1CCC[C@H](c2cccc3cnccc32)CC1 ZINC000616602099 352380166 /nfs/dbraw/zinc/38/01/66/352380166.db2.gz WXHAWSSESAQRIJ-AWEZNQCLSA-N 1 1 269.392 2.763 10 0 CFAEMO NCC[N@H+]1CCC[C@H](c2cccc3cnccc32)CC1 ZINC000616602099 352380170 /nfs/dbraw/zinc/38/01/70/352380170.db2.gz WXHAWSSESAQRIJ-AWEZNQCLSA-N 1 1 269.392 2.763 10 0 CFAEMO CC(C)(C)[N@H+]1CCN[C@H](c2ccnc3ccccc32)C1 ZINC000616604147 352381287 /nfs/dbraw/zinc/38/12/87/352381287.db2.gz VGNJGRHWSVAOAE-INIZCTEOSA-N 1 1 269.392 2.980 10 0 CFAEMO CC(C)(C)N1CC[NH2+][C@H](c2ccnc3ccccc32)C1 ZINC000616604147 352381291 /nfs/dbraw/zinc/38/12/91/352381291.db2.gz VGNJGRHWSVAOAE-INIZCTEOSA-N 1 1 269.392 2.980 10 0 CFAEMO CC(C)[N@H+]1CCC[C@@H](S(=O)(=O)c2ccccc2)CC1 ZINC000616609587 352383265 /nfs/dbraw/zinc/38/32/65/352383265.db2.gz CQIGLYGEHTXOBS-OAHLLOKOSA-N 1 1 281.421 2.723 10 0 CFAEMO CC(C)(C)[NH+]1CCC(S(=O)(=O)c2ccccc2)CC1 ZINC000616619811 352387315 /nfs/dbraw/zinc/38/73/15/352387315.db2.gz YZGKDFIAPXXENC-UHFFFAOYSA-N 1 1 281.421 2.723 10 0 CFAEMO Nc1n[nH]cc1[C@H]1CCCCC[N@H+]1Cc1ccccc1 ZINC000616629343 352392023 /nfs/dbraw/zinc/39/20/23/352392023.db2.gz GZDHZBUDJWFOAG-OAHLLOKOSA-N 1 1 270.380 2.940 10 0 CFAEMO CC(C)[N@@H+]1CCNC[C@@H]1c1cccc2ncccc21 ZINC000616637321 352394947 /nfs/dbraw/zinc/39/49/47/352394947.db2.gz JWJNDABBWMSJAB-MRXNPFEDSA-N 1 1 255.365 2.590 10 0 CFAEMO CC(C)[N@H+]1CCNC[C@@H]1c1cccc2ncccc21 ZINC000616637321 352394951 /nfs/dbraw/zinc/39/49/51/352394951.db2.gz JWJNDABBWMSJAB-MRXNPFEDSA-N 1 1 255.365 2.590 10 0 CFAEMO CC(C)[N@@H+]1CCNC[C@@H]1c1cc2ccccc2cn1 ZINC000616637492 352395566 /nfs/dbraw/zinc/39/55/66/352395566.db2.gz NUXBTNPLTUMRJQ-MRXNPFEDSA-N 1 1 255.365 2.590 10 0 CFAEMO CC(C)[N@H+]1CCNC[C@@H]1c1cc2ccccc2cn1 ZINC000616637492 352395570 /nfs/dbraw/zinc/39/55/70/352395570.db2.gz NUXBTNPLTUMRJQ-MRXNPFEDSA-N 1 1 255.365 2.590 10 0 CFAEMO Nc1ccccc1[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000616644268 352396119 /nfs/dbraw/zinc/39/61/19/352396119.db2.gz MORDPDBGBDNEGI-QGZVFWFLSA-N 1 1 268.360 2.842 10 0 CFAEMO CC(C)(C)[N@H+]1CCCOC[C@@H]1c1ccc(CCO)cc1 ZINC000616645414 352396171 /nfs/dbraw/zinc/39/61/71/352396171.db2.gz KUCLICIPTKTNHD-MRXNPFEDSA-N 1 1 277.408 2.783 10 0 CFAEMO CNc1cccc([C@H]2c3ccccc3CC[N@@H+]2CCO)c1 ZINC000616679390 352409999 /nfs/dbraw/zinc/40/99/99/352409999.db2.gz VBDGTBFNCJSVEH-SFHVURJKSA-N 1 1 282.387 2.668 10 0 CFAEMO c1ncc([C@H]2CC[N@@H+](Cc3ccccc3)CCO2)o1 ZINC000616663576 352403427 /nfs/dbraw/zinc/40/34/27/352403427.db2.gz SPLGEGWOVVFKGD-CQSZACIVSA-N 1 1 258.321 2.638 10 0 CFAEMO COCc1ccc(C[N@H+]2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000093690993 539904480 /nfs/dbraw/zinc/90/44/80/539904480.db2.gz ZSOTUPDWOMQQFO-SFHVURJKSA-N 1 1 298.386 2.881 10 0 CFAEMO CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1scnc1C ZINC000094434641 539949624 /nfs/dbraw/zinc/94/96/24/539949624.db2.gz LPSQAKHKNZPEIC-ZIAGYGMSSA-N 1 1 279.453 2.900 10 0 CFAEMO CC[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1Cc1scnc1C ZINC000094434641 539949626 /nfs/dbraw/zinc/94/96/26/539949626.db2.gz LPSQAKHKNZPEIC-ZIAGYGMSSA-N 1 1 279.453 2.900 10 0 CFAEMO CC[C@@H]1CN2CCCC[C@@H]2C[N@H+]1Cc1scnc1C ZINC000094434641 539949629 /nfs/dbraw/zinc/94/96/29/539949629.db2.gz LPSQAKHKNZPEIC-ZIAGYGMSSA-N 1 1 279.453 2.900 10 0 CFAEMO Cc1cc(F)cc(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)c1 ZINC000152995866 188057537 /nfs/dbraw/zinc/05/75/37/188057537.db2.gz YKHJNKWXXRUFNS-HNNXBMFYSA-N 1 1 291.370 2.836 10 0 CFAEMO CCOc1cccc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000155442186 188206308 /nfs/dbraw/zinc/20/63/08/188206308.db2.gz ILSCGPCJPGIUSY-XJKSGUPXSA-N 1 1 290.407 2.544 10 0 CFAEMO CCOc1cccc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000155442274 188206866 /nfs/dbraw/zinc/20/68/66/188206866.db2.gz ILSCGPCJPGIUSY-BBRMVZONSA-N 1 1 290.407 2.544 10 0 CFAEMO C[C@@H]1OCC[N@H+](Cc2ccc3ccccc3n2)[C@H]1C ZINC000156309238 188254726 /nfs/dbraw/zinc/25/47/26/188254726.db2.gz NSWQIQHDEHRMBI-STQMWFEESA-N 1 1 256.349 2.844 10 0 CFAEMO C[C@@H]1OCC[N@@H+](Cc2ccc3ccccc3n2)[C@H]1C ZINC000156309238 188254727 /nfs/dbraw/zinc/25/47/27/188254727.db2.gz NSWQIQHDEHRMBI-STQMWFEESA-N 1 1 256.349 2.844 10 0 CFAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cncc(Cl)c1 ZINC000621268724 353312405 /nfs/dbraw/zinc/31/24/05/353312405.db2.gz WGBGOLOESBPUCL-GJZGRUSLSA-N 1 1 279.815 2.794 10 0 CFAEMO C[C@@H]1CC[N@@H+](Cc2ccc3ccccc3n2)C[C@@H]1CO ZINC000621366767 353339325 /nfs/dbraw/zinc/33/93/25/353339325.db2.gz QNVBBYVSCRXOQF-UKRRQHHQSA-N 1 1 270.376 2.685 10 0 CFAEMO C[C@@H]1CC[N@@H+](C[C@@H]2CCCCC2(F)F)C[C@@H]1CO ZINC000621373796 353343137 /nfs/dbraw/zinc/34/31/37/353343137.db2.gz OMXLQSQILLIUKG-UPJWGTAASA-N 1 1 261.356 2.762 10 0 CFAEMO CC[N@@H+]1CC[C@@H](NCc2ccc(Cl)c(OC)c2)C1 ZINC000623551009 353669909 /nfs/dbraw/zinc/66/99/09/353669909.db2.gz HQKQSPKJVJFQKG-GFCCVEGCSA-N 1 1 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CGTFUMMFLJYLMM-OLZOCXBDSA-N 1 1 252.427 2.611 10 0 CFAEMO CC[N@@H+]1CCC[C@@H]([C@@H](C)N[C@@H](C)c2ccncc2)C1 ZINC000037220146 173038287 /nfs/dbraw/zinc/03/82/87/173038287.db2.gz PNOGSYXPZQLUPS-SQWLQELKSA-N 1 1 261.413 2.853 10 0 CFAEMO CC[N@H+]1CCC[C@@H]([C@@H](C)N[C@@H](C)c2ccncc2)C1 ZINC000037220146 173038288 /nfs/dbraw/zinc/03/82/88/173038288.db2.gz PNOGSYXPZQLUPS-SQWLQELKSA-N 1 1 261.413 2.853 10 0 CFAEMO Nc1ccc2nc(C[NH+]3CCCCCCC3)[nH]c2c1 ZINC000037273006 173084238 /nfs/dbraw/zinc/08/42/38/173084238.db2.gz NNASDFYZYLCBGY-UHFFFAOYSA-N 1 1 258.369 2.911 10 0 CFAEMO C[N@@H+](Cc1cccc(F)c1)Cc1ccc(O)c(N)c1 ZINC000037273020 173084722 /nfs/dbraw/zinc/08/47/22/173084722.db2.gz WOPNXNSBRGQZLC-UHFFFAOYSA-N 1 1 260.312 2.746 10 0 CFAEMO Cc1ccc2nc([C@H]([NH3+])Cc3ccc(O)cc3)[nH]c2c1 ZINC000037288979 173093885 /nfs/dbraw/zinc/09/38/85/173093885.db2.gz ULTXNUQQFLEMEL-CYBMUJFWSA-N 1 1 267.332 2.819 10 0 CFAEMO C[C@@H](C1CC1)[N@H+](C)CC(=O)c1cc(F)ccc1F ZINC000037338921 173140301 /nfs/dbraw/zinc/14/03/01/173140301.db2.gz KMEHRDUMMBIBID-VIFPVBQESA-N 1 1 253.292 2.878 10 0 CFAEMO C[C@@H](C1CC1)[N@@H+](C)CC(=O)c1cc(F)ccc1F ZINC000037338921 173140302 /nfs/dbraw/zinc/14/03/02/173140302.db2.gz KMEHRDUMMBIBID-VIFPVBQESA-N 1 1 253.292 2.878 10 0 CFAEMO CC(C)[C@@H](C)[N@@H+](C)CC(=O)c1ccc2c(c1)OCO2 ZINC000037338963 173140427 /nfs/dbraw/zinc/14/04/27/173140427.db2.gz ASDDWVWMZHDCQP-LLVKDONJSA-N 1 1 263.337 2.574 10 0 CFAEMO CC[C@@H](C(=O)c1ccccc1)[N@@H+](C)C1CCOCC1 ZINC000037339960 173141403 /nfs/dbraw/zinc/14/14/03/173141403.db2.gz XERZXGSTEVOBLK-HNNXBMFYSA-N 1 1 261.365 2.759 10 0 CFAEMO [NH3+][C@H](Cc1ccccc1)c1nc2ccc(F)cc2[nH]1 ZINC000037439122 173209308 /nfs/dbraw/zinc/20/93/08/173209308.db2.gz DFYQWNVTLOOSIO-GFCCVEGCSA-N 1 1 255.296 2.945 10 0 CFAEMO CCC(C)(C)C1CCC([NH2+]CCN2CCN(C)CC2)CC1 ZINC000037496832 173235742 /nfs/dbraw/zinc/23/57/42/173235742.db2.gz BJRMXEFSZOMEFR-UHFFFAOYSA-N 1 1 295.515 2.818 10 0 CFAEMO CN(CC(F)(F)F)c1ccc(N)c2c[nH+]ccc21 ZINC000037663950 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174155369 /nfs/dbraw/zinc/15/53/69/174155369.db2.gz ICECDAFFCGOHJG-AWEZNQCLSA-N 1 1 250.386 2.817 10 0 CFAEMO CCC[NH+](CCC)[C@H](CN)c1ccc(OC)cc1OC ZINC000038827643 174157200 /nfs/dbraw/zinc/15/72/00/174157200.db2.gz JJODTCTZKIHSFE-OAHLLOKOSA-N 1 1 280.412 2.826 10 0 CFAEMO CCOc1cccc([C@H](CN)[NH+]2CCC(C)CC2)c1 ZINC000038970637 174160347 /nfs/dbraw/zinc/16/03/47/174160347.db2.gz PZTLLTSJEABJAB-INIZCTEOSA-N 1 1 262.397 2.817 10 0 CFAEMO C[N@@H+]1Cc2ccc(NC(=O)c3ccccc3)cc2C1 ZINC000039073147 174162442 /nfs/dbraw/zinc/16/24/42/174162442.db2.gz SINNTLBUERQDSM-UHFFFAOYSA-N 1 1 252.317 2.884 10 0 CFAEMO C[N@H+]1Cc2ccc(NC(=O)c3ccccc3)cc2C1 ZINC000039073147 174162445 /nfs/dbraw/zinc/16/24/45/174162445.db2.gz SINNTLBUERQDSM-UHFFFAOYSA-N 1 1 252.317 2.884 10 0 CFAEMO COc1ccc([C@H](CN)[N@H+]2[C@H](C)CCC[C@@H]2C)cc1OC ZINC000039789160 174173503 /nfs/dbraw/zinc/17/35/03/174173503.db2.gz YJLQILLSWPJEAF-GUTXKFCHSA-N 1 1 292.423 2.967 10 0 CFAEMO COc1ccc([C@H](CN)[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1OC ZINC000039789160 174173504 /nfs/dbraw/zinc/17/35/04/174173504.db2.gz YJLQILLSWPJEAF-GUTXKFCHSA-N 1 1 292.423 2.967 10 0 CFAEMO CC[N@H+]1CCC[C@@H](Nc2ncnc3ccccc32)C1 ZINC000040503210 174299606 /nfs/dbraw/zinc/29/96/06/174299606.db2.gz ZSOBAWJHIOXPCS-GFCCVEGCSA-N 1 1 256.353 2.526 10 0 CFAEMO Cc1nc(C)c([C@H](C)[NH2+][C@@H](C)c2cc[nH]n2)s1 ZINC000040518375 174308110 /nfs/dbraw/zinc/30/81/10/174308110.db2.gz YWJVYXYOVMGAGA-YUMQZZPRSA-N 1 1 250.371 2.895 10 0 CFAEMO Cc1sc2ncnc(NCCc3[nH+]ccn3C)c2c1C ZINC000040639709 174363690 /nfs/dbraw/zinc/36/36/90/174363690.db2.gz JDMSJGJLZRTQIN-UHFFFAOYSA-N 1 1 287.392 2.696 10 0 CFAEMO C[C@H](N[C@H]1CCC[N@H+](C)C1)c1c(F)cccc1F ZINC000040671909 174369597 /nfs/dbraw/zinc/36/95/97/174369597.db2.gz RQKQWSHKVLCWIJ-QWRGUYRKSA-N 1 1 254.324 2.710 10 0 CFAEMO C[C@H](N[C@H]1CCC[N@@H+](C)C1)c1c(F)cccc1F ZINC000040671909 174369598 /nfs/dbraw/zinc/36/95/98/174369598.db2.gz RQKQWSHKVLCWIJ-QWRGUYRKSA-N 1 1 254.324 2.710 10 0 CFAEMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)c(N)c2)C1 ZINC000040716895 174384675 /nfs/dbraw/zinc/38/46/75/174384675.db2.gz WUIYHIIZIAWXRG-JTQLQIEISA-N 1 1 281.787 2.593 10 0 CFAEMO CCN(Cc1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747463 174392682 /nfs/dbraw/zinc/39/26/82/174392682.db2.gz ZCGFOTSLRVSMNY-XYPWUTKMSA-N 1 1 262.372 2.931 10 0 CFAEMO COc1ccc([C@H](C)[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1OC ZINC000040749184 174393484 /nfs/dbraw/zinc/39/34/84/174393484.db2.gz YYGHXTWJHRKNCK-PRTUASRFSA-N 1 1 290.407 2.719 10 0 CFAEMO COc1ccc([C@H](C)N2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1OC ZINC000040749184 174393485 /nfs/dbraw/zinc/39/34/85/174393485.db2.gz YYGHXTWJHRKNCK-PRTUASRFSA-N 1 1 290.407 2.719 10 0 CFAEMO CCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040749258 174394003 /nfs/dbraw/zinc/39/40/03/174394003.db2.gz ZPZITLKCJRATLB-GOOCMWNKSA-N 1 1 260.381 2.539 10 0 CFAEMO CCOc1ccc(CN2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040749258 174394005 /nfs/dbraw/zinc/39/40/05/174394005.db2.gz ZPZITLKCJRATLB-GOOCMWNKSA-N 1 1 260.381 2.539 10 0 CFAEMO C[C@H](CCc1ccccc1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749033 174394161 /nfs/dbraw/zinc/39/41/61/174394161.db2.gz SSYOYMBBUCDKDE-HZTRTUMWSA-N 1 1 258.409 2.962 10 0 CFAEMO C[C@@H]1CCC[C@H](OC(=O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000040953893 174438729 /nfs/dbraw/zinc/43/87/29/174438729.db2.gz ZLIGLVHWUWWFMV-SNPRPXQTSA-N 1 1 261.365 2.678 10 0 CFAEMO [NH3+]C1C[C@H]2CC[C@@H](C1)N2c1ccnc2ccccc21 ZINC000041721461 174618149 /nfs/dbraw/zinc/61/81/49/174618149.db2.gz ICIDSELRZGDIPA-YHWZYXNKSA-N 1 1 253.349 2.693 10 0 CFAEMO CC[C@H](CC(N)=[NH2+])N(Cc1cccs1)C1CC1 ZINC000042516059 174767129 /nfs/dbraw/zinc/76/71/29/174767129.db2.gz FMQPEDQDYJIJFX-SNVBAGLBSA-N 1 1 251.399 2.817 10 0 CFAEMO CCCCC[N@@H+](Cc1ccc(C(N)=O)cc1N)C(C)C ZINC000042553842 174791593 /nfs/dbraw/zinc/79/15/93/174791593.db2.gz ZYYRHKDUUZIKPG-UHFFFAOYSA-N 1 1 277.412 2.768 10 0 CFAEMO COCC[N@@H+](CCNc1ccccc1)[C@H](C)C1CC1 ZINC000042689430 174837216 /nfs/dbraw/zinc/83/72/16/174837216.db2.gz DXQKFADNNNFKMQ-CQSZACIVSA-N 1 1 262.397 2.845 10 0 CFAEMO CC[C@H](N)[C@H](c1cccnc1)[N@H+](CC(C)C)C1CC1 ZINC000043348387 175018557 /nfs/dbraw/zinc/01/85/57/175018557.db2.gz UXLVTCDPYXHEIK-HOTGVXAUSA-N 1 1 261.413 2.980 10 0 CFAEMO CC[C@H](N)[C@H](c1cccnc1)[N@@H+](CC(C)C)C1CC1 ZINC000043348387 175018559 /nfs/dbraw/zinc/01/85/59/175018559.db2.gz UXLVTCDPYXHEIK-HOTGVXAUSA-N 1 1 261.413 2.980 10 0 CFAEMO Cc1ccc([C@H]([C@@H](C)N)[N@H+](CCO)C2CCCCC2)o1 ZINC000043365191 175026224 /nfs/dbraw/zinc/02/62/24/175026224.db2.gz SDCWMOUTEISNBD-CJNGLKHVSA-N 1 1 280.412 2.603 10 0 CFAEMO Cc1ccc([C@H]([C@@H](C)N)[N@@H+](CCO)C2CCCCC2)o1 ZINC000043365191 175026226 /nfs/dbraw/zinc/02/62/26/175026226.db2.gz SDCWMOUTEISNBD-CJNGLKHVSA-N 1 1 280.412 2.603 10 0 CFAEMO Cc1cc(C)cc([C@H](CN)[N@H+](C)CCc2ccccn2)c1 ZINC000043393940 175035157 /nfs/dbraw/zinc/03/51/57/175035157.db2.gz FCVVBNNUYDXKFH-SFHVURJKSA-N 1 1 283.419 2.873 10 0 CFAEMO Cc1cc(C)cc([C@H](CN)[N@@H+](C)CCc2ccccn2)c1 ZINC000043393940 175035159 /nfs/dbraw/zinc/03/51/59/175035159.db2.gz FCVVBNNUYDXKFH-SFHVURJKSA-N 1 1 283.419 2.873 10 0 CFAEMO Cc1ccc(N(CCC(N)=S)CC(C)C)[nH+]c1 ZINC000043418649 175038831 /nfs/dbraw/zinc/03/88/31/175038831.db2.gz GKFZNXCVSMFTMU-UHFFFAOYSA-N 1 1 251.399 2.529 10 0 CFAEMO CC[N@@H+]1CCC[C@H]1CNCc1ccc(O)c(Cl)c1 ZINC000043476927 175054644 /nfs/dbraw/zinc/05/46/44/175054644.db2.gz PAYGNDKCYVVPJB-LBPRGKRZSA-N 1 1 268.788 2.620 10 0 CFAEMO CC[N@H+]1CCC[C@H]1CNCc1ccc(O)c(Cl)c1 ZINC000043476927 175054645 /nfs/dbraw/zinc/05/46/45/175054645.db2.gz PAYGNDKCYVVPJB-LBPRGKRZSA-N 1 1 268.788 2.620 10 0 CFAEMO C[C@@H](C[C@H](CN)[N@H+](C)[C@@H]1CCSC1)c1ccccc1 ZINC000043534716 175062978 /nfs/dbraw/zinc/06/29/78/175062978.db2.gz GFYLJXXKCNEABB-NUEKZKHPSA-N 1 1 278.465 2.945 10 0 CFAEMO C[C@@H](C[C@H](CN)[N@@H+](C)[C@@H]1CCSC1)c1ccccc1 ZINC000043534716 175062980 /nfs/dbraw/zinc/06/29/80/175062980.db2.gz GFYLJXXKCNEABB-NUEKZKHPSA-N 1 1 278.465 2.945 10 0 CFAEMO CC[C@@H](C(N)=S)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000043540078 175063934 /nfs/dbraw/zinc/06/39/34/175063934.db2.gz NEJOGUPECCYWAT-NSHDSACASA-N 1 1 256.802 2.837 10 0 CFAEMO CCC[N@@H+](CC1CC1)C[C@H]1NCCc2ccccc21 ZINC000043596209 175076493 /nfs/dbraw/zinc/07/64/93/175076493.db2.gz INUTYMWPHLXOQO-QGZVFWFLSA-N 1 1 258.409 2.995 10 0 CFAEMO CCCN(CC1CC1)C[C@H]1[NH2+]CCc2ccccc21 ZINC000043596209 175076494 /nfs/dbraw/zinc/07/64/94/175076494.db2.gz INUTYMWPHLXOQO-QGZVFWFLSA-N 1 1 258.409 2.995 10 0 CFAEMO C[NH2+][C@H](c1ccc(C)o1)c1cc(OC)c(OC)cc1OC ZINC000043610502 175079329 /nfs/dbraw/zinc/07/93/29/175079329.db2.gz RYSOTDBUDIPDAW-INIZCTEOSA-N 1 1 291.347 2.923 10 0 CFAEMO CCOC(=O)[C@H](C)C[N@@H+](Cc1ccsc1)C1CC1 ZINC000043615417 175079812 /nfs/dbraw/zinc/07/98/12/175079812.db2.gz CXTXOOAOYXQDHM-LLVKDONJSA-N 1 1 267.394 2.912 10 0 CFAEMO CCOC(=O)C[C@H](C)NCCC[N@H+](C)C1CCCCC1 ZINC000043618120 175080553 /nfs/dbraw/zinc/08/05/53/175080553.db2.gz GAEOQAKCTHLZKL-AWEZNQCLSA-N 1 1 284.444 2.572 10 0 CFAEMO CCOC(=O)C[C@H](C)NCCC[N@@H+](C)C1CCCCC1 ZINC000043618120 175080554 /nfs/dbraw/zinc/08/05/54/175080554.db2.gz GAEOQAKCTHLZKL-AWEZNQCLSA-N 1 1 284.444 2.572 10 0 CFAEMO CN[C@H](C[NH+]1CCC(C)CC1)c1cc(C)ccc1OC ZINC000043806474 175108489 /nfs/dbraw/zinc/10/84/89/175108489.db2.gz SBTKKKSTSPOQMA-MRXNPFEDSA-N 1 1 276.424 2.996 10 0 CFAEMO CCC[NH2+][C@H](c1ccccc1)[C@H](C)N1CCN(CC)CC1 ZINC000043806165 175108545 /nfs/dbraw/zinc/10/85/45/175108545.db2.gz STGMPLZMAHJTOU-WMZOPIPTSA-N 1 1 289.467 2.753 10 0 CFAEMO CC[NH+](CC)[C@H]1CCc2cc(OC)ccc2[C@@H]1NC ZINC000043809092 175109455 /nfs/dbraw/zinc/10/94/55/175109455.db2.gz YLZAJOQOLUWOSD-HOTGVXAUSA-N 1 1 262.397 2.612 10 0 CFAEMO CCCc1ccc([C@H](CN2CCN(C)CC2)[NH2+]CC)cc1 ZINC000043810820 175110397 /nfs/dbraw/zinc/11/03/97/175110397.db2.gz APTFTVXZOIPSRR-SFHVURJKSA-N 1 1 289.467 2.537 10 0 CFAEMO CN[C@@H](C[NH+]1CCCCCC1)c1ccc(OC)c(OC)c1 ZINC000043812093 175110777 /nfs/dbraw/zinc/11/07/77/175110777.db2.gz BJUFEZBOPMREPY-HNNXBMFYSA-N 1 1 292.423 2.840 10 0 CFAEMO CN[C@H](c1ccc(OC)cc1)[C@@H](C)[N@H+](C)C(C)C ZINC000043813175 175110931 /nfs/dbraw/zinc/11/09/31/175110931.db2.gz QKYDQHWGTLOXBS-DOMZBBRYSA-N 1 1 250.386 2.684 10 0 CFAEMO CN[C@H](c1ccc(OC)cc1)[C@@H](C)[N@@H+](C)C(C)C ZINC000043813175 175110933 /nfs/dbraw/zinc/11/09/33/175110933.db2.gz QKYDQHWGTLOXBS-DOMZBBRYSA-N 1 1 250.386 2.684 10 0 CFAEMO CCN[C@H](C[NH+]1CCCCCC1)c1ccc2c(c1)OCO2 ZINC000043812196 175111135 /nfs/dbraw/zinc/11/11/35/175111135.db2.gz KBHQVGUQLVHIHQ-OAHLLOKOSA-N 1 1 290.407 2.942 10 0 CFAEMO CN[C@@H]1c2ccccc2OC[C@@H]1[N@H+](C)C1CCCCC1 ZINC000043815031 175111504 /nfs/dbraw/zinc/11/15/04/175111504.db2.gz KMOKKJXLXWHSAP-DOTOQJQBSA-N 1 1 274.408 2.973 10 0 CFAEMO CN[C@@H]1c2ccccc2OC[C@@H]1[N@@H+](C)C1CCCCC1 ZINC000043815031 175111505 /nfs/dbraw/zinc/11/15/05/175111505.db2.gz KMOKKJXLXWHSAP-DOTOQJQBSA-N 1 1 274.408 2.973 10 0 CFAEMO CCCC[N@H+](C)C[C@@H](NC)c1cccc(OC)c1 ZINC000043816727 175112520 /nfs/dbraw/zinc/11/25/20/175112520.db2.gz LCVZZOUKIJJTQN-OAHLLOKOSA-N 1 1 250.386 2.688 10 0 CFAEMO CCCC[N@@H+](C)C[C@@H](NC)c1cccc(OC)c1 ZINC000043816727 175112521 /nfs/dbraw/zinc/11/25/21/175112521.db2.gz LCVZZOUKIJJTQN-OAHLLOKOSA-N 1 1 250.386 2.688 10 0 CFAEMO CCCC[NH+](CCCC)[C@H]1CC2(CC[C@H]1NC)OCCO2 ZINC000043819463 175114181 /nfs/dbraw/zinc/11/41/81/175114181.db2.gz PPXTVPFDYSJHTG-CVEARBPZSA-N 1 1 298.471 2.772 10 0 CFAEMO CC[N@H+](C[C@@H](NC)c1ccc2c(c1)OCCCO2)C(C)C ZINC000043824198 175114386 /nfs/dbraw/zinc/11/43/86/175114386.db2.gz UDBVNLGEMFRTCS-OAHLLOKOSA-N 1 1 292.423 2.839 10 0 CFAEMO CC[N@@H+](C[C@@H](NC)c1ccc2c(c1)OCCCO2)C(C)C ZINC000043824198 175114388 /nfs/dbraw/zinc/11/43/88/175114388.db2.gz UDBVNLGEMFRTCS-OAHLLOKOSA-N 1 1 292.423 2.839 10 0 CFAEMO CC[NH2+][C@@H](C)c1ccc(OC)c(CN(C)C2CC2)c1 ZINC000043823428 175114511 /nfs/dbraw/zinc/11/45/11/175114511.db2.gz AWJNRLQXPOWEOM-LBPRGKRZSA-N 1 1 262.397 2.960 10 0 CFAEMO CN[C@@H](C[N@@H+](C)C1CCCC1)c1ccccc1OC ZINC000043883582 175116185 /nfs/dbraw/zinc/11/61/85/175116185.db2.gz JVUXVDLVFBTDNP-HNNXBMFYSA-N 1 1 262.397 2.830 10 0 CFAEMO C[NH2+][C@@H](CN(C)C1CCCC1)c1ccccc1OC ZINC000043883582 175116186 /nfs/dbraw/zinc/11/61/86/175116186.db2.gz JVUXVDLVFBTDNP-HNNXBMFYSA-N 1 1 262.397 2.830 10 0 CFAEMO CCC[N@H+](CC)C[C@@H](NC)c1cc(C)ccc1OC ZINC000043884428 175116504 /nfs/dbraw/zinc/11/65/04/175116504.db2.gz KAMHUBUVMYXGGX-OAHLLOKOSA-N 1 1 264.413 2.996 10 0 CFAEMO CCC[N@@H+](CC)C[C@@H](NC)c1cc(C)ccc1OC ZINC000043884428 175116506 /nfs/dbraw/zinc/11/65/06/175116506.db2.gz KAMHUBUVMYXGGX-OAHLLOKOSA-N 1 1 264.413 2.996 10 0 CFAEMO CN[C@@H](C[N@H+](C)CC(C)C)c1cc(C)ccc1OC ZINC000043886638 175116994 /nfs/dbraw/zinc/11/69/94/175116994.db2.gz XERSSXZRDNMLCF-HNNXBMFYSA-N 1 1 264.413 2.852 10 0 CFAEMO CN[C@@H](C[N@@H+](C)CC(C)C)c1cc(C)ccc1OC ZINC000043886638 175116996 /nfs/dbraw/zinc/11/69/96/175116996.db2.gz XERSSXZRDNMLCF-HNNXBMFYSA-N 1 1 264.413 2.852 10 0 CFAEMO CCC[NH2+][C@H]1CCC2(C[C@H]1N(CC)CC(C)C)OCCO2 ZINC000043888383 175117378 /nfs/dbraw/zinc/11/73/78/175117378.db2.gz CLOHWVKSNVUOJZ-JKSUJKDBSA-N 1 1 298.471 2.628 10 0 CFAEMO CCC[NH2+][C@H]1CCC2(C[C@@H]1N(CC)CC(C)C)OCCO2 ZINC000043888377 175117422 /nfs/dbraw/zinc/11/74/22/175117422.db2.gz CLOHWVKSNVUOJZ-HOTGVXAUSA-N 1 1 298.471 2.628 10 0 CFAEMO CCC[NH2+][C@H]1CCC2(C[C@H]1N1CCC[C@@H]1CC)OCCO2 ZINC000043904903 175122462 /nfs/dbraw/zinc/12/24/62/175122462.db2.gz VCSJXSGLFIJAGM-HRCADAONSA-N 1 1 296.455 2.525 10 0 CFAEMO CCN[C@H](C[N@@H+]1CCC[C@@H]1C)c1ccc(OC)cc1 ZINC000043903088 175122620 /nfs/dbraw/zinc/12/26/20/175122620.db2.gz FVSVDEKXCDVKJP-XJKSGUPXSA-N 1 1 262.397 2.830 10 0 CFAEMO CCN[C@H](C[N@H+]1CCC[C@@H]1C)c1ccc(OC)cc1 ZINC000043903088 175122622 /nfs/dbraw/zinc/12/26/22/175122622.db2.gz FVSVDEKXCDVKJP-XJKSGUPXSA-N 1 1 262.397 2.830 10 0 CFAEMO CC[NH2+][C@H](c1ccccc1)[C@H](C)N1CCN(C2CC2)CC1 ZINC000043967667 175129190 /nfs/dbraw/zinc/12/91/90/175129190.db2.gz FNHSDOQPAUSLIB-YJBOKZPZSA-N 1 1 287.451 2.506 10 0 CFAEMO CN[C@@H](c1ccccc1)[C@@H](C(C)C)[N@H+](C)[C@@H](C)COC ZINC000043969082 175130344 /nfs/dbraw/zinc/13/03/44/175130344.db2.gz KKEWICGZZMATKI-BHYGNILZSA-N 1 1 278.440 2.938 10 0 CFAEMO CN[C@@H](c1ccccc1)[C@@H](C(C)C)[N@@H+](C)[C@@H](C)COC ZINC000043969082 175130345 /nfs/dbraw/zinc/13/03/45/175130345.db2.gz KKEWICGZZMATKI-BHYGNILZSA-N 1 1 278.440 2.938 10 0 CFAEMO CC[NH2+][C@H]1CCCC[C@H]1N(CCOC)CC(C)C ZINC000043970445 175131362 /nfs/dbraw/zinc/13/13/62/175131362.db2.gz PDHALOTXUARYMX-LSDHHAIUSA-N 1 1 256.434 2.512 10 0 CFAEMO CC[C@@H](C)[N@H+](CCOC)[C@@H]1Cc2ccccc2[C@@H]1NC ZINC000043973140 175132496 /nfs/dbraw/zinc/13/24/96/175132496.db2.gz IBTQXEYKXRZYJH-XYPHTWIQSA-N 1 1 276.424 2.619 10 0 CFAEMO CC[C@@H](C)[N@@H+](CCOC)[C@@H]1Cc2ccccc2[C@@H]1NC ZINC000043973140 175132498 /nfs/dbraw/zinc/13/24/98/175132498.db2.gz IBTQXEYKXRZYJH-XYPHTWIQSA-N 1 1 276.424 2.619 10 0 CFAEMO CCC(CC)N(CCOC)[C@H]1CCCC[C@@H]1[NH2+]C ZINC000043977023 175133304 /nfs/dbraw/zinc/13/33/04/175133304.db2.gz YMCLIGFRARCTDS-GJZGRUSLSA-N 1 1 256.434 2.654 10 0 CFAEMO CCC[NH2+][C@@H]1CCC[C@@H]1N(CCOC)[C@@H](C)C1CC1 ZINC000043977833 175133314 /nfs/dbraw/zinc/13/33/14/175133314.db2.gz DHJHHMRYFIUIPU-IMJJTQAJSA-N 1 1 268.445 2.654 10 0 CFAEMO CCOc1ccccc1[C@H](O)C[N@H+]1CCCC[C@@H]1C ZINC000044116311 175141382 /nfs/dbraw/zinc/14/13/82/175141382.db2.gz RYUJPXOXMBQWAH-DZGCQCFKSA-N 1 1 263.381 2.993 10 0 CFAEMO COc1cccc([C@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000044120901 175142705 /nfs/dbraw/zinc/14/27/05/175142705.db2.gz XFZIANKQNJZZFR-MRXNPFEDSA-N 1 1 263.381 2.993 10 0 CFAEMO CCc1ccc([C@@H](O)[C@@H](C)[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000044121472 175142736 /nfs/dbraw/zinc/14/27/36/175142736.db2.gz ZMSINLKXNASKPY-KDOFPFPSSA-N 1 1 290.451 2.697 10 0 CFAEMO COc1ccccc1[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000044120563 175142840 /nfs/dbraw/zinc/14/28/40/175142840.db2.gz FXDCMUHVXAGFOZ-HNNXBMFYSA-N 1 1 263.381 2.993 10 0 CFAEMO CC(C)[C@H]([C@H](O)c1ccccc1)[N@@H+](C)C1CCN(C)CC1 ZINC000044121147 175142959 /nfs/dbraw/zinc/14/29/59/175142959.db2.gz YGXZPORSFDTYNV-QZTJIDSGSA-N 1 1 290.451 2.771 10 0 CFAEMO COc1ccc([C@@H](O)C[N@@H+](C)C2CCCC2)cc1OC ZINC000044128777 175144281 /nfs/dbraw/zinc/14/42/81/175144281.db2.gz WUYJAQSHMKAEDC-AWEZNQCLSA-N 1 1 279.380 2.612 10 0 CFAEMO C[C@@H]([C@@H](O)c1ccccc1)[N@@H+](C)CCc1ccccn1 ZINC000044125601 175144297 /nfs/dbraw/zinc/14/42/97/175144297.db2.gz KONIOHWEGWLPLS-WMLDXEAASA-N 1 1 270.376 2.678 10 0 CFAEMO CC[C@H](C)[N@@H+](C)[C@@H]1CCc2cc(OC)ccc2[C@@H]1O ZINC000044126410 175144463 /nfs/dbraw/zinc/14/44/63/175144463.db2.gz RAFRMLIUOZQDAJ-XZJROXQQSA-N 1 1 263.381 2.774 10 0 CFAEMO COc1ccc([C@@H](O)[C@@H](C)[N@@H+](C)CC(C)C)cc1 ZINC000044129842 175145050 /nfs/dbraw/zinc/14/50/50/175145050.db2.gz GKHFBALLFYHDBF-DOMZBBRYSA-N 1 1 251.370 2.705 10 0 CFAEMO Cc1ccc([C@@H](O)[C@H](C)[N@@H+](C)Cc2ccccn2)cc1 ZINC000044133554 175145274 /nfs/dbraw/zinc/14/52/74/175145274.db2.gz WBNCBFIXPKJZKU-YOEHRIQHSA-N 1 1 270.376 2.944 10 0 CFAEMO Cc1ccc([C@@H](O)[C@@H](C)[N@@H+](C)Cc2ccncc2)cc1 ZINC000044134186 175145500 /nfs/dbraw/zinc/14/55/00/175145500.db2.gz HLHLNXIKXPCMGA-PBHICJAKSA-N 1 1 270.376 2.944 10 0 CFAEMO C[N@H+](Cc1ccncc1)C[C@@H](O)c1cc2ccccc2o1 ZINC000044134110 175145687 /nfs/dbraw/zinc/14/56/87/175145687.db2.gz GHOYNBXCEHQUEV-OAHLLOKOSA-N 1 1 282.343 2.993 10 0 CFAEMO CC(C)[C@H]([C@@H](O)c1ccccc1)[N@H+]1CCOC(C)(C)C1 ZINC000044159847 175146821 /nfs/dbraw/zinc/14/68/21/175146821.db2.gz BDOTUAAVUUYOML-CVEARBPZSA-N 1 1 277.408 2.855 10 0 CFAEMO CC(C)[C@@H]([C@H](O)c1ccccc1)[N@@H+](C)C1CCOCC1 ZINC000044160098 175146876 /nfs/dbraw/zinc/14/68/76/175146876.db2.gz IERLWAMKFQQELP-DLBZAZTESA-N 1 1 277.408 2.855 10 0 CFAEMO CC1(C)C[N@H+](C[C@H](O)c2cc3ccccc3o2)CCO1 ZINC000044159859 175146942 /nfs/dbraw/zinc/14/69/42/175146942.db2.gz MNVXTVCQSRRCOG-ZDUSSCGKSA-N 1 1 275.348 2.577 10 0 CFAEMO CC1(C)C[N@@H+](C[C@H](O)c2cc3ccccc3o2)CCO1 ZINC000044159859 175146943 /nfs/dbraw/zinc/14/69/43/175146943.db2.gz MNVXTVCQSRRCOG-ZDUSSCGKSA-N 1 1 275.348 2.577 10 0 CFAEMO C[N@@H+](C[C@@H](O)c1cccc2ccccc21)C1CCOCC1 ZINC000044160078 175147085 /nfs/dbraw/zinc/14/70/85/175147085.db2.gz WCZKHKRVHGCRLW-GOSISDBHSA-N 1 1 285.387 2.984 10 0 CFAEMO CC[C@H]([C@@H](O)c1ccccc1)[N@H+]1CCOC(C)(C)C1 ZINC000044159893 175147088 /nfs/dbraw/zinc/14/70/88/175147088.db2.gz SXYSPLUJEOSLBO-CABCVRRESA-N 1 1 263.381 2.609 10 0 CFAEMO CC[C@@H]([C@H](O)c1ccccc1)[N@@H+](C)C1CCOCC1 ZINC000044160143 175147168 /nfs/dbraw/zinc/14/71/68/175147168.db2.gz XEMAIBTUTSGOAU-JKSUJKDBSA-N 1 1 263.381 2.609 10 0 CFAEMO CCC[C@@H](O)[C@H](CC)N1CCC([NH+]2CCCCC2)CC1 ZINC000044162334 175147240 /nfs/dbraw/zinc/14/72/40/175147240.db2.gz CSSGIBPDVUSMMW-DLBZAZTESA-N 1 1 282.472 2.876 10 0 CFAEMO Cc1ccc([C@@H](O)[C@@H](C)[N@@H+](C)CCc2ccncc2)cc1 ZINC000044161117 175147657 /nfs/dbraw/zinc/14/76/57/175147657.db2.gz POGWJWDKRBZQOH-QAPCUYQASA-N 1 1 284.403 2.986 10 0 CFAEMO CCCOc1ccc([C@H](O)C[N@@H+](CC)[C@@H](C)COC)cc1 ZINC000044165151 175147791 /nfs/dbraw/zinc/14/77/91/175147791.db2.gz VSFHFEYDTORIFY-WMLDXEAASA-N 1 1 295.423 2.866 10 0 CFAEMO COC[C@H](C)[N@@H+](C)[C@@H](C(C)C)[C@@H](O)c1ccccc1 ZINC000044166810 175148380 /nfs/dbraw/zinc/14/83/80/175148380.db2.gz UPOUERRVLHSMDT-BPUTZDHNSA-N 1 1 265.397 2.711 10 0 CFAEMO CC[C@H]([C@@H](O)c1ccccc1)[N@@H+](CC)C[C@@H]1CCCO1 ZINC000044166400 175148383 /nfs/dbraw/zinc/14/83/83/175148383.db2.gz AAQUFSPKBSCUSE-BBWFWOEESA-N 1 1 277.408 3.000 10 0 CFAEMO C[N@@H+](C[C@H](O)C12CC3CC(CC(C3)C1)C2)C[C@@H]1CCCO1 ZINC000044170913 175148632 /nfs/dbraw/zinc/14/86/32/175148632.db2.gz SGRUKKFOIJIEKP-WRECPOHLSA-N 1 1 293.451 2.675 10 0 CFAEMO COc1ccccc1C[N@@H+](C)[C@@H]1CCCCC[C@@H]1O ZINC000044171543 175148935 /nfs/dbraw/zinc/14/89/35/175148935.db2.gz RXWZJIDWIPJCPY-CABCVRRESA-N 1 1 263.381 2.821 10 0 CFAEMO CC[C@@H]([C@H](O)c1ccccc1)[N@@H+](CCOC)C1CC1 ZINC000044172006 175148973 /nfs/dbraw/zinc/14/89/73/175148973.db2.gz SDNREUAXNDWALL-JKSUJKDBSA-N 1 1 263.381 2.609 10 0 CFAEMO CC[N@@H+](CCOC)C[C@@H](O)c1cccc2ccccc21 ZINC000044173103 175149127 /nfs/dbraw/zinc/14/91/27/175149127.db2.gz UQHQQXDSPNJFMA-QGZVFWFLSA-N 1 1 273.376 2.842 10 0 CFAEMO CCC[C@H](O)[C@@H](CC)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000044173493 175149161 /nfs/dbraw/zinc/14/91/61/175149161.db2.gz BLLAGMNWBAICOX-CFVMTHIKSA-N 1 1 257.418 2.673 10 0 CFAEMO CCc1ccc([C@@H](O)[C@H](C)[N@@H+](CCOC)C2CC2)cc1 ZINC000044172232 175149188 /nfs/dbraw/zinc/14/91/88/175149188.db2.gz POLFTOUDAUUXOK-GUYCJALGSA-N 1 1 277.408 2.782 10 0 CFAEMO CC[C@@H]1CO[C@H](C)C[N@H+]1[C@@H]1CCCCCC[C@@H]1O ZINC000044175604 175149749 /nfs/dbraw/zinc/14/97/49/175149749.db2.gz VFLDVADKNDIFST-TUVASFSCSA-N 1 1 255.402 2.569 10 0 CFAEMO Cc1[nH+]ccn1C[C@H](O)C12CC3CC(CC(C3)C1)C2 ZINC000044181130 175151465 /nfs/dbraw/zinc/15/14/65/175151465.db2.gz PVGNXFOLNHZGFZ-DQGBIZLVSA-N 1 1 260.381 2.769 10 0 CFAEMO CCOc1ccccc1[C@@H](O)Cn1cc[nH+]c1CC ZINC000044189781 175152904 /nfs/dbraw/zinc/15/29/04/175152904.db2.gz HDAZJVXMXUUVHP-ZDUSSCGKSA-N 1 1 260.337 2.578 10 0 CFAEMO CCc1[nH+]ccn1[C@H]1CCc2cc(OC)ccc2[C@H]1O ZINC000044189570 175152915 /nfs/dbraw/zinc/15/29/15/175152915.db2.gz NUNINBLHQVXJJJ-GOEBONIOSA-N 1 1 272.348 2.675 10 0 CFAEMO C[N@H+]1CCC[C@@H](Nc2ccc(C(F)(F)F)cc2N)C1 ZINC000044372411 175168249 /nfs/dbraw/zinc/16/82/49/175168249.db2.gz BELUEVHDYGAAAU-SNVBAGLBSA-N 1 1 273.302 2.794 10 0 CFAEMO CC(C)C[N@@H+](CCOc1ccccc1)CCC(N)=S ZINC000044421510 175174447 /nfs/dbraw/zinc/17/44/47/175174447.db2.gz XFMAJCVBJZRQGK-UHFFFAOYSA-N 1 1 280.437 2.700 10 0 CFAEMO C[N@@H+](CCC(N)=S)Cc1ccc(C(F)(F)F)cc1 ZINC000044426588 175174762 /nfs/dbraw/zinc/17/47/62/175174762.db2.gz GKTGMJVLGYZRMF-UHFFFAOYSA-N 1 1 276.327 2.813 10 0 CFAEMO C[C@H](C(N)=S)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000044427330 175175293 /nfs/dbraw/zinc/17/52/93/175175293.db2.gz ZWSOIMZCLIZTBL-MRVPVSSYSA-N 1 1 287.226 2.556 10 0 CFAEMO Cn1cc([C@@H]([NH3+])c2cc3cc(Cl)ccc3o2)cn1 ZINC000044496553 175183152 /nfs/dbraw/zinc/18/31/52/175183152.db2.gz CBGXHNBXGBQDIM-CYBMUJFWSA-N 1 1 261.712 2.868 10 0 CFAEMO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCCN(C)C2)c(C)n1 ZINC000044532876 175196217 /nfs/dbraw/zinc/19/62/17/175196217.db2.gz OMGFDVRIPRUVOR-HOCLYGCPSA-N 1 1 275.440 2.999 10 0 CFAEMO Cc1cc(C)c([C@H](C)NC[C@@H]2CCC[N@H+](C)C2)c(C)n1 ZINC000044532876 175196218 /nfs/dbraw/zinc/19/62/18/175196218.db2.gz OMGFDVRIPRUVOR-HOCLYGCPSA-N 1 1 275.440 2.999 10 0 CFAEMO Cc1cc(C)c([C@H](C)NC[C@@H]2CCC[N@@H+](C)C2)c(C)n1 ZINC000044532876 175196219 /nfs/dbraw/zinc/19/62/19/175196219.db2.gz OMGFDVRIPRUVOR-HOCLYGCPSA-N 1 1 275.440 2.999 10 0 CFAEMO COc1ccc2c(c1)[C@H](NC[C@H]1CCCC[N@@H+]1C)CCO2 ZINC000044560965 175204843 /nfs/dbraw/zinc/20/48/43/175204843.db2.gz XFTRAFJPNZBKFG-CZUORRHYSA-N 1 1 290.407 2.593 10 0 CFAEMO COc1ccc2c(c1)[C@H](NC[C@H]1CCCC[N@H+]1C)CCO2 ZINC000044560965 175204845 /nfs/dbraw/zinc/20/48/45/175204845.db2.gz XFTRAFJPNZBKFG-CZUORRHYSA-N 1 1 290.407 2.593 10 0 CFAEMO C[N@@H+]1CCCC[C@@H]1CNCc1cc2c(c(Cl)c1)OCO2 ZINC000044561379 175205312 /nfs/dbraw/zinc/20/53/12/175205312.db2.gz QSDWDTDQGIALPX-GFCCVEGCSA-N 1 1 296.798 2.643 10 0 CFAEMO C[N@H+]1CCCC[C@@H]1CNCc1cc2c(c(Cl)c1)OCO2 ZINC000044561379 175205313 /nfs/dbraw/zinc/20/53/13/175205313.db2.gz QSDWDTDQGIALPX-GFCCVEGCSA-N 1 1 296.798 2.643 10 0 CFAEMO C[N@@H+]1CCCC[C@H]1CNCc1cccc(F)c1F ZINC000044562409 175205615 /nfs/dbraw/zinc/20/56/15/175205615.db2.gz MWEHWJVLGUUITC-LBPRGKRZSA-N 1 1 254.324 2.539 10 0 CFAEMO C[N@H+]1CCCC[C@H]1CNCc1cccc(F)c1F ZINC000044562409 175205616 /nfs/dbraw/zinc/20/56/16/175205616.db2.gz MWEHWJVLGUUITC-LBPRGKRZSA-N 1 1 254.324 2.539 10 0 CFAEMO C[N@H+]1CCCC[C@H]1CNc1ccc(N)c2cnccc12 ZINC000044563617 175207013 /nfs/dbraw/zinc/20/70/13/175207013.db2.gz HAMKYQFMCCYXPH-LBPRGKRZSA-N 1 1 270.380 2.713 10 0 CFAEMO C[C@@H]([NH2+][C@@H]1C[C@@H]1c1ccccc1)[C@@H]1CCCN(C)C1 ZINC000044674963 175226989 /nfs/dbraw/zinc/22/69/89/175226989.db2.gz BYKHQDVLMGTJNZ-MWQQHZPXSA-N 1 1 258.409 2.862 10 0 CFAEMO Nc1ccc(N[C@@H]2CC[N@H+](C3CC3)C2)c(C(F)(F)F)c1 ZINC000044689570 175232823 /nfs/dbraw/zinc/23/28/23/175232823.db2.gz HRZBMCGAMFOLRY-SNVBAGLBSA-N 1 1 285.313 2.936 10 0 CFAEMO Oc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000044747333 175242975 /nfs/dbraw/zinc/24/29/75/175242975.db2.gz FBPSHUPMWPDWEY-FZKQIMNGSA-N 1 1 286.419 2.844 10 0 CFAEMO C[C@H](Cn1c(N)nc2cc(F)ccc21)[NH+]1CCCCC1 ZINC000045005558 175288285 /nfs/dbraw/zinc/28/82/85/175288285.db2.gz RDIVHINZFUFKAH-LLVKDONJSA-N 1 1 276.359 2.632 10 0 CFAEMO C[N@@H+](CC(N)=S)Cc1ccc(C(C)(C)C)cc1 ZINC000045062933 175298793 /nfs/dbraw/zinc/29/87/93/175298793.db2.gz OQDICKLNXVKRGE-UHFFFAOYSA-N 1 1 250.411 2.702 10 0 CFAEMO C[N@@H+](CCC(=O)Nc1ccccc1N)CC(C)(C)C ZINC000045064517 175298909 /nfs/dbraw/zinc/29/89/09/175298909.db2.gz FNWZLPHVTMSBAS-UHFFFAOYSA-N 1 1 263.385 2.575 10 0 CFAEMO C[N@@H+](CC(N)=S)Cc1ccc(Cl)c(Cl)c1 ZINC000045062909 175298940 /nfs/dbraw/zinc/29/89/40/175298940.db2.gz GKEUUGGPTXZGNF-UHFFFAOYSA-N 1 1 263.193 2.711 10 0 CFAEMO C[N@@H+](CCc1nc2cc(N)ccc2[nH]1)CC(C)(C)C ZINC000045065158 175299648 /nfs/dbraw/zinc/29/96/48/175299648.db2.gz QMKUESAYYWAJBP-UHFFFAOYSA-N 1 1 260.385 2.666 10 0 CFAEMO C[N@H+](CCc1nc2ccc(N)cc2[nH]1)CC(C)(C)C ZINC000045065158 175299650 /nfs/dbraw/zinc/29/96/50/175299650.db2.gz QMKUESAYYWAJBP-UHFFFAOYSA-N 1 1 260.385 2.666 10 0 CFAEMO C[N@@H+](CCc1nc2ccc(N)cc2[nH]1)CC(C)(C)C ZINC000045065158 175299652 /nfs/dbraw/zinc/29/96/52/175299652.db2.gz QMKUESAYYWAJBP-UHFFFAOYSA-N 1 1 260.385 2.666 10 0 CFAEMO CC[C@@H](N)[C@H](c1cnn(C)c1)[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045067068 175300355 /nfs/dbraw/zinc/30/03/55/175300355.db2.gz ZUCAUGAONHWLKF-ZACQAIPSSA-N 1 1 290.455 2.853 10 0 CFAEMO CC[C@@H]([NH3+])[C@H](c1cnn(C)c1)N1CCC[C@@H]1C1CCCC1 ZINC000045067068 175300360 /nfs/dbraw/zinc/30/03/60/175300360.db2.gz ZUCAUGAONHWLKF-ZACQAIPSSA-N 1 1 290.455 2.853 10 0 CFAEMO C[N@H+](CC(C)(C)C)[C@@H](CN)c1ccc2c(c1)OCCCO2 ZINC000045070043 175300639 /nfs/dbraw/zinc/30/06/39/175300639.db2.gz GRBBCGZGZOUOBP-AWEZNQCLSA-N 1 1 292.423 2.826 10 0 CFAEMO C[N@@H+](CC(C)(C)C)[C@@H](CN)c1ccc2c(c1)OCCCO2 ZINC000045070043 175300640 /nfs/dbraw/zinc/30/06/40/175300640.db2.gz GRBBCGZGZOUOBP-AWEZNQCLSA-N 1 1 292.423 2.826 10 0 CFAEMO COc1ccc(C(=O)C[N@H+](C)CC(C)(C)C)cc1F ZINC000045084559 175303578 /nfs/dbraw/zinc/30/35/78/175303578.db2.gz UYJBKHJQTWOLJJ-UHFFFAOYSA-N 1 1 267.344 2.995 10 0 CFAEMO COc1ccc(C(=O)C[N@@H+](C)CC(C)(C)C)cc1F ZINC000045084559 175303579 /nfs/dbraw/zinc/30/35/79/175303579.db2.gz UYJBKHJQTWOLJJ-UHFFFAOYSA-N 1 1 267.344 2.995 10 0 CFAEMO COc1ccc([C@H](O)C[N@@H+](C)CC(C)(C)C)c(OC)c1 ZINC000045087250 175304473 /nfs/dbraw/zinc/30/44/73/175304473.db2.gz UPDINLVOAJUPNS-CQSZACIVSA-N 1 1 281.396 2.715 10 0 CFAEMO CCC[N@@H+](CC(N)=S)Cc1ccc(Cl)cc1 ZINC000045093562 175306564 /nfs/dbraw/zinc/30/65/64/175306564.db2.gz YQKTYLLULGATRB-UHFFFAOYSA-N 1 1 256.802 2.838 10 0 CFAEMO CCC[N@@H+](CC(N)=S)Cc1ccccc1Cl ZINC000045093496 175306649 /nfs/dbraw/zinc/30/66/49/175306649.db2.gz NDUNVWCLODZLQP-UHFFFAOYSA-N 1 1 256.802 2.838 10 0 CFAEMO CCC[N@@H+](CC(N)=S)Cc1cc(C)ccc1C ZINC000045093452 175307035 /nfs/dbraw/zinc/30/70/35/175307035.db2.gz CIZJIXYFBOXFFC-UHFFFAOYSA-N 1 1 250.411 2.802 10 0 CFAEMO CC(C)[N@H+]1CC[C@H](CNc2cc(N)cc(F)c2)C1 ZINC000045118710 175311373 /nfs/dbraw/zinc/31/13/73/175311373.db2.gz MKGZWYGIVMQAQL-LLVKDONJSA-N 1 1 251.349 2.550 10 0 CFAEMO CC(C)[N@H+]1CC[C@H](CNc2ccc(N)c3cccnc23)C1 ZINC000045118550 175311603 /nfs/dbraw/zinc/31/16/03/175311603.db2.gz LEOQTZOQHKBBMT-CYBMUJFWSA-N 1 1 284.407 2.959 10 0 CFAEMO Cn1cc[nH+]c1CCNc1ccc(N)c(C(F)(F)F)c1 ZINC000045118538 175311764 /nfs/dbraw/zinc/31/17/64/175311764.db2.gz CTTCTOKBWXVNMW-UHFFFAOYSA-N 1 1 284.285 2.676 10 0 CFAEMO Cc1cc(C)c(C(=O)[O-])c(NC[C@@H]2CC[N@H+](C(C)C)C2)[nH+]1 ZINC000045137618 175314692 /nfs/dbraw/zinc/31/46/92/175314692.db2.gz MDHXTOGRBCLGLN-ZDUSSCGKSA-N 1 1 291.395 2.539 10 0 CFAEMO CC(C)c1ccc(C[N@@H+](C)[C@@H](C)C(N)=S)cc1 ZINC000045147008 175316767 /nfs/dbraw/zinc/31/67/67/175316767.db2.gz JEUMKMOXSZZVPU-NSHDSACASA-N 1 1 250.411 2.916 10 0 CFAEMO Cc1nn(C)c(C)c1[C@@H](C)NC[C@@H](C)[NH+]1CCCCC1 ZINC000045171905 175321256 /nfs/dbraw/zinc/32/12/56/175321256.db2.gz JKGQTLRPYIJRIS-CHWSQXEVSA-N 1 1 278.444 2.562 10 0 CFAEMO Cc1nn(C)c(C)c1[C@@H](C)N[C@@H](CC(C)C)C[NH+](C)C ZINC000045171303 175321368 /nfs/dbraw/zinc/32/13/68/175321368.db2.gz HYKZLHYFHCOFRH-DOMZBBRYSA-N 1 1 280.460 2.664 10 0 CFAEMO CCCC[N@@H+](CC)CC[C@@](C)(NC(C)C)C(=O)OCC ZINC000045223425 175331251 /nfs/dbraw/zinc/33/12/51/175331251.db2.gz FKXJAKARKIWRAL-MRXNPFEDSA-N 1 1 286.460 2.818 10 0 CFAEMO CCN[C@](C)(CC[N@@H+](CC)C1CCCCC1)C(=O)OCC ZINC000045224148 175332411 /nfs/dbraw/zinc/33/24/11/175332411.db2.gz QZUJPESZOJTLJO-QGZVFWFLSA-N 1 1 298.471 2.962 10 0 CFAEMO CCOC(=O)[C@](C)(CC[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(C)C ZINC000045224719 175332835 /nfs/dbraw/zinc/33/28/35/175332835.db2.gz WWRIMDIASPFNLQ-UXLLHSPISA-N 1 1 298.471 2.674 10 0 CFAEMO CCCN[C@](C)(C[N@@H+]1[C@H](C)CCC[C@@H]1C)C(=O)OCC ZINC000045231798 175335677 /nfs/dbraw/zinc/33/56/77/175335677.db2.gz OHTDACHCEJYPEG-IJEWVQPXSA-N 1 1 284.444 2.571 10 0 CFAEMO CCCCC[N@@H+](C)C[C@@](N)(C(=O)OCC)c1ccccc1 ZINC000045268068 175339650 /nfs/dbraw/zinc/33/96/50/175339650.db2.gz YXEDNLAHSVCGND-KRWDZBQOSA-N 1 1 292.423 2.526 10 0 CFAEMO CCN[C@@](C)(C[N@@H+](C)C1CCCCCC1)C(=O)OCC ZINC000045271907 175342250 /nfs/dbraw/zinc/34/22/50/175342250.db2.gz HNNHWKBKIJYNJQ-INIZCTEOSA-N 1 1 284.444 2.572 10 0 CFAEMO COC(=O)[C@](C)(CC[N@@H+](C)C1CCCCCC1)NC(C)C ZINC000045272011 175342491 /nfs/dbraw/zinc/34/24/91/175342491.db2.gz BMNCTWNIBFMBSG-KRWDZBQOSA-N 1 1 298.471 2.961 10 0 CFAEMO CCCN[C@@](C)(CC[N@@H+](C)[C@@H](C)CCC)C(=O)OCC ZINC000045271212 175342666 /nfs/dbraw/zinc/34/26/66/175342666.db2.gz KDXFHVOAMOMSRK-HOCLYGCPSA-N 1 1 286.460 2.818 10 0 CFAEMO CCN[C@](C)(CC[N@@H+](C)C1CCCCCC1)C(=O)OC ZINC000045271993 175342761 /nfs/dbraw/zinc/34/27/61/175342761.db2.gz HWMBZTVPVQCUKK-MRXNPFEDSA-N 1 1 284.444 2.572 10 0 CFAEMO CC(C)[NH2+][C@@](C)(CC[N@@H+](C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000045274780 175345065 /nfs/dbraw/zinc/34/50/65/175345065.db2.gz ARPFXOLUZHMWAK-WFASDCNBSA-N 1 1 272.433 2.584 10 0 CFAEMO CCC[N@@H+](CC[C@@](C)(NC(C)C)C(=O)OCC)CC1CC1 ZINC000045276942 175346745 /nfs/dbraw/zinc/34/67/45/175346745.db2.gz UPNIZLOWZPDPCW-QGZVFWFLSA-N 1 1 298.471 2.818 10 0 CFAEMO CCCN[C@](C)(C[N@@H+](C)C1CCC(C)CC1)C(=O)OCC ZINC000045280547 175350168 /nfs/dbraw/zinc/35/01/68/175350168.db2.gz XCETWZIMIZVMPW-VMBOVVBDSA-N 1 1 298.471 2.818 10 0 CFAEMO CCCN[C@@](C)(CC[N@@H+](CC(C)C)C(C)C)C(=O)OC ZINC000045280771 175350614 /nfs/dbraw/zinc/35/06/14/175350614.db2.gz LJVDKAZOBYIMKQ-INIZCTEOSA-N 1 1 286.460 2.674 10 0 CFAEMO CCOC(=O)[C@@](C)(CC[N@@H+](CC1CC1)C(C)C)NC(C)C ZINC000045281057 175351362 /nfs/dbraw/zinc/35/13/62/175351362.db2.gz NRXOSFJEFMTEIQ-QGZVFWFLSA-N 1 1 298.471 2.817 10 0 CFAEMO CCCN[C@](C)(C[N@@H+](C)CC1CCCCC1)C(=O)OCC ZINC000045281574 175352622 /nfs/dbraw/zinc/35/26/22/175352622.db2.gz JEJQYLQCBFKYIX-QGZVFWFLSA-N 1 1 298.471 2.820 10 0 CFAEMO CCCN[C@@](C)(CC[N@@H+](C)CC1CCCCC1)C(=O)OC ZINC000045281669 175352987 /nfs/dbraw/zinc/35/29/87/175352987.db2.gz TVGYDDGXBSUOCE-KRWDZBQOSA-N 1 1 298.471 2.820 10 0 CFAEMO CCCN[C@](C)(CCCC[N@H+]1CCC[C@@H]1C)C(=O)OCC ZINC000045367811 175363047 /nfs/dbraw/zinc/36/30/47/175363047.db2.gz SJHTXDCXZSKVLM-DOTOQJQBSA-N 1 1 298.471 2.962 10 0 CFAEMO CCCN[C@@](C)(CCC[N@H+]1CCC[C@@H]1C)C(=O)OCC ZINC000045367941 175363326 /nfs/dbraw/zinc/36/33/26/175363326.db2.gz OKRIKSLPQNHEES-HOCLYGCPSA-N 1 1 284.444 2.572 10 0 CFAEMO CCCC[N@@H+](CC)CCCC[C@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000045370417 175363844 /nfs/dbraw/zinc/36/38/44/175363844.db2.gz FYYUFNJPEGXCQR-INIZCTEOSA-N 1 1 284.444 2.874 10 0 CFAEMO CCCC[N@@H+](CC)CCC[C@@](C)(NC1CC1)C(=O)OCC ZINC000045370786 175364417 /nfs/dbraw/zinc/36/44/17/175364417.db2.gz LSQCPFCSEUCTMJ-QGZVFWFLSA-N 1 1 298.471 2.962 10 0 CFAEMO CCN[C@@](C)(CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(=O)OC ZINC000045373346 175364759 /nfs/dbraw/zinc/36/47/59/175364759.db2.gz CBMWHQMIHFBJDS-UXLLHSPISA-N 1 1 298.471 2.676 10 0 CFAEMO CCN[C@](C)(CCC[N@H+]1CCCC[C@@H]1C)C(=O)OCC ZINC000045376149 175366550 /nfs/dbraw/zinc/36/65/50/175366550.db2.gz JOJRZMKFOLSTAX-GOEBONIOSA-N 1 1 284.444 2.572 10 0 CFAEMO CCOC(=O)[C@@](C)(CCC[N@@H+](C)C1CCCCC1)NC ZINC000045379136 175368750 /nfs/dbraw/zinc/36/87/50/175368750.db2.gz PVSLEWKZRDQEKS-MRXNPFEDSA-N 1 1 284.444 2.572 10 0 CFAEMO CCCN[C@@](C)(CCC[N@@H+](C)C1CCCCC1)C(=O)OC ZINC000045379155 175368766 /nfs/dbraw/zinc/36/87/66/175368766.db2.gz IZIWEJUZFDNTDP-KRWDZBQOSA-N 1 1 298.471 2.962 10 0 CFAEMO CCN(CCCC[C@](C)([NH2+]C)C(=O)OC)c1ccccc1 ZINC000045379884 175368992 /nfs/dbraw/zinc/36/89/92/175368992.db2.gz PSRCMZPRDPJVDA-KRWDZBQOSA-N 1 1 292.423 2.834 10 0 CFAEMO CC[NH2+][C@@](C)(CCCN(CC)c1ccccc1)C(=O)OC ZINC000045379939 175369155 /nfs/dbraw/zinc/36/91/55/175369155.db2.gz DJICTWAQJMZEAQ-KRWDZBQOSA-N 1 1 292.423 2.834 10 0 CFAEMO CCN[C@](C)(CCC[N@@H+](CC)CC(C)C)C(=O)OCC ZINC000045381831 175370509 /nfs/dbraw/zinc/37/05/09/175370509.db2.gz UORQOZMJDBZNLV-MRXNPFEDSA-N 1 1 286.460 2.676 10 0 CFAEMO CC[N@@H+](CCCC[C@@](C)(NC(C)C)C(=O)OC)C(C)C ZINC000045383707 175371573 /nfs/dbraw/zinc/37/15/73/175371573.db2.gz RCXGDXVBKJGFIU-MRXNPFEDSA-N 1 1 286.460 2.817 10 0 CFAEMO CCN[C@@](C)(CCC[N@@H+](CC)[C@@H](C)CC)C(=O)OCC ZINC000045385494 175372472 /nfs/dbraw/zinc/37/24/72/175372472.db2.gz DVEGGUYSAZSGEU-HOCLYGCPSA-N 1 1 286.460 2.818 10 0 CFAEMO CCCCC[N@@H+](C)CCCC[C@@](C)(NCC)C(=O)OC ZINC000045387979 175374148 /nfs/dbraw/zinc/37/41/48/175374148.db2.gz TWLSKAKYCZOZCS-MRXNPFEDSA-N 1 1 286.460 2.820 10 0 CFAEMO CCC(CC)[N@@H+](C)CCCC[C@@](C)(NC1CC1)C(=O)OC ZINC000045391499 175374565 /nfs/dbraw/zinc/37/45/65/175374565.db2.gz JQEKEAHRRIJRPV-QGZVFWFLSA-N 1 1 298.471 2.961 10 0 CFAEMO CCC[NH2+][C@@](C)(CCC[N@@H+](CC)C1CCCC1)C(=O)[O-] ZINC000045390547 175374617 /nfs/dbraw/zinc/37/46/17/175374617.db2.gz RHICZLVGHLJYGA-INIZCTEOSA-N 1 1 284.444 2.874 10 0 CFAEMO CCOC(=O)[C@](C)(N)CCCC[N@H+](CC)C1CCCC1 ZINC000045390459 175374747 /nfs/dbraw/zinc/37/47/47/175374747.db2.gz JPOVATIZUSYUEY-MRXNPFEDSA-N 1 1 284.444 2.702 10 0 CFAEMO CCOC(=O)[C@](C)(N)CCCC[N@@H+](CC)C1CCCC1 ZINC000045390459 175374749 /nfs/dbraw/zinc/37/47/49/175374749.db2.gz JPOVATIZUSYUEY-MRXNPFEDSA-N 1 1 284.444 2.702 10 0 CFAEMO CCN[C@@](C)(CCC[N@@H+](CC)C1CCCC1)C(=O)OCC ZINC000045390621 175375087 /nfs/dbraw/zinc/37/50/87/175375087.db2.gz JOYRRQGTBXBSPC-KRWDZBQOSA-N 1 1 298.471 2.962 10 0 CFAEMO CC(C)[NH2+][C@@](C)(CCCC[N@@H+](C)[C@@H](C)C(C)C)C(=O)[O-] ZINC000045391919 175375638 /nfs/dbraw/zinc/37/56/38/175375638.db2.gz WAUDZTPGTOEAND-HOCLYGCPSA-N 1 1 286.460 2.974 10 0 CFAEMO CCN[C@@](C)(CCC[N@@H+](C)[C@@H](C)C(C)C)C(=O)OCC ZINC000045392139 175375794 /nfs/dbraw/zinc/37/57/94/175375794.db2.gz REDYLXPIUCPOLR-HOCLYGCPSA-N 1 1 286.460 2.674 10 0 CFAEMO CCN[C@](C)(CCC[N@@H+](C)[C@@H](C)C(C)(C)C)C(=O)OC ZINC000045421026 175380165 /nfs/dbraw/zinc/38/01/65/175380165.db2.gz LTABGUNLLXYTNJ-XJKSGUPXSA-N 1 1 286.460 2.674 10 0 CFAEMO CC(C)[NH2+][C@](C)(CCC[N@@H+](C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000045421010 175380336 /nfs/dbraw/zinc/38/03/36/175380336.db2.gz RIHGXGFFRXBSAN-XJKSGUPXSA-N 1 1 286.460 2.974 10 0 CFAEMO CCc1ccccc1Nc1[nH+]c2ccccc2n1CC(N)=O ZINC000045918834 175386139 /nfs/dbraw/zinc/38/61/39/175386139.db2.gz WBJYVDFNMCVMMJ-UHFFFAOYSA-N 1 1 294.358 2.828 10 0 CFAEMO C[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@H]([NH+](C)CC(=O)[O-])CC1 ZINC000263486598 287307724 /nfs/dbraw/zinc/30/77/24/287307724.db2.gz HNBNWKVAYKVNOJ-PMPSAXMXSA-N 1 1 296.455 2.684 10 0 CFAEMO C[C@@H]1CCCC[C@H]1C[NH+]1CCC[C@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000263486598 287307727 /nfs/dbraw/zinc/30/77/27/287307727.db2.gz HNBNWKVAYKVNOJ-PMPSAXMXSA-N 1 1 296.455 2.684 10 0 CFAEMO C[C@@H]1CCCC[C@H]1C[NH+]1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000263486598 287307730 /nfs/dbraw/zinc/30/77/30/287307730.db2.gz HNBNWKVAYKVNOJ-PMPSAXMXSA-N 1 1 296.455 2.684 10 0 CFAEMO CN(Cc1cccc(Br)c1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190412 176066103 /nfs/dbraw/zinc/06/61/03/176066103.db2.gz XTPSXYZSKMSWFL-CYBMUJFWSA-N 1 1 297.240 2.833 10 0 CFAEMO COCC[N@@H+](CCC(N)=S)Cc1ccc(Cl)s1 ZINC000071225898 176089830 /nfs/dbraw/zinc/08/98/30/176089830.db2.gz CMFXAOAJXIATTF-UHFFFAOYSA-N 1 1 292.857 2.526 10 0 CFAEMO CCC[N@@H+](CC)Cc1ccc(F)cc1C(N)=S ZINC000071265743 176099098 /nfs/dbraw/zinc/09/90/98/176099098.db2.gz TZAJFKBBSILUHK-UHFFFAOYSA-N 1 1 254.374 2.692 10 0 CFAEMO C[C@H]1CCC[C@@]2(CSC(NCc3nccn3C)=[NH+]2)C1 ZINC000071274589 176106240 /nfs/dbraw/zinc/10/62/40/176106240.db2.gz VBOPWPHAUACIBS-FZMZJTMJSA-N 1 1 278.425 2.561 10 0 CFAEMO Cn1ccnc1Cn1c2ccc(N)cc2[nH+]c1C(C)(C)C ZINC000071275915 176106687 /nfs/dbraw/zinc/10/66/87/176106687.db2.gz ORMFLIWBCTWXPK-UHFFFAOYSA-N 1 1 283.379 2.698 10 0 CFAEMO COc1cc(OC)cc(-c2nc3cc(C[NH3+])ccc3[nH]2)c1 ZINC000071633396 176237805 /nfs/dbraw/zinc/23/78/05/176237805.db2.gz RUJIBLJOXXCEOO-UHFFFAOYSA-N 1 1 283.331 2.706 10 0 CFAEMO Cc1ccc(C(C)(C)C)cc1CCOC(=O)[C@@H](C)[NH3+] ZINC000076363675 177003455 /nfs/dbraw/zinc/00/34/55/177003455.db2.gz DGPPCSKSFJLWEH-GFCCVEGCSA-N 1 1 263.381 2.725 10 0 CFAEMO C[C@H]1CC[C@@H](O)C[N@H+]1CCOc1ccccc1Cl ZINC000399159519 270326750 /nfs/dbraw/zinc/32/67/50/270326750.db2.gz CJPJAPDFDNNVER-NWDGAFQWSA-N 1 1 269.772 2.564 10 0 CFAEMO COC(=O)[C@@H]1CCC[N@@H+](CC/C=C\c2ccccc2)C1 ZINC000322956400 260068889 /nfs/dbraw/zinc/06/88/89/260068889.db2.gz SUZASBDLBFWOMZ-MGDKSHQASA-N 1 1 273.376 2.975 10 0 CFAEMO CC[C@@H]1CC[C@H](C)[N@@H+](Cc2ncccc2C(=O)OC)C1 ZINC000312689042 260191361 /nfs/dbraw/zinc/19/13/61/260191361.db2.gz NNVOQTHMZUDKJW-QWHCGFSZSA-N 1 1 276.380 2.879 10 0 CFAEMO CC[N@H+]1CCC[C@@H](NC(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000194321126 270244336 /nfs/dbraw/zinc/24/43/36/270244336.db2.gz IZCFHMRRYDFLDW-MRXNPFEDSA-N 1 1 287.407 2.781 10 0 CFAEMO CCOc1cccc(NC(=O)N[C@H]2CCC[N@@H+](CC)C2)c1 ZINC000194348385 270244969 /nfs/dbraw/zinc/24/49/69/270244969.db2.gz VIOZYOUECYVSGW-AWEZNQCLSA-N 1 1 291.395 2.691 10 0 CFAEMO CC(C)(CC[NH3+])NCc1ccc(Br)s1 ZINC000258964863 270274929 /nfs/dbraw/zinc/27/49/29/270274929.db2.gz YITRTHQPTCIEHZ-UHFFFAOYSA-N 1 1 277.231 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CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1c1cc(F)ccc1F ZINC000095752171 185025614 /nfs/dbraw/zinc/02/56/14/185025614.db2.gz IJWPUVLACAHXMD-CYBMUJFWSA-N 1 1 298.333 2.846 10 0 CFAEMO CC(C)(C)OC(=O)N1CC[NH2+][C@H](Cc2ccccc2F)C1 ZINC000095752378 185025971 /nfs/dbraw/zinc/02/59/71/185025971.db2.gz XYZKIVYTGXDJBW-CYBMUJFWSA-N 1 1 294.370 2.577 10 0 CFAEMO CC[C@H](CC(F)F)C[N@H+]1CCC[C@@H](C(=O)OC)C1 ZINC000595307086 349597998 /nfs/dbraw/zinc/59/79/98/349597998.db2.gz RRRQDXDPCUQHEJ-GHMZBOCLSA-N 1 1 263.328 2.553 10 0 CFAEMO Cc1cccc2nc(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)[nH]c21 ZINC000097034826 185157346 /nfs/dbraw/zinc/15/73/46/185157346.db2.gz WXZQTUJEFJSCSV-JLZZUVOBSA-N 1 1 297.402 2.919 10 0 CFAEMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCCC[C@@H]1C(C)C)C2 ZINC000335306647 282175071 /nfs/dbraw/zinc/17/50/71/282175071.db2.gz DFCRWIMHOLMWJW-GDBMZVCRSA-N 1 1 289.423 2.791 10 0 CFAEMO Cc1nccnc1[C@@H](C)[NH2+][C@H]1CCOc2ccccc21 ZINC000187697655 282221926 /nfs/dbraw/zinc/22/19/26/282221926.db2.gz 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ZINC000116175912 347785297 /nfs/dbraw/zinc/78/52/97/347785297.db2.gz YRPUJOJAHFKBPB-KRWDZBQOSA-N 1 1 268.360 2.842 10 0 CFAEMO OCc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000116177035 347785398 /nfs/dbraw/zinc/78/53/98/347785398.db2.gz ZVEZQYMWBIQJAZ-SFHVURJKSA-N 1 1 283.371 2.752 10 0 CFAEMO C[C@H]1C[NH2+][C@H](c2ccc(Br)cn2)S1 ZINC000130051849 347866561 /nfs/dbraw/zinc/86/65/61/347866561.db2.gz LIWQELMGIFEVEM-RCOVLWMOSA-N 1 1 259.172 2.568 10 0 CFAEMO C[C@H]1CS[C@H](c2ccc(Br)cn2)[NH2+]1 ZINC000130053510 347866925 /nfs/dbraw/zinc/86/69/25/347866925.db2.gz DWGODSOQPSRWEY-IMTBSYHQSA-N 1 1 259.172 2.568 10 0 CFAEMO CC[C@H]1CS[C@H](c2ccc(Br)cn2)[NH2+]1 ZINC000130061051 347867371 /nfs/dbraw/zinc/86/73/71/347867371.db2.gz AYBQRJLMYRMRNG-WCBMZHEXSA-N 1 1 273.199 2.958 10 0 CFAEMO C[C@H]1CS[C@]2(CCC[N@H+](Cc3ccccc3)C2)N1 ZINC000159140122 348010119 /nfs/dbraw/zinc/01/01/19/348010119.db2.gz VODZBAQKHNNPBM-ZFWWWQNUSA-N 1 1 262.422 2.704 10 0 CFAEMO C[C@H]1CS[C@]2(CCC[N@@H+](Cc3ccccc3)C2)N1 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ZINC000086817544 179344681 /nfs/dbraw/zinc/34/46/81/179344681.db2.gz FZSYOIKOIZECER-CQSZACIVSA-N 1 1 270.380 2.769 10 0 CFAEMO C[C@@H]([NH2+][C@H]1CCCN(C)CC1)c1ccc(F)cc1 ZINC000086817214 179344854 /nfs/dbraw/zinc/34/48/54/179344854.db2.gz HPEJKIZAKWGUNP-DOMZBBRYSA-N 1 1 250.361 2.961 10 0 CFAEMO C[N@H+]1CCC[C@H](Nc2cccc(-n3ccnc3)c2)CC1 ZINC000086817637 179345714 /nfs/dbraw/zinc/34/57/14/179345714.db2.gz YJAXDXCTLKUSNB-AWEZNQCLSA-N 1 1 270.380 2.769 10 0 CFAEMO CC(C)NC(=O)c1cccc(N[C@H]2CCC[N@@H+](C)CC2)c1 ZINC000086817922 179345725 /nfs/dbraw/zinc/34/57/25/179345725.db2.gz WUFGBGCCDHLXHL-HNNXBMFYSA-N 1 1 289.423 2.721 10 0 CFAEMO CCN(CC)c1ccc(N[C@H]2CCC[N@@H+](C)CC2)cn1 ZINC000086817948 179345933 /nfs/dbraw/zinc/34/59/33/179345933.db2.gz ZBMVFTOIOCWLGT-AWEZNQCLSA-N 1 1 276.428 2.824 10 0 CFAEMO CC(=O)Nc1ccc(C)c(N[C@@H]2CCC[N@H+](C)CC2)c1 ZINC000086818411 179346361 /nfs/dbraw/zinc/34/63/61/179346361.db2.gz OGBLCBUIGRKLCB-CQSZACIVSA-N 1 1 275.396 2.850 10 0 CFAEMO CC(C)NC(=O)c1ccc(N[C@@H]2CCC[N@@H+](C)CC2)cc1 ZINC000086818735 179346656 /nfs/dbraw/zinc/34/66/56/179346656.db2.gz KHIWLTLRFVSSRG-OAHLLOKOSA-N 1 1 289.423 2.721 10 0 CFAEMO CCC[N@H+]1CCC[C@H](Nc2cnn(CC)c2)CC1 ZINC000086837446 179351328 /nfs/dbraw/zinc/35/13/28/179351328.db2.gz PUXLWIUPQGQMDO-ZDUSSCGKSA-N 1 1 250.390 2.579 10 0 CFAEMO CCOC(=O)C[C@@]1([NH+](CC)CC)CCCN(CC)CC1 ZINC000086868546 179360520 /nfs/dbraw/zinc/36/05/20/179360520.db2.gz JLCMGZDGECCOST-MRXNPFEDSA-N 1 1 284.444 2.526 10 0 CFAEMO CCC[N@H+]1CCC[C@@H]([NH+]2CCC(CC)(C(=O)[O-])CC2)CC1 ZINC000086869179 179362166 /nfs/dbraw/zinc/36/21/66/179362166.db2.gz YRBDCYIABGJKHC-OAHLLOKOSA-N 1 1 296.455 2.828 10 0 CFAEMO CC(C)Oc1cc(N2CC[C@]3(CCC[N@H+]3C)C2)ccc1N ZINC000215977560 348162938 /nfs/dbraw/zinc/16/29/38/348162938.db2.gz OBCJKVYAJSWYKI-QGZVFWFLSA-N 1 1 289.423 2.731 10 0 CFAEMO C[C@@H]1C[NH2+][C@H](C)c2nc(C(F)(F)F)c(Br)n21 ZINC000221251938 348171073 /nfs/dbraw/zinc/17/10/73/348171073.db2.gz FLNZXLXGGKVHPD-RFZPGFLSSA-N 1 1 298.106 2.890 10 0 CFAEMO CC[N@H+]1CCC[C@@](N)(c2nc(C(C)C)cs2)CC1 ZINC000086851321 179358912 /nfs/dbraw/zinc/35/89/12/179358912.db2.gz XYMXOBTZRIIUNM-AWEZNQCLSA-N 1 1 267.442 2.926 10 0 CFAEMO CCC[N@H+]1CCC[C@@](O)(CCC(F)(F)F)CC1 ZINC000086852402 179359402 /nfs/dbraw/zinc/35/94/02/179359402.db2.gz GNCXEEGSKURBSQ-LLVKDONJSA-N 1 1 253.308 2.956 10 0 CFAEMO CC[N@H+]1CCC[C@@H](NC(=O)C[C@H](C)c2ccccc2F)C1 ZINC000245387116 348252705 /nfs/dbraw/zinc/25/27/05/348252705.db2.gz UKEYBBUZSLHXHJ-UONOGXRCSA-N 1 1 292.398 2.920 10 0 CFAEMO C[C@H]1C[C@@]2(C[N@H+]1Cc1ccccc1)NCCCS2 ZINC000306491100 348388257 /nfs/dbraw/zinc/38/82/57/348388257.db2.gz VVVKFTXWDIFCKL-DZGCQCFKSA-N 1 1 262.422 2.704 10 0 CFAEMO C[C@H]1C[C@@]2(CN1Cc1ccccc1)[NH2+]CCCS2 ZINC000306491100 348388259 /nfs/dbraw/zinc/38/82/59/348388259.db2.gz VVVKFTXWDIFCKL-DZGCQCFKSA-N 1 1 262.422 2.704 10 0 CFAEMO Cc1nnc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)s1 ZINC000306995333 348394384 /nfs/dbraw/zinc/39/43/84/348394384.db2.gz QALTUXFFXPMZPY-BXUZGUMPSA-N 1 1 288.420 2.921 10 0 CFAEMO C[N@H+]1CC[C@@H](Oc2ncc(Br)cc2Cl)C1 ZINC000306992750 348394594 /nfs/dbraw/zinc/39/45/94/348394594.db2.gz XGNLXLFQPZFVAD-MRVPVSSYSA-N 1 1 291.576 2.580 10 0 CFAEMO [NH3+][C@@H](c1cscn1)c1ccoc1Br ZINC000307041264 348395044 /nfs/dbraw/zinc/39/50/44/348395044.db2.gz KOGYFKAFMGVBHY-SSDOTTSWSA-N 1 1 259.128 2.547 10 0 CFAEMO [NH3+][C@H](c1cnsc1)c1ccoc1Br ZINC000404823033 348594916 /nfs/dbraw/zinc/59/49/16/348594916.db2.gz DXWMIKFGTWKZMH-SSDOTTSWSA-N 1 1 259.128 2.547 10 0 CFAEMO Cc1cnc([C@@H](C)NCC[C@@H]2CCCC[N@H+]2C)o1 ZINC000230644216 539658384 /nfs/dbraw/zinc/65/83/84/539658384.db2.gz HESBRLWDPVRLFA-OLZOCXBDSA-N 1 1 251.374 2.508 10 0 CFAEMO CNc1c(N)c[nH+]c2cc(Cl)c(C)c(Cl)c21 ZINC000584882204 348725728 /nfs/dbraw/zinc/72/57/28/348725728.db2.gz UORXGBKTSWFDMZ-UHFFFAOYSA-N 1 1 256.136 2.896 10 0 CFAEMO Nc1c[nH+]c2c(OCc3ccccc3)cccc2c1N ZINC000584882507 348726015 /nfs/dbraw/zinc/72/60/15/348726015.db2.gz IWFQCZBYKQIIBQ-UHFFFAOYSA-N 1 1 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ZINC000616659866 352402647 /nfs/dbraw/zinc/40/26/47/352402647.db2.gz JGFAZBZXMQTHLI-KRWDZBQOSA-N 1 1 282.387 2.885 10 0 CFAEMO c1nocc1[C@H]1CC[N@@H+](Cc2ccccc2)CCO1 ZINC000616663950 352403909 /nfs/dbraw/zinc/40/39/09/352403909.db2.gz WYTCKMUHEHVNMF-OAHLLOKOSA-N 1 1 258.321 2.638 10 0 CFAEMO c1nc([C@H]2CC[N@@H+](Cc3ccccc3)CCO2)co1 ZINC000616663628 352403927 /nfs/dbraw/zinc/40/39/27/352403927.db2.gz VDLHLMOHAHMDRN-OAHLLOKOSA-N 1 1 258.321 2.638 10 0 CFAEMO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NCc2cccc3[nH]ccc32)C1 ZINC000154101793 188123815 /nfs/dbraw/zinc/12/38/15/188123815.db2.gz JMVIULIMRHLPNQ-DYVFJYSZSA-N 1 1 271.408 2.986 10 0 CFAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NCc2cccc3[nH]ccc32)C1 ZINC000154101793 188123816 /nfs/dbraw/zinc/12/38/16/188123816.db2.gz JMVIULIMRHLPNQ-DYVFJYSZSA-N 1 1 271.408 2.986 10 0 CFAEMO CC(C)[N@@H+]1C[C@H](NC(=O)Cc2c[nH]c3ccccc23)[C@@H](C)C1 ZINC000155631383 188217527 /nfs/dbraw/zinc/21/75/27/188217527.db2.gz MHFPACIEGNMUTJ-GUYCJALGSA-N 1 1 299.418 2.555 10 0 CFAEMO 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/nfs/dbraw/zinc/95/92/00/393959200.db2.gz PFDVNXYEVRTHKK-UONOGXRCSA-N 1 1 281.444 2.689 10 0 CFAEMO CC[N@H+]1CCC[C@H](NC(=O)N([C@@H](C)C(C)C)C2CC2)C1 ZINC000121766624 393959309 /nfs/dbraw/zinc/95/93/09/393959309.db2.gz PFDVNXYEVRTHKK-KBPBESRZSA-N 1 1 281.444 2.689 10 0 CFAEMO CC[C@H](C[C@@H](C)CC)[NH2+]C1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000263499286 393962595 /nfs/dbraw/zinc/96/25/95/393962595.db2.gz KJMAWELDYZTFKO-ZUJMUWTESA-N 1 1 284.444 2.728 10 0 CFAEMO C[C@@H]1C[C@@H](C[NH2+]Cc2n[nH]c3ccccc32)C[C@H](C)O1 ZINC000684931824 542872462 /nfs/dbraw/zinc/87/24/62/542872462.db2.gz XZNVIDOLOLJHKP-CLLJXQQHSA-N 1 1 273.380 2.856 10 0 CFAEMO CC[C@](C)(O)C[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000123036238 393975410 /nfs/dbraw/zinc/97/54/10/393975410.db2.gz JIDQRRWMOXYJBC-AWEZNQCLSA-N 1 1 271.788 2.812 10 0 CFAEMO CC[C@@](C)(O)C[N@@H+](C)CCCOc1ccccc1C ZINC000123431324 393980858 /nfs/dbraw/zinc/98/08/58/393980858.db2.gz JPIPIFKBDNCKKI-MRXNPFEDSA-N 1 1 265.397 2.857 10 0 CFAEMO CCc1nnc(C[NH2+][C@@H](C)c2ccc(C)cc2C)[nH]1 ZINC000274556076 394042715 /nfs/dbraw/zinc/04/27/15/394042715.db2.gz BDACTDCAVQNFGA-LBPRGKRZSA-N 1 1 258.369 2.835 10 0 CFAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C[C@@H]1CC[C@H](C)C1 ZINC000133199573 394171451 /nfs/dbraw/zinc/17/14/51/394171451.db2.gz XIDHBRAYPGMFIF-RRFJBIMHSA-N 1 1 266.429 2.755 10 0 CFAEMO CC[C@@H]1CN2CCCC[C@H]2C[N@H+]1C[C@@H]1CCC=CO1 ZINC000364467591 394218176 /nfs/dbraw/zinc/21/81/76/394218176.db2.gz WPVBRVUOBRIFPP-PMPSAXMXSA-N 1 1 264.413 2.628 10 0 CFAEMO CCC[C@H](C)[C@H](CC)[NH2+]C[C@H](O)CN1CCCCC1 ZINC000151307667 394261709 /nfs/dbraw/zinc/26/17/09/394261709.db2.gz VPYGUHOETHVXAG-JYJNAYRXSA-N 1 1 270.461 2.638 10 0 CFAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(Cl)c(F)c2)C1 ZINC000154650530 394298769 /nfs/dbraw/zinc/29/87/69/394298769.db2.gz RDSMKKXEEHMLQX-YGRLFVJLSA-N 1 1 298.789 2.938 10 0 CFAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cccc(Cl)c1F ZINC000154811172 394302324 /nfs/dbraw/zinc/30/23/24/394302324.db2.gz AZMXRYVTZIXBKC-WDEREUQCSA-N 1 1 296.773 2.788 10 0 CFAEMO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cn2)o1 ZINC000171234505 394372118 /nfs/dbraw/zinc/37/21/18/394372118.db2.gz LWOTYGIKCMTEIC-SNVBAGLBSA-N 1 1 293.754 2.926 10 0 CFAEMO Cc1cccc(NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)c1O ZINC000174965462 542990893 /nfs/dbraw/zinc/99/08/93/542990893.db2.gz LZCXKAYRLJQKOO-INIZCTEOSA-N 1 1 298.386 2.812 10 0 CFAEMO Cc1n[nH]cc1[C@@H](C)[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000180023862 543009308 /nfs/dbraw/zinc/00/93/08/543009308.db2.gz MXFPKLQKFFSQAG-MLGOLLRUSA-N 1 1 272.396 2.672 10 0 CFAEMO CCc1nnc(C[NH2+][C@@H](C)c2ccccc2C)n1C ZINC000181534206 543023147 /nfs/dbraw/zinc/02/31/47/543023147.db2.gz YNRPEOSTERVDDO-LBPRGKRZSA-N 1 1 258.369 2.537 10 0 CFAEMO Fc1cc(F)c(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)cc1F ZINC000185223850 543047121 /nfs/dbraw/zinc/04/71/21/543047121.db2.gz PGYVEONXRGKMGO-GFCCVEGCSA-N 1 1 295.308 2.965 10 0 CFAEMO Fc1cc(F)c(C[N@H+]2CCC[C@@H]2Cn2ccnc2)cc1F ZINC000185223850 543047122 /nfs/dbraw/zinc/04/71/22/543047122.db2.gz PGYVEONXRGKMGO-GFCCVEGCSA-N 1 1 295.308 2.965 10 0 CFAEMO Cc1ccc2ncc(C[N@H+]3CCC[C@H]3Cn3ccnc3)n2c1 ZINC000188414329 543061790 /nfs/dbraw/zinc/06/17/90/543061790.db2.gz ZRCLEOBLWMLHDN-HNNXBMFYSA-N 1 1 295.390 2.504 10 0 CFAEMO CC[N@H+]1C[C@@H](C)[C@H](NCc2cscc2Cl)C1 ZINC000381740577 543090152 /nfs/dbraw/zinc/09/01/52/543090152.db2.gz OWLOOYMFYLEISY-BXKDBHETSA-N 1 1 258.818 2.831 10 0 CFAEMO CCN1C[C@@H](C)[C@H]([NH2+]Cc2cscc2Cl)C1 ZINC000381740577 543090156 /nfs/dbraw/zinc/09/01/56/543090156.db2.gz OWLOOYMFYLEISY-BXKDBHETSA-N 1 1 258.818 2.831 10 0 CFAEMO CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1CCC1(OC)CCC1 ZINC000394262909 397548666 /nfs/dbraw/zinc/54/86/66/397548666.db2.gz GZDSMAGQMSGXAM-JKSUJKDBSA-N 1 1 280.456 2.894 10 0 CFAEMO CC[C@H]1CN2CCCC[C@@H]2C[N@@H+]1CCC1(OC)CCC1 ZINC000394262909 397548670 /nfs/dbraw/zinc/54/86/70/397548670.db2.gz GZDSMAGQMSGXAM-JKSUJKDBSA-N 1 1 280.456 2.894 10 0 CFAEMO CC[C@H]1CN2CCCC[C@@H]2C[N@H+]1CCC1(OC)CCC1 ZINC000394262909 397548675 /nfs/dbraw/zinc/54/86/75/397548675.db2.gz GZDSMAGQMSGXAM-JKSUJKDBSA-N 1 1 280.456 2.894 10 0 CFAEMO CC[C@H]1C[N@H+]2CCCC[C@H]2CN1Cc1nn(C)cc1Cl ZINC000393611529 397545931 /nfs/dbraw/zinc/54/59/31/397545931.db2.gz WRCKQCDGNZHWIF-STQMWFEESA-N 1 1 296.846 2.522 10 0 CFAEMO Nc1cccc(Nc2cnn(Cc3ccccc3)c2)[nH+]1 ZINC000307387537 397644304 /nfs/dbraw/zinc/64/43/04/397644304.db2.gz MUDPLIIYJVJJKV-UHFFFAOYSA-N 1 1 265.320 2.652 10 0 CFAEMO CCc1cc(N[C@H]2CNc3ccccc3C2)nc(C)[nH+]1 ZINC000404469748 413207386 /nfs/dbraw/zinc/20/73/86/413207386.db2.gz ZYWHSQVCTYCWEO-CQSZACIVSA-N 1 1 268.364 2.796 10 0 CFAEMO CCOCC[N@H+]1CCN(C(=O)[C@@H](C)CC(C)C)C[C@H]1CC ZINC000184795124 286085350 /nfs/dbraw/zinc/08/53/50/286085350.db2.gz PCYUWFYNYVSWIE-JKSUJKDBSA-N 1 1 298.471 2.628 10 0 CFAEMO CCO[C@@H]1C[C@H](N(C)C(=O)C[N@@H+](C)C(C)C)C12CCCC2 ZINC000156189488 286316706 /nfs/dbraw/zinc/31/67/06/286316706.db2.gz ZFEYGPWTOVOVLU-LSDHHAIUSA-N 1 1 296.455 2.523 10 0 CFAEMO C[C@@H]([NH2+]Cc1cnc2n1CCC2)c1cc(F)ccc1F ZINC000657301295 413417704 /nfs/dbraw/zinc/41/77/04/413417704.db2.gz ZHDWZLFZGMVTCQ-SNVBAGLBSA-N 1 1 277.318 2.958 10 0 CFAEMO CC[C@@H]1C[N@@H+](CC2CCC(C)(C)CC2)CCN1C[C@@H](C)O ZINC000120724943 287192442 /nfs/dbraw/zinc/19/24/42/287192442.db2.gz IQZZCPLDRNEYFE-NVXWUHKLSA-N 1 1 296.499 2.980 10 0 CFAEMO CC(C)[C@H](CN[C@H](C)c1ccc(O)cc1)[NH+](C)C ZINC000020145600 171030823 /nfs/dbraw/zinc/03/08/23/171030823.db2.gz GMVWRSICHCCNII-DOMZBBRYSA-N 1 1 250.386 2.629 10 0 CFAEMO [NH3+][C@@H](Cc1ccc(O)cc1)c1nc2ccccc2o1 ZINC000020376037 171171400 /nfs/dbraw/zinc/17/14/00/171171400.db2.gz ZERRKQIWAVIGEC-LBPRGKRZSA-N 1 1 254.289 2.776 10 0 CFAEMO CCc1ccccc1NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000020563961 171253038 /nfs/dbraw/zinc/25/30/38/171253038.db2.gz RAORZQTXNYZQIN-OAHLLOKOSA-N 1 1 287.407 2.951 10 0 CFAEMO C[C@H]1CCCC[N@H+]1CCCNC1N=NC(=S)S1 ZINC000020581675 171257431 /nfs/dbraw/zinc/25/74/31/171257431.db2.gz CVWQKXGOQRTPCD-VIFPVBQESA-N 1 1 272.443 2.503 10 0 CFAEMO CCCOc1ccc(CNCC[NH+](CC)CC)cc1OC ZINC000020968031 171282634 /nfs/dbraw/zinc/28/26/34/171282634.db2.gz YBKHONMGBOUKFM-UHFFFAOYSA-N 1 1 294.439 2.915 10 0 CFAEMO C[C@H]1C[C@H](C)C[NH+]([C@@H](CN)c2ccc(F)cc2)C1 ZINC000022165562 171365501 /nfs/dbraw/zinc/36/55/01/171365501.db2.gz DYFBOAAPWLENIQ-HUBLWGQQSA-N 1 1 250.361 2.803 10 0 CFAEMO COc1cccc([C@H](CN)[NH+]2C[C@H](C)C[C@@H](C)C2)c1OC ZINC000022217732 171376394 /nfs/dbraw/zinc/37/63/94/171376394.db2.gz BCKVVEZOMAAIEM-NFAWXSAZSA-N 1 1 292.423 2.682 10 0 CFAEMO c1ccc2cc(NCC[NH+]3CCOCC3)ccc2c1 ZINC000035140471 172008290 /nfs/dbraw/zinc/00/82/90/172008290.db2.gz KWUYLHCSEJOAHU-UHFFFAOYSA-N 1 1 256.349 2.584 10 0 CFAEMO C[NH2+][C@H](c1cnn(-c2ccccc2)c1)c1ccco1 ZINC000035500406 172233839 /nfs/dbraw/zinc/23/38/39/172233839.db2.gz ITQGCHSVZFTYBH-OAHLLOKOSA-N 1 1 253.305 2.774 10 0 CFAEMO O[C@@H]1CCC[C@H](C[N@H+]2CCC[C@H](OC3CCC3)C2)C1 ZINC000660923210 413663569 /nfs/dbraw/zinc/66/35/69/413663569.db2.gz CKBDINOPIDDUGE-LZWOXQAQSA-N 1 1 267.413 2.571 10 0 CFAEMO C[N@@H+](Cc1ccc(Cl)c(N)c1)C1CCOCC1 ZINC000036320292 172601732 /nfs/dbraw/zinc/60/17/32/172601732.db2.gz KJOSMYFKOKCMSU-UHFFFAOYSA-N 1 1 254.761 2.533 10 0 CFAEMO COc1ccccc1CN[C@H](CC(C)C)C[NH+](C)C ZINC000037166699 173001080 /nfs/dbraw/zinc/00/10/80/173001080.db2.gz BXOLWKZYUGDMRT-OAHLLOKOSA-N 1 1 264.413 2.761 10 0 CFAEMO CC[C@@H](C)C[N@@H+](C)C[C@H](N)c1ccccc1OC ZINC000037172852 173006244 /nfs/dbraw/zinc/00/62/44/173006244.db2.gz RHDDFHUZIFSOQM-OCCSQVGLSA-N 1 1 250.386 2.673 10 0 CFAEMO CC[C@@H](C)C[N@@H+](C)Cc1ccc(C(N)=S)cc1F ZINC000037173240 173007851 /nfs/dbraw/zinc/00/78/51/173007851.db2.gz WULKKYBSDQXAPF-SNVBAGLBSA-N 1 1 268.401 2.938 10 0 CFAEMO CCC1CCC(CN)([N@@H+](C)[C@H]2CCSC2)CC1 ZINC000037174600 173009379 /nfs/dbraw/zinc/00/93/79/173009379.db2.gz ISHGSICSYXVXCK-MOKVOYLWSA-N 1 1 256.459 2.721 10 0 CFAEMO CCC1CCC(C[NH3+])(N(C)[C@H]2CCSC2)CC1 ZINC000037174600 173009380 /nfs/dbraw/zinc/00/93/80/173009380.db2.gz ISHGSICSYXVXCK-MOKVOYLWSA-N 1 1 256.459 2.721 10 0 CFAEMO C[N@H+]1CCCC[C@H]1CCSc1ncccc1N ZINC000037190353 173019881 /nfs/dbraw/zinc/01/98/81/173019881.db2.gz IXZUICGQDWCPFE-NSHDSACASA-N 1 1 251.399 2.630 10 0 CFAEMO OCC[NH2+][C@@H](c1ccco1)c1ccc(Cl)s1 ZINC000037250609 173063004 /nfs/dbraw/zinc/06/30/04/173063004.db2.gz CIODUCYFZLFUCG-NSHDSACASA-N 1 1 257.742 2.666 10 0 CFAEMO C[N@@H+](Cc1nc2cc(N)ccc2[nH]1)C1CCCCC1 ZINC000037272446 173083995 /nfs/dbraw/zinc/08/39/95/173083995.db2.gz KHPATIKMFNROOF-UHFFFAOYSA-N 1 1 258.369 2.910 10 0 CFAEMO C[N@H+](Cc1nc2ccc(N)cc2[nH]1)C1CCCCC1 ZINC000037272446 173083996 /nfs/dbraw/zinc/08/39/96/173083996.db2.gz KHPATIKMFNROOF-UHFFFAOYSA-N 1 1 258.369 2.910 10 0 CFAEMO C[N@@H+](Cc1nc2ccc(N)cc2[nH]1)C1CCCCC1 ZINC000037272446 173083997 /nfs/dbraw/zinc/08/39/97/173083997.db2.gz KHPATIKMFNROOF-UHFFFAOYSA-N 1 1 258.369 2.910 10 0 CFAEMO CC(C)C[C@H](C[NH+](C)C)NCc1cnn(C(C)(C)C)c1 ZINC000037321706 173122539 /nfs/dbraw/zinc/12/25/39/173122539.db2.gz VIGRLOYUQORONY-OAHLLOKOSA-N 1 1 280.460 2.704 10 0 CFAEMO CCCN(CCC)[C@@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000037325611 173127010 /nfs/dbraw/zinc/12/70/10/173127010.db2.gz UCDRNPMIJMGFRK-ZDUSSCGKSA-N 1 1 264.369 2.537 10 0 CFAEMO CC[NH+]1CCN([C@@H](C)C(=O)c2ccc(Cl)s2)CC1 ZINC000037332072 173133690 /nfs/dbraw/zinc/13/36/90/173133690.db2.gz SLHRRNXELHNLIY-JTQLQIEISA-N 1 1 286.828 2.610 10 0 CFAEMO COc1cc(C)ccc1C(=O)C[N@@H+]1CCC[C@H](C)C1 ZINC000037332590 173133754 /nfs/dbraw/zinc/13/37/54/173133754.db2.gz MYUKJJLSQXHDCU-ZDUSSCGKSA-N 1 1 261.365 2.918 10 0 CFAEMO COc1cc(C)ccc1C(=O)C[N@H+]1CCC[C@H](C)C1 ZINC000037332590 173133755 /nfs/dbraw/zinc/13/37/55/173133755.db2.gz MYUKJJLSQXHDCU-ZDUSSCGKSA-N 1 1 261.365 2.918 10 0 CFAEMO CCOc1ccc(C(=O)C[N@@H+](C)[C@H](C)C2CC2)cc1 ZINC000037338752 173140370 /nfs/dbraw/zinc/14/03/70/173140370.db2.gz VXZKFGIPDOWZKS-GFCCVEGCSA-N 1 1 261.365 2.998 10 0 CFAEMO Cc1c(C)n(-c2ccccc2C)c2nc[nH+]c(N)c12 ZINC000037352953 173146289 /nfs/dbraw/zinc/14/62/89/173146289.db2.gz DJDKIMWTSGJWDH-UHFFFAOYSA-N 1 1 252.321 2.928 10 0 CFAEMO Cc1c(C)n(CCc2cccs2)c2nc[nH+]c(N)c12 ZINC000037352911 173146418 /nfs/dbraw/zinc/14/64/18/173146418.db2.gz BQEAZISWCBHGMZ-UHFFFAOYSA-N 1 1 272.377 2.935 10 0 CFAEMO CCCN(CCC)[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037363703 173152222 /nfs/dbraw/zinc/15/22/22/173152222.db2.gz ZATRDKIMXFNGNW-HNNXBMFYSA-N 1 1 262.397 2.743 10 0 CFAEMO C(CC12CC3CC(CC(C3)C1)C2)N1CCC[NH2+]CC1 ZINC000037365300 173154594 /nfs/dbraw/zinc/15/45/94/173154594.db2.gz SYZXHGMKHULKKJ-UHFFFAOYSA-N 1 1 262.441 2.888 10 0 CFAEMO C(CC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCCNCC1 ZINC000037365300 173154597 /nfs/dbraw/zinc/15/45/97/173154597.db2.gz SYZXHGMKHULKKJ-UHFFFAOYSA-N 1 1 262.441 2.888 10 0 CFAEMO C(CC12CC3CC(CC(C3)C1)C2)[N@H+]1CCCNCC1 ZINC000037365300 173154599 /nfs/dbraw/zinc/15/45/99/173154599.db2.gz SYZXHGMKHULKKJ-UHFFFAOYSA-N 1 1 262.441 2.888 10 0 CFAEMO COC(C[NH2+]Cc1csc(-c2ccc(F)cc2)n1)OC ZINC000037394894 173175181 /nfs/dbraw/zinc/17/51/81/173175181.db2.gz WPFOHOSPOUTTJR-UHFFFAOYSA-N 1 1 296.367 2.658 10 0 CFAEMO COc1ccc(CC[C@](C)(CN)[N@@H+](C)C(C)C)cc1 ZINC000037497424 173236543 /nfs/dbraw/zinc/23/65/43/173236543.db2.gz OTOANOQUWRIOAP-MRXNPFEDSA-N 1 1 264.413 2.685 10 0 CFAEMO COc1ccc(CC[C@](C)(C[NH3+])N(C)C(C)C)cc1 ZINC000037497424 173236544 /nfs/dbraw/zinc/23/65/44/173236544.db2.gz OTOANOQUWRIOAP-MRXNPFEDSA-N 1 1 264.413 2.685 10 0 CFAEMO CCn1cc(CN2CCC([NH3+])CC2)c2ccccc21 ZINC000037536394 173255245 /nfs/dbraw/zinc/25/52/45/173255245.db2.gz HCPBYDPFSSIRAT-UHFFFAOYSA-N 1 1 257.381 2.584 10 0 CFAEMO CC(C)[NH2+][C@H](C(N)=O)c1ccc(Cl)cc1Cl ZINC000037869416 173814500 /nfs/dbraw/zinc/81/45/00/173814500.db2.gz NPJGRQWNVXTTKW-JTQLQIEISA-N 1 1 261.152 2.518 10 0 CFAEMO COc1cc(C[N@H+]2CCc3c(N)cccc3C2)ccc1O ZINC000038032567 174029221 /nfs/dbraw/zinc/02/92/21/174029221.db2.gz OQLFGKVGNOMYIK-UHFFFAOYSA-N 1 1 284.359 2.541 10 0 CFAEMO CCN(CC)C(=O)[C@H](C)[NH2+]Cc1cc(Cl)ccc1OC ZINC000038051584 174062652 /nfs/dbraw/zinc/06/26/52/174062652.db2.gz RKUZCBNFQJDDJB-NSHDSACASA-N 1 1 298.814 2.695 10 0 CFAEMO CCN(CCSc1ccccc1)C1CC[NH2+]CC1 ZINC000038078697 174088666 /nfs/dbraw/zinc/08/86/66/174088666.db2.gz OEIATIMHGSPUEW-UHFFFAOYSA-N 1 1 264.438 2.853 10 0 CFAEMO C[C@H]([N@H+]1CCCNCC1)C12CC3CC(CC(C3)C1)C2 ZINC000038087007 174098748 /nfs/dbraw/zinc/09/87/48/174098748.db2.gz ZQIAAQJOHFNLLL-SIGVMEELSA-N 1 1 262.441 2.887 10 0 CFAEMO C[C@H](N1CCC[NH2+]CC1)C12CC3CC(CC(C3)C1)C2 ZINC000038087007 174098750 /nfs/dbraw/zinc/09/87/50/174098750.db2.gz ZQIAAQJOHFNLLL-SIGVMEELSA-N 1 1 262.441 2.887 10 0 CFAEMO CCN1CCC([NH2+][C@H](C)c2scnc2C)CC1 ZINC000038098220 174113683 /nfs/dbraw/zinc/11/36/83/174113683.db2.gz CDDLZJMRDJZTSU-LLVKDONJSA-N 1 1 253.415 2.586 10 0 CFAEMO OC[C@H]([NH2+]Cc1cccs1)c1ccccc1F ZINC000038123871 174129905 /nfs/dbraw/zinc/12/99/05/174129905.db2.gz QXFFATUUPBMSNC-ZDUSSCGKSA-N 1 1 251.326 2.710 10 0 CFAEMO CCCOc1ccc([C@H](CN)[NH+](CC)CC)cc1 ZINC000039789131 174173828 /nfs/dbraw/zinc/17/38/28/174173828.db2.gz HJOWGNJMVVVHIY-HNNXBMFYSA-N 1 1 250.386 2.817 10 0 CFAEMO O[C@@H](Cc1[nH]cc[nH+]1)c1ccc(Cl)c(Cl)c1 ZINC000040261380 174217033 /nfs/dbraw/zinc/21/70/33/174217033.db2.gz QLZYTQGYHJUQGO-JTQLQIEISA-N 1 1 257.120 2.993 10 0 CFAEMO O[C@@H](Cc1[nH]cc[nH+]1)c1cc(F)ccc1Br ZINC000040261330 174217192 /nfs/dbraw/zinc/21/71/92/174217192.db2.gz VHVASQKQFTWPDQ-JTQLQIEISA-N 1 1 285.116 2.587 10 0 CFAEMO O[C@@H](Cc1[nH]cc[nH+]1)c1cccc(Cl)c1Cl ZINC000040261480 174217466 /nfs/dbraw/zinc/21/74/66/174217466.db2.gz FLPNWQLVVWRQEW-VIFPVBQESA-N 1 1 257.120 2.993 10 0 CFAEMO C[C@H]1CCCC[N@H+]1CCCNc1cc(Cl)ncn1 ZINC000040432007 174260391 /nfs/dbraw/zinc/26/03/91/174260391.db2.gz RQJKFSPPQKEDEY-NSHDSACASA-N 1 1 268.792 2.806 10 0 CFAEMO CC[N@@H+]1CCC[C@@H](NCc2ccc(Br)o2)C1 ZINC000040502114 174298457 /nfs/dbraw/zinc/29/84/57/174298457.db2.gz QGWWDMMZQUVUSL-SNVBAGLBSA-N 1 1 287.201 2.616 10 0 CFAEMO CC[N@H+]1CCC[C@@H](NCc2ccc(Br)o2)C1 ZINC000040502114 174298458 /nfs/dbraw/zinc/29/84/58/174298458.db2.gz QGWWDMMZQUVUSL-SNVBAGLBSA-N 1 1 287.201 2.616 10 0 CFAEMO CC[N@@H+]1CCC[C@H](NCc2cc(F)ccc2F)C1 ZINC000040502635 174298612 /nfs/dbraw/zinc/29/86/12/174298612.db2.gz KWYNQXUVFBUAOA-ZDUSSCGKSA-N 1 1 254.324 2.539 10 0 CFAEMO CC[N@H+]1CCC[C@H](NCc2cc(F)ccc2F)C1 ZINC000040502635 174298614 /nfs/dbraw/zinc/29/86/14/174298614.db2.gz KWYNQXUVFBUAOA-ZDUSSCGKSA-N 1 1 254.324 2.539 10 0 CFAEMO CC[N@@H+]1CCC[C@H](NCc2cc3ccccc3[nH]c2=O)C1 ZINC000040502559 174298781 /nfs/dbraw/zinc/29/87/81/174298781.db2.gz APKVRRPNXPWQLW-HNNXBMFYSA-N 1 1 285.391 2.514 10 0 CFAEMO CC[N@H+]1CCC[C@H](NCc2cc3ccccc3[nH]c2=O)C1 ZINC000040502559 174298783 /nfs/dbraw/zinc/29/87/83/174298783.db2.gz APKVRRPNXPWQLW-HNNXBMFYSA-N 1 1 285.391 2.514 10 0 CFAEMO CC[N@@H+]1CCC[C@H](N[C@@H](C)c2nc3ccccc3n2C)C1 ZINC000040502333 174299420 /nfs/dbraw/zinc/29/94/20/174299420.db2.gz GQRALZNUYPDVJQ-KBPBESRZSA-N 1 1 286.423 2.708 10 0 CFAEMO CC[N@H+]1CCC[C@H](N[C@@H](C)c2nc3ccccc3n2C)C1 ZINC000040502333 174299422 /nfs/dbraw/zinc/29/94/22/174299422.db2.gz GQRALZNUYPDVJQ-KBPBESRZSA-N 1 1 286.423 2.708 10 0 CFAEMO CC[N@H+]1CCC[C@@H](Nc2ncccc2C(F)(F)F)C1 ZINC000040503256 174299841 /nfs/dbraw/zinc/29/98/41/174299841.db2.gz VHSPPFSNRLRZKE-SNVBAGLBSA-N 1 1 273.302 2.997 10 0 CFAEMO C[NH2+]C[C@@H]1CCCN(Cc2cn(C)c3ccccc23)C1 ZINC000040593374 174347768 /nfs/dbraw/zinc/34/77/68/174347768.db2.gz NBKSEAQCEPNLDN-AWEZNQCLSA-N 1 1 271.408 2.610 10 0 CFAEMO Cc1ncsc1[C@H](C)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000040623444 174355669 /nfs/dbraw/zinc/35/56/69/174355669.db2.gz AMDMFDDXZLTGTQ-WCQYABFASA-N 1 1 267.442 2.832 10 0 CFAEMO CC[NH+](CC)CCNCc1cccc(OC(C)C)c1 ZINC000040640012 174364025 /nfs/dbraw/zinc/36/40/25/174364025.db2.gz CEIXYJQDXFGTBC-UHFFFAOYSA-N 1 1 264.413 2.905 10 0 CFAEMO CC(C)Oc1cccc([C@H](CN)[N@@H+]2CCC[C@@H]2C)c1 ZINC000040641323 174364369 /nfs/dbraw/zinc/36/43/69/174364369.db2.gz ZPZZJGFPIXRXBK-BBRMVZONSA-N 1 1 262.397 2.958 10 0 CFAEMO CC(C)Oc1cccc([C@H](CN)[N@H+]2CCC[C@@H]2C)c1 ZINC000040641323 174364370 /nfs/dbraw/zinc/36/43/70/174364370.db2.gz ZPZZJGFPIXRXBK-BBRMVZONSA-N 1 1 262.397 2.958 10 0 CFAEMO Cc1sc2ncnc(N[C@H]3CCC[N@H+](C)C3)c2c1C ZINC000040673572 174372180 /nfs/dbraw/zinc/37/21/80/174372180.db2.gz RDTSNIZKOGFPGO-NSHDSACASA-N 1 1 276.409 2.814 10 0 CFAEMO CC(C)Nc1[nH+]cnc(NCc2ccc(F)cc2)c1N ZINC000040708322 174380280 /nfs/dbraw/zinc/38/02/80/174380280.db2.gz AYACTUJYOFYERF-UHFFFAOYSA-N 1 1 275.331 2.630 10 0 CFAEMO CC(C)Nc1nc[nH+]c(NCc2ccc(F)cc2)c1N ZINC000040708322 174380281 /nfs/dbraw/zinc/38/02/81/174380281.db2.gz AYACTUJYOFYERF-UHFFFAOYSA-N 1 1 275.331 2.630 10 0 CFAEMO Cc1ccc(N)cc1NC(=O)CCC[N@@H+]1CC[C@@H](C)C1 ZINC000040716853 174384612 /nfs/dbraw/zinc/38/46/12/174384612.db2.gz YEQWRFFVXJUQKM-GFCCVEGCSA-N 1 1 275.396 2.638 10 0 CFAEMO CSc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040749401 174393585 /nfs/dbraw/zinc/39/35/85/174393585.db2.gz UROBOVLAYXYPHA-AGUYFDCRSA-N 1 1 262.422 2.863 10 0 CFAEMO CSc1ccc(CN2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040749401 174393586 /nfs/dbraw/zinc/39/35/86/174393586.db2.gz UROBOVLAYXYPHA-AGUYFDCRSA-N 1 1 262.422 2.863 10 0 CFAEMO C[C@@H](CCc1ccc(O)cc1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749146 174393924 /nfs/dbraw/zinc/39/39/24/174393924.db2.gz WIYFDZSSRPRVRS-WWTUQBGBSA-N 1 1 274.408 2.667 10 0 CFAEMO Cc1nc([C@@H]([NH3+])c2cnn(-c3ccccc3)c2)sc1C ZINC000041182459 174505596 /nfs/dbraw/zinc/50/55/96/174505596.db2.gz MWSXEVLSJNHBQX-AWEZNQCLSA-N 1 1 284.388 2.994 10 0 CFAEMO COc1ccc(C(C)C)cc1[C@H](C)[C@@H](CN)[NH+](C)C ZINC000041379403 174538190 /nfs/dbraw/zinc/53/81/90/174538190.db2.gz RSCSAZBOLGTWNO-SWLSCSKDSA-N 1 1 264.413 2.811 10 0 CFAEMO Cc1cccc([C@@H](CN)[N@@H+]2CCCSCC2)c1C ZINC000043314797 175004805 /nfs/dbraw/zinc/00/48/05/175004805.db2.gz XPHADPZYLFEJEO-OAHLLOKOSA-N 1 1 264.438 2.742 10 0 CFAEMO Cc1cccc([C@@H](CN)[N@H+]2CCCSCC2)c1C ZINC000043314797 175004807 /nfs/dbraw/zinc/00/48/07/175004807.db2.gz XPHADPZYLFEJEO-OAHLLOKOSA-N 1 1 264.438 2.742 10 0 CFAEMO Cc1cccc([C@@H]([NH2+]Cc2cccs2)C(N)=O)c1C ZINC000043315323 175004930 /nfs/dbraw/zinc/00/49/30/175004930.db2.gz CWIBNVLMZWFEPZ-CQSZACIVSA-N 1 1 274.389 2.681 10 0 CFAEMO C[C@H](Cc1cccc(Cl)c1)N[C@H]1CCC[NH2+]C1 ZINC000043326318 175007503 /nfs/dbraw/zinc/00/75/03/175007503.db2.gz IQCOCKJJEIALAR-RISCZKNCSA-N 1 1 252.789 2.613 10 0 CFAEMO C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1CCCNC1 ZINC000043325855 175007660 /nfs/dbraw/zinc/00/76/60/175007660.db2.gz CYHHSSSCEAMPLG-YPMHNXCESA-N 1 1 252.789 2.613 10 0 CFAEMO CC[C@H](N)[C@H](c1ccccn1)[N@H+](CC1CC1)C(C)C ZINC000043340966 175015051 /nfs/dbraw/zinc/01/50/51/175015051.db2.gz VUCKBZIXOPIQLX-GOEBONIOSA-N 1 1 261.413 2.980 10 0 CFAEMO CC[C@H](N)[C@H](c1ccccn1)[N@@H+](CC1CC1)C(C)C ZINC000043340966 175015053 /nfs/dbraw/zinc/01/50/53/175015053.db2.gz VUCKBZIXOPIQLX-GOEBONIOSA-N 1 1 261.413 2.980 10 0 CFAEMO CCC(CC)[N@H+](CCOC)[C@@H](c1cccnc1)[C@@H](C)N ZINC000043348479 175018306 /nfs/dbraw/zinc/01/83/06/175018306.db2.gz MHOKCEMDCYQRJB-CZUORRHYSA-N 1 1 279.428 2.607 10 0 CFAEMO CCC(CC)[N@@H+](CCOC)[C@@H](c1cccnc1)[C@@H](C)N ZINC000043348479 175018307 /nfs/dbraw/zinc/01/83/07/175018307.db2.gz MHOKCEMDCYQRJB-CZUORRHYSA-N 1 1 279.428 2.607 10 0 CFAEMO CC(C)[C@@H]([NH3+])c1nc(-c2cc(F)cc(F)c2)no1 ZINC000043387471 175032869 /nfs/dbraw/zinc/03/28/69/175032869.db2.gz ZNOIZCOTLIZHIX-SNVBAGLBSA-N 1 1 253.252 2.671 10 0 CFAEMO Cc1c(N)cccc1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000043424014 175040059 /nfs/dbraw/zinc/04/00/59/175040059.db2.gz XGIIYJMENHPKPM-JKSUJKDBSA-N 1 1 260.381 2.721 10 0 CFAEMO CC(C)[C@H](CNCc1ccc(O)c(Cl)c1)[NH+](C)C ZINC000043477246 175054397 /nfs/dbraw/zinc/05/43/97/175054397.db2.gz CAKQDYUGWRXSEA-ZDUSSCGKSA-N 1 1 270.804 2.721 10 0 CFAEMO CC[N@@H+](C[C@@H](O)c1ccc(C)c(C)c1)[C@@H](C)COC ZINC000043560085 175066471 /nfs/dbraw/zinc/06/64/71/175066471.db2.gz IOKSDNRITYYQDP-GOEBONIOSA-N 1 1 265.397 2.694 10 0 CFAEMO Cc1cccnc1-c1noc([C@@H]([NH3+])Cc2ccccc2)n1 ZINC000043616133 175079921 /nfs/dbraw/zinc/07/99/21/175079921.db2.gz GVXFVYGCJUOCSH-ZDUSSCGKSA-N 1 1 280.331 2.683 10 0 CFAEMO CC[NH2+][C@H](c1ccccc1)[C@@H](CC)N1CCN(CC)CC1 ZINC000043806107 175108132 /nfs/dbraw/zinc/10/81/32/175108132.db2.gz NGIZCAHXXSJKNE-QZTJIDSGSA-N 1 1 289.467 2.753 10 0 CFAEMO CCN1CCN(C[C@H]([NH2+]C)c2ccc(C(C)C)cc2)CC1 ZINC000043805889 175108155 /nfs/dbraw/zinc/10/81/55/175108155.db2.gz ZNOOSBIPDOWSBF-SFHVURJKSA-N 1 1 289.467 2.708 10 0 CFAEMO CN[C@@H]1c2ccccc2CC[C@@H]1[NH+]1CCC(C)CC1 ZINC000043806546 175108368 /nfs/dbraw/zinc/10/83/68/175108368.db2.gz SXUBIDIDBZGCBS-DLBZAZTESA-N 1 1 258.409 2.994 10 0 CFAEMO CN[C@H]1c2ccccc2CC[C@H]1[NH+]1CCC(C)CC1 ZINC000043806542 175108582 /nfs/dbraw/zinc/10/85/82/175108582.db2.gz SXUBIDIDBZGCBS-SJORKVTESA-N 1 1 258.409 2.994 10 0 CFAEMO CCOc1ccc([C@@H](C[NH+](CC)CC)NC)cc1 ZINC000043808969 175109485 /nfs/dbraw/zinc/10/94/85/175109485.db2.gz JJGTYQOZAGYPIF-OAHLLOKOSA-N 1 1 250.386 2.688 10 0 CFAEMO CCC[NH2+][C@H](CN1CCN(C)CC1)c1ccc(CC)cc1 ZINC000043811057 175110037 /nfs/dbraw/zinc/11/00/37/175110037.db2.gz IUBAWAGSHAGQQF-GOSISDBHSA-N 1 1 289.467 2.537 10 0 CFAEMO CCC[NH2+][C@@H]1CC[C@@H](C(C)(C)C)C[C@@H]1N1CCN(C)CC1 ZINC000043810988 175110342 /nfs/dbraw/zinc/11/03/42/175110342.db2.gz YIBAYRGRAQQFQK-ZACQAIPSSA-N 1 1 295.515 2.817 10 0 CFAEMO CCN[C@@H](C[NH+]1CCCCCC1)c1ccc2c(c1)OCO2 ZINC000043812195 175110642 /nfs/dbraw/zinc/11/06/42/175110642.db2.gz KBHQVGUQLVHIHQ-HNNXBMFYSA-N 1 1 290.407 2.942 10 0 CFAEMO CCC[N@H+](C[C@@H](NC)c1cc(OC)ccc1OC)C1CC1 ZINC000043885402 175116901 /nfs/dbraw/zinc/11/69/01/175116901.db2.gz RCRVDENQFRSZOL-MRXNPFEDSA-N 1 1 292.423 2.839 10 0 CFAEMO CCC[N@@H+](C[C@@H](NC)c1cc(OC)ccc1OC)C1CC1 ZINC000043885402 175116902 /nfs/dbraw/zinc/11/69/02/175116902.db2.gz RCRVDENQFRSZOL-MRXNPFEDSA-N 1 1 292.423 2.839 10 0 CFAEMO CCN[C@@H](C[N@H+](C)C1CCCC1)c1ccc2c(c1)OCO2 ZINC000043883982 175117075 /nfs/dbraw/zinc/11/70/75/175117075.db2.gz COPITITUHQOIMU-HNNXBMFYSA-N 1 1 290.407 2.940 10 0 CFAEMO CCN[C@@H](C[N@@H+](C)C1CCCC1)c1ccc2c(c1)OCO2 ZINC000043883982 175117076 /nfs/dbraw/zinc/11/70/76/175117076.db2.gz COPITITUHQOIMU-HNNXBMFYSA-N 1 1 290.407 2.940 10 0 CFAEMO CCC[N@H+](C)C[C@@H](NC)c1cc(C)ccc1OC ZINC000043885943 175117202 /nfs/dbraw/zinc/11/72/02/175117202.db2.gz VWJPDNWTDSANJK-CQSZACIVSA-N 1 1 250.386 2.606 10 0 CFAEMO CCC[N@@H+](C)C[C@@H](NC)c1cc(C)ccc1OC ZINC000043885943 175117203 /nfs/dbraw/zinc/11/72/03/175117203.db2.gz VWJPDNWTDSANJK-CQSZACIVSA-N 1 1 250.386 2.606 10 0 CFAEMO CCC[NH2+][C@H]1CCC2(C[C@H]1N(CC)[C@@H](C)CC)OCCO2 ZINC000043888997 175117361 /nfs/dbraw/zinc/11/73/61/175117361.db2.gz VQZHMAUTSGPQDZ-HRCADAONSA-N 1 1 298.471 2.771 10 0 CFAEMO CC[C@@H]([C@H](NC)c1ccccc1)[NH+]1CCC(OC)CC1 ZINC000043890075 175117499 /nfs/dbraw/zinc/11/74/99/175117499.db2.gz GAXAIUXWRRISIT-DLBZAZTESA-N 1 1 276.424 2.837 10 0 CFAEMO CC[N@@H+](CC(C)C)C[C@H](NC)c1cc(OC)ccc1OC ZINC000043887929 175117779 /nfs/dbraw/zinc/11/77/79/175117779.db2.gz SZHUZXZGOXTPRO-INIZCTEOSA-N 1 1 294.439 2.942 10 0 CFAEMO CCN(CC(C)C)C[C@H]([NH2+]C)c1cc(OC)ccc1OC ZINC000043887929 175117780 /nfs/dbraw/zinc/11/77/80/175117780.db2.gz SZHUZXZGOXTPRO-INIZCTEOSA-N 1 1 294.439 2.942 10 0 CFAEMO CN[C@@H](C[N@@H+](C)[C@@H](C)C(C)C)c1cc(OC)ccc1OC ZINC000043895337 175119177 /nfs/dbraw/zinc/11/91/77/175119177.db2.gz PPVDXFKRAXSHRT-BBRMVZONSA-N 1 1 294.439 2.941 10 0 CFAEMO C[NH2+][C@@H](CN(C)[C@@H](C)C(C)C)c1cc(OC)ccc1OC ZINC000043895337 175119178 /nfs/dbraw/zinc/11/91/78/175119178.db2.gz PPVDXFKRAXSHRT-BBRMVZONSA-N 1 1 294.439 2.941 10 0 CFAEMO CN[C@H](C[N@@H+](C)[C@@H](C)C1CC1)c1cc(C)ccc1OC ZINC000043894775 175119221 /nfs/dbraw/zinc/11/92/21/175119221.db2.gz SIAIPJOVXUIUKC-XJKSGUPXSA-N 1 1 276.424 2.994 10 0 CFAEMO C[NH2+][C@H](CN(C)[C@@H](C)C1CC1)c1cc(C)ccc1OC ZINC000043894775 175119222 /nfs/dbraw/zinc/11/92/22/175119222.db2.gz SIAIPJOVXUIUKC-XJKSGUPXSA-N 1 1 276.424 2.994 10 0 CFAEMO CN[C@@H](C[N@H+](C)C1CCOCC1)c1cc(C)ccc1C ZINC000043898216 175120952 /nfs/dbraw/zinc/12/09/52/175120952.db2.gz WHOXJWXUYNTRDK-KRWDZBQOSA-N 1 1 276.424 2.675 10 0 CFAEMO 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/nfs/dbraw/zinc/15/82/97/175158297.db2.gz DLTXHVQFVCOJAO-JTQLQIEISA-N 1 1 273.302 2.854 10 0 CFAEMO CCCN1CCN([C@H](c2ccccc2F)[C@@H]([NH3+])CC)CC1 ZINC000044418475 175173294 /nfs/dbraw/zinc/17/32/94/175173294.db2.gz KTECKOSBPMIULR-DLBZAZTESA-N 1 1 293.430 2.632 10 0 CFAEMO C[N@H+]1CCC[C@@H](CNc2ccc(N)c3ncccc23)C1 ZINC000044535633 175198716 /nfs/dbraw/zinc/19/87/16/175198716.db2.gz OXYFEIYUTOCINX-LBPRGKRZSA-N 1 1 270.380 2.571 10 0 CFAEMO C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1c(F)cccc1F ZINC000044535391 175198927 /nfs/dbraw/zinc/19/89/27/175198927.db2.gz QWNSFZWAKWIPMZ-NWDGAFQWSA-N 1 1 268.351 2.957 10 0 CFAEMO C[C@H](CCc1ccc2c(c1)OCO2)[N@@H+]1CCCC[C@@H]1CN ZINC000044539603 175200567 /nfs/dbraw/zinc/20/05/67/175200567.db2.gz NCUTXLNOVZNETL-UKRRQHHQSA-N 1 1 290.407 2.550 10 0 CFAEMO C[C@H](CCc1ccc2c(c1)OCO2)[N@H+]1CCCC[C@@H]1CN ZINC000044539603 175200568 /nfs/dbraw/zinc/20/05/68/175200568.db2.gz NCUTXLNOVZNETL-UKRRQHHQSA-N 1 1 290.407 2.550 10 0 CFAEMO COc1ccc(C)cc1CNC[C@H]1CCCC[N@@H+]1C ZINC000044561216 175205204 /nfs/dbraw/zinc/20/52/04/175205204.db2.gz KBVQEOZKHMKEIJ-OAHLLOKOSA-N 1 1 262.397 2.578 10 0 CFAEMO COc1ccc(C)cc1CNC[C@H]1CCCC[N@H+]1C ZINC000044561216 175205205 /nfs/dbraw/zinc/20/52/05/175205205.db2.gz KBVQEOZKHMKEIJ-OAHLLOKOSA-N 1 1 262.397 2.578 10 0 CFAEMO C[N@H+]1CCCC[C@@H]1CNCc1c(F)cccc1F ZINC000044561945 175205569 /nfs/dbraw/zinc/20/55/69/175205569.db2.gz ATIQZHAQORXZOC-LLVKDONJSA-N 1 1 254.324 2.539 10 0 CFAEMO CN1CCCC[C@@H]1C[NH2+]Cc1c(F)cccc1F ZINC000044561945 175205571 /nfs/dbraw/zinc/20/55/71/175205571.db2.gz ATIQZHAQORXZOC-LLVKDONJSA-N 1 1 254.324 2.539 10 0 CFAEMO C[N@H+]1CCCC[C@H]1CNc1ccc(Cl)cc1N ZINC000044563532 175206292 /nfs/dbraw/zinc/20/62/92/175206292.db2.gz RAHNCCMDDZHGDR-NSHDSACASA-N 1 1 253.777 2.818 10 0 CFAEMO Fc1cccc2[nH]c([C@@H]3[NH2+]CCc4sccc43)nc21 ZINC000044592885 175213952 /nfs/dbraw/zinc/21/39/52/175213952.db2.gz STEKEYGDRCCSNV-GFCCVEGCSA-N 1 1 273.336 2.999 10 0 CFAEMO CC[NH2+][C@@H]1CCN([C@@H]2C[C@@H]2c2ccccc2)C[C@@H]1C ZINC000044677457 175227572 /nfs/dbraw/zinc/22/75/72/175227572.db2.gz YNZSIJXXRKKPMO-RKTXRCNFSA-N 1 1 258.409 2.862 10 0 CFAEMO C[C@@H](CCN(C)C)[NH2+][C@H]1CCCc2cc(O)ccc21 ZINC000044747570 175243124 /nfs/dbraw/zinc/24/31/24/175243124.db2.gz ZCUYKNZDTHHESG-LRDDRELGSA-N 1 1 262.397 2.699 10 0 CFAEMO Cc1cc(N)ccc1C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000044748206 175243550 /nfs/dbraw/zinc/24/35/50/175243550.db2.gz QCPNBPNUUJYKJN-AWEZNQCLSA-N 1 1 289.423 2.572 10 0 CFAEMO Nc1cccc(NC(=O)C[N@H+]2CCC[C@@H]2C2CCCC2)c1 ZINC000045066485 175299478 /nfs/dbraw/zinc/29/94/78/175299478.db2.gz LWBSOHGGMLOBMF-MRXNPFEDSA-N 1 1 287.407 2.862 10 0 CFAEMO C[N@@H+](CCC(=O)Nc1ccc(F)cc1N)CC(C)(C)C ZINC000045064610 175299714 /nfs/dbraw/zinc/29/97/14/175299714.db2.gz BUFOOJPXWRYUAS-UHFFFAOYSA-N 1 1 281.375 2.714 10 0 CFAEMO CC[C@H](N)[C@@H](c1cnn(C)c1)[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045067062 175300181 /nfs/dbraw/zinc/30/01/81/175300181.db2.gz ZUCAUGAONHWLKF-GVDBMIGSSA-N 1 1 290.455 2.853 10 0 CFAEMO CC[C@H]([NH3+])[C@@H](c1cnn(C)c1)N1CCC[C@@H]1C1CCCC1 ZINC000045067062 175300187 /nfs/dbraw/zinc/30/01/87/175300187.db2.gz ZUCAUGAONHWLKF-GVDBMIGSSA-N 1 1 290.455 2.853 10 0 CFAEMO NC(=O)c1ccc(C[N@H+]2CCC[C@H]2C2CCCC2)c(N)c1 ZINC000045066931 175300194 /nfs/dbraw/zinc/30/01/94/175300194.db2.gz HKXLRWKNBWSLDC-INIZCTEOSA-N 1 1 287.407 2.522 10 0 CFAEMO C[N@H+](CC(C)(C)C)[C@H](CN)c1ccc2c(c1)OCCCO2 ZINC000045070046 175300938 /nfs/dbraw/zinc/30/09/38/175300938.db2.gz GRBBCGZGZOUOBP-CQSZACIVSA-N 1 1 292.423 2.826 10 0 CFAEMO C[N@@H+](CC(C)(C)C)[C@H](CN)c1ccc2c(c1)OCCCO2 ZINC000045070046 175300940 /nfs/dbraw/zinc/30/09/40/175300940.db2.gz GRBBCGZGZOUOBP-CQSZACIVSA-N 1 1 292.423 2.826 10 0 CFAEMO COc1ccccc1[C@@H](N)C[N@@H+](C)CC(C)(C)C ZINC000045072680 175301836 /nfs/dbraw/zinc/30/18/36/175301836.db2.gz OONLNYMNCROVNN-ZDUSSCGKSA-N 1 1 250.386 2.673 10 0 CFAEMO COc1ccccc1[C@@H]([NH3+])CN(C)CC(C)(C)C ZINC000045072680 175301837 /nfs/dbraw/zinc/30/18/37/175301837.db2.gz OONLNYMNCROVNN-ZDUSSCGKSA-N 1 1 250.386 2.673 10 0 CFAEMO CN[C@H](C[N@H+](C)CC(C)(C)C)c1ccccc1OC ZINC000045072374 175301848 /nfs/dbraw/zinc/30/18/48/175301848.db2.gz PQXWYJZZRJRMGO-CQSZACIVSA-N 1 1 264.413 2.934 10 0 CFAEMO CN[C@H](C[N@@H+](C)CC(C)(C)C)c1ccccc1OC ZINC000045072374 175301850 /nfs/dbraw/zinc/30/18/50/175301850.db2.gz PQXWYJZZRJRMGO-CQSZACIVSA-N 1 1 264.413 2.934 10 0 CFAEMO C[N@@H+](CC(=O)Cc1ccc(F)cc1)CC(C)(C)C ZINC000045084723 175303786 /nfs/dbraw/zinc/30/37/86/175303786.db2.gz VUOLOLXGXWRWRL-UHFFFAOYSA-N 1 1 251.345 2.915 10 0 CFAEMO C[N@@H+](C[C@H](O)c1ccc2c(c1)OCCCO2)CC(C)(C)C ZINC000045087165 175304279 /nfs/dbraw/zinc/30/42/79/175304279.db2.gz RBGCGAQUJQKHHU-AWEZNQCLSA-N 1 1 293.407 2.859 10 0 CFAEMO CCC[N@@H+](CC(N)=S)Cc1cc(Cl)ccc1OC ZINC000045093439 175306689 /nfs/dbraw/zinc/30/66/89/175306689.db2.gz WSIICMIRTDJZIQ-UHFFFAOYSA-N 1 1 286.828 2.847 10 0 CFAEMO Cc1c(C)n(CCOCCC(C)C)c2nc[nH+]c(N)c12 ZINC000045109065 175308634 /nfs/dbraw/zinc/30/86/34/175308634.db2.gz DYILIITWIDVCGP-UHFFFAOYSA-N 1 1 276.384 2.693 10 0 CFAEMO CC[C@H]1CCN(CCOCCC(C)C)CCC[NH2+]1 ZINC000045109357 175309207 /nfs/dbraw/zinc/30/92/07/175309207.db2.gz UXFGXXSPCORHPY-HNNXBMFYSA-N 1 1 256.434 2.513 10 0 CFAEMO CC[C@@H]1CCN(CCOCCC(C)C)CCC[NH2+]1 ZINC000045109356 175309536 /nfs/dbraw/zinc/30/95/36/175309536.db2.gz UXFGXXSPCORHPY-OAHLLOKOSA-N 1 1 256.434 2.513 10 0 CFAEMO Cn1cc[nH+]c1CCNc1ccc(N)cc1C(F)(F)F ZINC000045118284 175311470 /nfs/dbraw/zinc/31/14/70/175311470.db2.gz JFYQKHPOLWTQMI-UHFFFAOYSA-N 1 1 284.285 2.676 10 0 CFAEMO Cc1nc2cc(NCCc3[nH+]ccn3C)c(N)cc2s1 ZINC000045118485 175311525 /nfs/dbraw/zinc/31/15/25/175311525.db2.gz VWNVEDSQJIPJRJ-UHFFFAOYSA-N 1 1 287.392 2.575 10 0 CFAEMO CC(C)[N@H+]1CC[C@H](CNc2ccc(N)c3cnccc23)C1 ZINC000045118653 175311551 /nfs/dbraw/zinc/31/15/51/175311551.db2.gz KPOVKVYVWRDXQJ-CYBMUJFWSA-N 1 1 284.407 2.959 10 0 CFAEMO Cc1csc(C[NH2+][C@H](C)c2c(C)nn(C)c2C)n1 ZINC000045172023 175321554 /nfs/dbraw/zinc/32/15/54/175321554.db2.gz OGGAJCSJMSSCHE-SECBINFHSA-N 1 1 264.398 2.653 10 0 CFAEMO CCCN[C@](C)(CC[N@H+]1CCC[C@@H]1CC)C(=O)OCC ZINC000045221322 175330342 /nfs/dbraw/zinc/33/03/42/175330342.db2.gz JZTQPGYTHMPPPZ-GOEBONIOSA-N 1 1 284.444 2.572 10 0 CFAEMO CCCC[N@@H+](CC)CC[C@@](C)(NCCC)C(=O)OCC ZINC000045223409 175331459 /nfs/dbraw/zinc/33/14/59/175331459.db2.gz LQIUQBDGQDGPDD-MRXNPFEDSA-N 1 1 286.460 2.820 10 0 CFAEMO CCN[C@](C)(CC[N@@H+](CC)C1CCCCC1)C(=O)OC ZINC000045224144 175331836 /nfs/dbraw/zinc/33/18/36/175331836.db2.gz YEESITCGDQRYTR-MRXNPFEDSA-N 1 1 284.444 2.572 10 0 CFAEMO CCCN[C@](C)(CC[N@H+]1CCCC[C@@H]1C)C(=O)OCC ZINC000045227107 175333394 /nfs/dbraw/zinc/33/33/94/175333394.db2.gz LHGJFINWWAGWMN-GOEBONIOSA-N 1 1 284.444 2.572 10 0 CFAEMO CCCN[C@](C)(CC[N@@H+](CC)CC(C)C)C(=O)OCC ZINC000045264223 175337876 /nfs/dbraw/zinc/33/78/76/175337876.db2.gz CTCXNQKXTHEKLA-MRXNPFEDSA-N 1 1 286.460 2.676 10 0 CFAEMO CCC[N@@H+](CC[C@@](C)(NC(C)C)C(=O)OCC)C(C)C ZINC000045266970 175339282 /nfs/dbraw/zinc/33/92/82/175339282.db2.gz RZQUPRWANUELHC-MRXNPFEDSA-N 1 1 286.460 2.817 10 0 CFAEMO CCOC(=O)[C@](C)(CC[N@H+]1CCCC[C@@H]1CC)NC(C)C ZINC000045266004 175339298 /nfs/dbraw/zinc/33/92/98/175339298.db2.gz JFPFERVDMRFCNS-RDJZCZTQSA-N 1 1 298.471 2.961 10 0 CFAEMO CCCN[C@](C)(C[N@@H+](CC)C1CCCC1)C(=O)OCC ZINC000045269230 175340403 /nfs/dbraw/zinc/34/04/03/175340403.db2.gz VUXIBNIJTNEFLT-MRXNPFEDSA-N 1 1 284.444 2.572 10 0 CFAEMO CCCN[C@@](C)(C[N@@H+](CC)C1CCCC1)C(=O)OCC ZINC000045269228 175340509 /nfs/dbraw/zinc/34/05/09/175340509.db2.gz VUXIBNIJTNEFLT-INIZCTEOSA-N 1 1 284.444 2.572 10 0 CFAEMO CC(C)[NH2+][C@@](C)(CC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)[O-] ZINC000045272125 175342911 /nfs/dbraw/zinc/34/29/11/175342911.db2.gz CCQAOLTVQKGCGH-UXLLHSPISA-N 1 1 296.455 2.730 10 0 CFAEMO CCCN[C@](C)(CC[N@@H+](CC(C)C)C1CC1)C(=O)OCC ZINC000045277570 175347590 /nfs/dbraw/zinc/34/75/90/175347590.db2.gz ZRWVHOGNOHIYET-QGZVFWFLSA-N 1 1 298.471 2.818 10 0 CFAEMO CCC[NH2+][C@@](C)(CC[N@@H+](CC)CC(CC)CC)C(=O)[O-] ZINC000045277821 175348385 /nfs/dbraw/zinc/34/83/85/175348385.db2.gz VAOKERKFMSKTEB-INIZCTEOSA-N 1 1 286.460 2.978 10 0 CFAEMO CCC(CC)C[N@@H+](CC)CC[C@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045277824 175348391 /nfs/dbraw/zinc/34/83/91/175348391.db2.gz SFHTWGFVSRXATB-INIZCTEOSA-N 1 1 286.460 2.976 10 0 CFAEMO CCCCC[N@@H+](C[C@@](C)(NC1CC1)C(=O)OC)C(C)C ZINC000045278590 175348673 /nfs/dbraw/zinc/34/86/73/175348673.db2.gz BQVMSGJGXBDIKR-MRXNPFEDSA-N 1 1 284.444 2.571 10 0 CFAEMO CCC[NH2+][C@@](C)(CC[N@@H+](CC(C)C)C(C)C)C(=O)[O-] ZINC000045280735 175350801 /nfs/dbraw/zinc/35/08/01/175350801.db2.gz ZLMKLUHRRMADAG-HNNXBMFYSA-N 1 1 272.433 2.586 10 0 CFAEMO CCC1CCC([N@@H+](C)CC[C@](C)([NH2+]C2CC2)C(=O)[O-])CC1 ZINC000045281135 175351914 /nfs/dbraw/zinc/35/19/14/175351914.db2.gz XLXVSDVFHCCIKI-PGEKIEPBSA-N 1 1 296.455 2.872 10 0 CFAEMO CCN[C@@](C)(C[N@@H+](C)C1CCC(CC)CC1)C(=O)OCC ZINC000045281105 175351928 /nfs/dbraw/zinc/35/19/28/175351928.db2.gz SGCCVYBGMIMFAU-DQPZFDDXSA-N 1 1 298.471 2.818 10 0 CFAEMO CCCC[N@@H+](C)CCCC[C@](C)(NCC)C(=O)OCC ZINC000045368235 175362861 /nfs/dbraw/zinc/36/28/61/175362861.db2.gz OMYHIQYLCJZNDI-INIZCTEOSA-N 1 1 286.460 2.820 10 0 CFAEMO CCCN[C@@](C)(CCC[N@H+]1CCC[C@@H]1CC)C(=O)OC ZINC000045367527 175363022 /nfs/dbraw/zinc/36/30/22/175363022.db2.gz QAXKZAKSMARTOT-HOCLYGCPSA-N 1 1 284.444 2.572 10 0 CFAEMO CCOC(=O)[C@](C)(CCC[N@H+]1CCC[C@@H]1CC)NC(C)C ZINC000045367554 175363035 /nfs/dbraw/zinc/36/30/35/175363035.db2.gz YPLUTRHIHKXWFW-RDJZCZTQSA-N 1 1 298.471 2.961 10 0 CFAEMO CCCC[N@@H+](CC)CCCC[C@@](C)(NCC)C(=O)OC ZINC000045370490 175364006 /nfs/dbraw/zinc/36/40/06/175364006.db2.gz KKGJSIRLGLNNKL-MRXNPFEDSA-N 1 1 286.460 2.820 10 0 CFAEMO CCC[NH2+][C@@](C)(CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(=O)[O-] ZINC000045373447 175364985 /nfs/dbraw/zinc/36/49/85/175364985.db2.gz NOLPRLGPCUUXHD-LZWOXQAQSA-N 1 1 284.444 2.587 10 0 CFAEMO CCC[NH2+][C@@](C)(CCCN(C)c1ccccc1)C(=O)OC ZINC000045376634 175367246 /nfs/dbraw/zinc/36/72/46/175367246.db2.gz RMMNNGKIEHUKBK-KRWDZBQOSA-N 1 1 292.423 2.834 10 0 CFAEMO CCOC(=O)[C@@](C)(N)CCCC[N@H+](C)C1CCCCC1 ZINC000045379065 175368090 /nfs/dbraw/zinc/36/80/90/175368090.db2.gz GXIVMVRLRRSILG-INIZCTEOSA-N 1 1 284.444 2.702 10 0 CFAEMO CCOC(=O)[C@@](C)(N)CCCC[N@@H+](C)C1CCCCC1 ZINC000045379065 175368091 /nfs/dbraw/zinc/36/80/91/175368091.db2.gz GXIVMVRLRRSILG-INIZCTEOSA-N 1 1 284.444 2.702 10 0 CFAEMO CCC[NH2+][C@](C)(CCCC[N@@H+](C)CC(C)C)C(=O)[O-] ZINC000045380810 175370380 /nfs/dbraw/zinc/37/03/80/175370380.db2.gz ARXDNPXXRQSQHV-OAHLLOKOSA-N 1 1 272.433 2.587 10 0 CFAEMO CC[NH2+][C@@](C)(CCCC[N@H+]1CCCC[C@@H]1CC)C(=O)[O-] ZINC000045384080 175370852 /nfs/dbraw/zinc/37/08/52/175370852.db2.gz XZFWXMXYOHFRAK-HOCLYGCPSA-N 1 1 284.444 2.874 10 0 CFAEMO CCOC(=O)[C@](C)(CCC[N@@H+](C)C1CCCC1)NC1CC1 ZINC000045384953 175372220 /nfs/dbraw/zinc/37/22/20/175372220.db2.gz GAAPVUAXSYIUKR-KRWDZBQOSA-N 1 1 296.455 2.715 10 0 CFAEMO CC[N@@H+](CCCC[C@](C)(NC(C)C)C(=O)OC)C1CC1 ZINC000045386409 175372673 /nfs/dbraw/zinc/37/26/73/175372673.db2.gz VWBAWVZPANQYSR-INIZCTEOSA-N 1 1 284.444 2.571 10 0 CFAEMO CCC[N@@H+](CC)CCCC[C@@](C)(NC1CC1)C(=O)OCC ZINC000045386981 175372858 /nfs/dbraw/zinc/37/28/58/175372858.db2.gz GKIKUKIOLZUPKS-QGZVFWFLSA-N 1 1 298.471 2.962 10 0 CFAEMO CC[N@@H+](CCCC[C@@](C)(NC(C)C)C(=O)OC)C1CC1 ZINC000045386414 175373101 /nfs/dbraw/zinc/37/31/01/175373101.db2.gz VWBAWVZPANQYSR-MRXNPFEDSA-N 1 1 284.444 2.571 10 0 CFAEMO CCCN[C@](C)(CCC[N@@H+](CC)C1CC1)C(=O)OCC ZINC000045386576 175373163 /nfs/dbraw/zinc/37/31/63/175373163.db2.gz KVZMRHKAXVCQLP-MRXNPFEDSA-N 1 1 284.444 2.572 10 0 CFAEMO CC[NH2+][C@@](C)(CCCC[N@@H+](C)C[C@@H](C)CC)C(=O)[O-] ZINC000045388430 175373805 /nfs/dbraw/zinc/37/38/05/175373805.db2.gz XVJCQWAQOJJHNE-ZFWWWQNUSA-N 1 1 272.433 2.587 10 0 CFAEMO CCC[N@@H+](CCC[C@@](C)(NC1CC1)C(=O)OCC)C1CC1 ZINC000045387677 175374169 /nfs/dbraw/zinc/37/41/69/175374169.db2.gz RJSYNFCGQHNVPV-QGZVFWFLSA-N 1 1 296.455 2.715 10 0 CFAEMO CCN[C@](C)(CCCC[N@@H+](CC)C1CCCC1)C(=O)OC ZINC000045390494 175374428 /nfs/dbraw/zinc/37/44/28/175374428.db2.gz CQDJXBGUNGCGQH-QGZVFWFLSA-N 1 1 298.471 2.962 10 0 CFAEMO CC[N@@H+](CCCC[C@](C)(NC)C(=O)OC)C1CCCC1 ZINC000045390470 175374466 /nfs/dbraw/zinc/37/44/66/175374466.db2.gz RBUKBVOIHRTURA-INIZCTEOSA-N 1 1 284.444 2.572 10 0 CFAEMO CC[NH2+][C@@](C)(CCCC[N@@H+](C)[C@@H](C)C(C)C)C(=O)[O-] ZINC000045391898 175375572 /nfs/dbraw/zinc/37/55/72/175375572.db2.gz ROKRKDBKAGEJTE-ZFWWWQNUSA-N 1 1 272.433 2.586 10 0 CFAEMO C[NH2+][C@@](C)(CCCC[N@@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000045419121 175377153 /nfs/dbraw/zinc/37/71/53/175377153.db2.gz SBFQZEZUYRUPSI-INIZCTEOSA-N 1 1 284.444 2.874 10 0 CFAEMO COC(=O)[C@](C)(CCC[N@@H+](C)[C@@H](C)C(C)(C)C)NC1CC1 ZINC000045421039 175379749 /nfs/dbraw/zinc/37/97/49/175379749.db2.gz BIHJVKOFJZORRA-GUYCJALGSA-N 1 1 298.471 2.817 10 0 CFAEMO CCCC[N@@H+](CCCC[C@@](C)(NC)C(=O)OC)C1CC1 ZINC000045421736 175380564 /nfs/dbraw/zinc/38/05/64/175380564.db2.gz YAYXBRHBFBAXAD-MRXNPFEDSA-N 1 1 284.444 2.572 10 0 CFAEMO CC[N@H+]1CCC[C@H](Nc2nnc(Cl)c(C)c2C)C1 ZINC000071171591 176051831 /nfs/dbraw/zinc/05/18/31/176051831.db2.gz VRJLFHLOIDNAMJ-NSHDSACASA-N 1 1 268.792 2.643 10 0 CFAEMO COc1ccccc1-c1nc2cc(C[NH3+])ccc2[nH]1 ZINC000071574633 176201657 /nfs/dbraw/zinc/20/16/57/176201657.db2.gz CRMQYKLPSMRQJC-UHFFFAOYSA-N 1 1 253.305 2.697 10 0 CFAEMO CCCOc1ccc([C@H]([C@@H](C)N)[NH+]2CCCC2)cc1 ZINC000071594601 176217762 /nfs/dbraw/zinc/21/77/62/176217762.db2.gz RUHSYNBCOXEDAT-CJNGLKHVSA-N 1 1 262.397 2.960 10 0 CFAEMO O=C(c1ccc2c(c1)CCCC2)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195084332 270249898 /nfs/dbraw/zinc/24/98/98/270249898.db2.gz RLSCSVHJRUUVGS-GOSISDBHSA-N 1 1 298.430 2.876 10 0 CFAEMO C[C@H](NC(=O)NCC[N@H+]1CCC[C@H](C)C1)c1cccs1 ZINC000043290164 270228261 /nfs/dbraw/zinc/22/82/61/270228261.db2.gz KKSNCUHPDZGNSC-STQMWFEESA-N 1 1 295.452 2.840 10 0 CFAEMO C[C@@H](Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1C[C@H]1C ZINC000321946764 270295255 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CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1F ZINC000095752107 278401000 /nfs/dbraw/zinc/40/10/00/278401000.db2.gz LTMRWHLACNGEAE-CYBMUJFWSA-N 1 1 280.343 2.707 10 0 CFAEMO Cc1nccc(N2CCC([C@H](C)[NH3+])CC2)c1Cl ZINC000261552568 279164089 /nfs/dbraw/zinc/16/40/89/279164089.db2.gz NBJJHJBBVCFICJ-VIFPVBQESA-N 1 1 253.777 2.607 10 0 CFAEMO C[C@H](CCc1ccccc1)[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000171511099 279273907 /nfs/dbraw/zinc/27/39/07/279273907.db2.gz FVBFAHLITOHJJI-AEFFLSMTSA-N 1 1 299.418 2.605 10 0 CFAEMO CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)CC(C)C)C1 ZINC000175380621 279293372 /nfs/dbraw/zinc/29/33/72/279293372.db2.gz IBVYIBNDCGTHFG-CYBMUJFWSA-N 1 1 254.418 2.659 10 0 CFAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)C[C@H]1C=CCC1 ZINC000177152095 280814384 /nfs/dbraw/zinc/81/43/84/280814384.db2.gz RKJYJRRODLNHKX-LSDHHAIUSA-N 1 1 273.380 2.539 10 0 CFAEMO Cc1ccc([C@H](C)[NH2+][C@H]2CCCn3ncnc32)s1 ZINC000164631293 280981366 /nfs/dbraw/zinc/98/13/66/280981366.db2.gz VYEWRLDCUBLNMO-QWRGUYRKSA-N 1 1 262.382 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Cc1cc2c(nc(N(C)C)[nH+]c2N2CCCCCC2)[nH]1 ZINC000223905775 622996312 /nfs/dbraw/zinc/99/63/12/622996312.db2.gz IWWOQEGGRHMERG-UHFFFAOYSA-N 1 1 273.384 2.713 10 0 CFAEMO CCOCC[N@@H+](C)C[C@@H](O)c1ccc2ccccc2c1 ZINC000157417490 623032205 /nfs/dbraw/zinc/03/22/05/623032205.db2.gz ORIXEVIVCCBKJN-QGZVFWFLSA-N 1 1 273.376 2.842 10 0 CFAEMO O=C1Nc2ccccc2[C@@]12CCC[N@@H+](Cc1ccncc1)C2 ZINC000072171432 625619710 /nfs/dbraw/zinc/61/97/10/625619710.db2.gz WAMBQOJJNFJIIA-SFHVURJKSA-N 1 1 293.370 2.568 10 0 CFAEMO C[C@@H]1C[N@@H+](C/C=C\c2ccc(F)cc2)CC[C@]1(C)O ZINC000229764553 623222602 /nfs/dbraw/zinc/22/26/02/623222602.db2.gz NTTHCNGMLZAIPS-HRQKUVISSA-N 1 1 263.356 2.932 10 0 CFAEMO Cc1cnc([C@@H](C)[NH2+]C[C@@H](O)c2cc(F)ccc2F)o1 ZINC000230642819 623287478 /nfs/dbraw/zinc/28/74/78/623287478.db2.gz GZNHCEXHBKNUJW-NOZJJQNGSA-N 1 1 282.290 2.645 10 0 CFAEMO Cc1cnc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(F)c(F)c2)o1 ZINC000230646857 623287991 /nfs/dbraw/zinc/28/79/91/623287991.db2.gz TVAQFGHBENGUCF-NOZJJQNGSA-N 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C[C@@H]1C[N@@H+](Cn2ccc(-c3ccccc3)n2)CCS1 ZINC000109316540 633972221 /nfs/dbraw/zinc/97/22/21/633972221.db2.gz KNYREVVWTLTQHT-CYBMUJFWSA-N 1 1 273.405 2.945 10 0 CFAEMO Cn1cc([C@@H]2CC[N@@H+](CCc3cccs3)C2)cn1 ZINC000116313351 636336502 /nfs/dbraw/zinc/33/65/02/636336502.db2.gz KKYAQOHHTPAAKA-GFCCVEGCSA-N 1 1 261.394 2.514 10 0 CFAEMO Cc1cc(C)cc([C@@H](O)C[N@@H+]2CCC[C@H]2c2cnn(C)c2)c1 ZINC000246764750 650882166 /nfs/dbraw/zinc/88/21/66/650882166.db2.gz QSJAQBXRICRWOU-ROUUACIJSA-N 1 1 299.418 2.907 10 0 CFAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1cccc(Br)n1 ZINC000094463893 650957675 /nfs/dbraw/zinc/95/76/75/650957675.db2.gz SWGDPVXROWIUBR-GHMZBOCLSA-N 1 1 296.212 2.517 10 0 CFAEMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(C)cc(C)c2)C[C@@H]1C ZINC000094996756 650967274 /nfs/dbraw/zinc/96/72/74/650967274.db2.gz KQAGMUXGLNALCP-DZGCQCFKSA-N 1 1 261.365 2.544 10 0 CFAEMO C[C@H](N[C@H]1CCC[C@H]1C[NH3+])c1cc(F)ccc1F ZINC000252678187 651016165 /nfs/dbraw/zinc/01/61/65/651016165.db2.gz FELINMMEVDMZOR-BHDSKKPTSA-N 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PBEOQPSZTNNPDY-AWEZNQCLSA-N 1 1 261.365 2.708 10 0 CFAEMO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H]1CCc2ccccc21 ZINC000090223845 282106645 /nfs/dbraw/zinc/10/66/45/282106645.db2.gz CYPOALVIRAWVLQ-LSDHHAIUSA-N 1 1 268.364 2.699 10 0 CFAEMO C[N@H+]1CCc2[nH]nc(-c3ccc(Br)cc3)c2C1 ZINC000082807696 178309727 /nfs/dbraw/zinc/30/97/27/178309727.db2.gz IDHJLBXDYJFCCN-UHFFFAOYSA-N 1 1 292.180 2.827 10 0 CFAEMO C[C@H]([NH2+]Cc1ccccc1Cl)C(=O)N1CCCCC1 ZINC000096942724 185134171 /nfs/dbraw/zinc/13/41/71/185134171.db2.gz DWTFOIXONKCAOE-LBPRGKRZSA-N 1 1 280.799 2.831 10 0 CFAEMO Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCCC[C@@H]1C(C)C)C2 ZINC000335306648 282177580 /nfs/dbraw/zinc/17/75/80/282177580.db2.gz DFCRWIMHOLMWJW-GOEBONIOSA-N 1 1 289.423 2.791 10 0 CFAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C1CCCCC1 ZINC000177212969 282211691 /nfs/dbraw/zinc/21/16/91/282211691.db2.gz CMZCGCNGIPUYFN-HNNXBMFYSA-N 1 1 275.396 2.763 10 0 CFAEMO CC[C@H](C)C[C@H](C)NC(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000174235484 529682434 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ZINC000133853891 232211546 /nfs/dbraw/zinc/21/15/46/232211546.db2.gz MMGVVLFJYBNNNH-MRXNPFEDSA-N 1 1 271.364 2.958 10 0 CFAEMO Cc1ccccc1C(C)(C)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171756989 232268240 /nfs/dbraw/zinc/26/82/40/232268240.db2.gz PVIQHHMHKHNNHZ-HNNXBMFYSA-N 1 1 286.419 2.579 10 0 CFAEMO O=C(NCCCCC1CCCC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000173460813 232276345 /nfs/dbraw/zinc/27/63/45/232276345.db2.gz FVGDIBNSTPZORW-MRXNPFEDSA-N 1 1 293.455 2.837 10 0 CFAEMO CCn1c(C)nnc1C[N@@H+]1CCC[C@](C)(CC)C1 ZINC000174196483 232289969 /nfs/dbraw/zinc/28/99/69/232289969.db2.gz COMOSKPCAUMSJI-AWEZNQCLSA-N 1 1 250.390 2.619 10 0 CFAEMO CCn1c(C)nnc1C[N@H+]1CCC[C@](C)(CC)C1 ZINC000174196483 232289970 /nfs/dbraw/zinc/28/99/70/232289970.db2.gz COMOSKPCAUMSJI-AWEZNQCLSA-N 1 1 250.390 2.619 10 0 CFAEMO Cc1nn(C)cc1C[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000123607347 539502434 /nfs/dbraw/zinc/50/24/34/539502434.db2.gz FJKUUQQSSQGRDC-JTQLQIEISA-N 1 1 265.307 2.858 10 0 CFAEMO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1csc(Br)c1 ZINC000295142188 199369116 /nfs/dbraw/zinc/36/91/16/199369116.db2.gz ZXRIKVIBXWFRCH-SCZZXKLOSA-N 1 1 290.226 2.856 10 0 CFAEMO C[C@@H]1[C@@H](O)CCC[N@H+]1Cc1csc(Br)c1 ZINC000295142188 199369118 /nfs/dbraw/zinc/36/91/18/199369118.db2.gz ZXRIKVIBXWFRCH-SCZZXKLOSA-N 1 1 290.226 2.856 10 0 CFAEMO COc1cccc([C@]2(O)CC[C@@H]3CCCC[N@H+]3C2)c1 ZINC000033756231 346312991 /nfs/dbraw/zinc/31/29/91/346312991.db2.gz ATZDJMFCVGWWEM-HOCLYGCPSA-N 1 1 261.365 2.531 10 0 CFAEMO CC(C)[C@@H](N)C[N@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1 ZINC000039129260 346341261 /nfs/dbraw/zinc/34/12/61/346341261.db2.gz VDQHNYXWWWISJE-JCGIZDLHSA-N 1 1 290.451 2.975 10 0 CFAEMO CC(C)[C@@H]([NH3+])CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1 ZINC000039129260 346341263 /nfs/dbraw/zinc/34/12/63/346341263.db2.gz VDQHNYXWWWISJE-JCGIZDLHSA-N 1 1 290.451 2.975 10 0 CFAEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1cccc(OC)c1F ZINC000192951778 539546473 /nfs/dbraw/zinc/54/64/73/539546473.db2.gz MVYLEOAUOGJMJS-CQSZACIVSA-N 1 1 280.387 2.750 10 0 CFAEMO CCc1[nH+]c2ccc(I)cn2c1C ZINC000059864896 346657908 /nfs/dbraw/zinc/65/79/08/346657908.db2.gz ADRHOENSNFDESZ-UHFFFAOYSA-N 1 1 286.116 2.810 10 0 CFAEMO Cc1cc(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)ccc1F ZINC000128474941 187372769 /nfs/dbraw/zinc/37/27/69/187372769.db2.gz CRBOAGOXGSUMER-OAHLLOKOSA-N 1 1 288.370 2.638 10 0 CFAEMO C[N@@H+]1C[C@@H](O)c2cc3c(c4c2[C@@H]1Cc1ccccc1-4)OCO3 ZINC000085894695 179195885 /nfs/dbraw/zinc/19/58/85/179195885.db2.gz RCKNRLRYLSSRKX-UONOGXRCSA-N 1 1 295.338 2.658 10 0 CFAEMO C[N@H+]1C[C@@H](O)c2cc3c(c4c2[C@@H]1Cc1ccccc1-4)OCO3 ZINC000085894695 179195886 /nfs/dbraw/zinc/19/58/86/179195886.db2.gz RCKNRLRYLSSRKX-UONOGXRCSA-N 1 1 295.338 2.658 10 0 CFAEMO Cc1ncccc1C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000093586012 347679851 /nfs/dbraw/zinc/67/98/51/347679851.db2.gz TZGVNGMNLBFQSC-HZPDHXFCSA-N 1 1 260.381 2.517 10 0 CFAEMO Cn1cnnc1C[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000107899596 347736838 /nfs/dbraw/zinc/73/68/38/347736838.db2.gz UPXIZAPXAJFORV-UHFFFAOYSA-N 1 1 274.343 2.513 10 0 CFAEMO COc1ccc(C[N@H+]2CC[C@@H](c3ccc(N)cn3)C2)cc1 ZINC000117724042 347794447 /nfs/dbraw/zinc/79/44/47/347794447.db2.gz IYSMULKKAYJKRO-CQSZACIVSA-N 1 1 283.375 2.662 10 0 CFAEMO [NH3+]CC(F)(F)c1ccc(F)c(Br)c1 ZINC000137039271 347912200 /nfs/dbraw/zinc/91/22/00/347912200.db2.gz WYKXXHTUCIFRFU-UHFFFAOYSA-N 1 1 254.049 2.639 10 0 CFAEMO CC(C)[N@H+]1CCC[C@@H](Nc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000086836037 179349354 /nfs/dbraw/zinc/34/93/54/179349354.db2.gz QKZSEBWSSBRADC-GFCCVEGCSA-N 1 1 288.395 2.531 10 0 CFAEMO CN1CCC[C@@H]([NH2+]CCCOC2CCCCC2)CC1 ZINC000086817418 179345250 /nfs/dbraw/zinc/34/52/50/179345250.db2.gz PVYOORFHYCNGMN-OAHLLOKOSA-N 1 1 268.445 2.800 10 0 CFAEMO COc1ccc(OC)c(N[C@@H]2CCC[N@@H+](C)CC2)c1 ZINC000086817102 179345400 /nfs/dbraw/zinc/34/54/00/179345400.db2.gz ZPDCIIXKSPYAKT-GFCCVEGCSA-N 1 1 264.369 2.600 10 0 CFAEMO COc1cc(N[C@@H]2CCC[N@@H+](C)CC2)cc(OC)c1 ZINC000086817094 179345456 /nfs/dbraw/zinc/34/54/56/179345456.db2.gz GXYYWEJSBMLVGE-GFCCVEGCSA-N 1 1 264.369 2.600 10 0 CFAEMO C[N@H+]1CCC[C@@H](Nc2ccccc2-n2cccn2)CC1 ZINC000086817978 179346097 /nfs/dbraw/zinc/34/60/97/179346097.db2.gz GIGOHIGXRQUKQU-CQSZACIVSA-N 1 1 270.380 2.769 10 0 CFAEMO Cc1ccc(-c2nnco2)cc1N[C@H]1CCC[N@H+](C)CC1 ZINC000086817960 179346110 /nfs/dbraw/zinc/34/61/10/179346110.db2.gz HZRJLELGSJINTJ-AWEZNQCLSA-N 1 1 286.379 2.941 10 0 CFAEMO CC[N@H+]1CCC[C@@](Nc2cccc(C)c2)(C(=O)OC)CC1 ZINC000086850040 179357645 /nfs/dbraw/zinc/35/76/45/179357645.db2.gz MBPKMWHHAXICQR-KRWDZBQOSA-N 1 1 290.407 2.825 10 0 CFAEMO CC[N@H+]1CCC[C@@H](Nc2ccc(OC)c(O)c2)CC1 ZINC000086840140 179351069 /nfs/dbraw/zinc/35/10/69/179351069.db2.gz NXIVPCGASLROCS-GFCCVEGCSA-N 1 1 264.369 2.687 10 0 CFAEMO CC(C)[N@@H+]1CCC[C@@H](N[C@@H](C)c2cccnc2)CC1 ZINC000086836373 179352205 /nfs/dbraw/zinc/35/22/05/179352205.db2.gz GTOXOFMFZGFXFM-GOEBONIOSA-N 1 1 261.413 2.995 10 0 CFAEMO 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ZINC000039789069 174173657 /nfs/dbraw/zinc/17/36/57/174173657.db2.gz HBRFZQNSUKRMLU-DVOMOZLQSA-N 1 1 262.397 2.958 10 0 CFAEMO COc1cccc([C@@H](CN)[N@@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000039789069 174173659 /nfs/dbraw/zinc/17/36/59/174173659.db2.gz HBRFZQNSUKRMLU-DVOMOZLQSA-N 1 1 262.397 2.958 10 0 CFAEMO O[C@H](Cc1[nH]cc[nH+]1)c1ccc(Cl)c(Cl)c1 ZINC000040261379 174217167 /nfs/dbraw/zinc/21/71/67/174217167.db2.gz QLZYTQGYHJUQGO-SNVBAGLBSA-N 1 1 257.120 2.993 10 0 CFAEMO O[C@@H](Cc1[nH]cc[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000040261464 174217277 /nfs/dbraw/zinc/21/72/77/174217277.db2.gz YTDAEQVZYMTHMI-JTQLQIEISA-N 1 1 256.227 2.705 10 0 CFAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C[C@@H](OC)C1CCCC1 ZINC000660108846 414663554 /nfs/dbraw/zinc/66/35/54/414663554.db2.gz CYQIBHDMSJKSLN-BRWVUGGUSA-N 1 1 280.456 2.750 10 0 CFAEMO CC[C@@H]1CN2CCC[C@@H]2C[N@@H+]1C[C@@H](OC)C1CCCC1 ZINC000660108846 414663555 /nfs/dbraw/zinc/66/35/55/414663555.db2.gz CYQIBHDMSJKSLN-BRWVUGGUSA-N 1 1 280.456 2.750 10 0 CFAEMO CC[C@@H]1CN2CCC[C@@H]2C[N@H+]1C[C@@H](OC)C1CCCC1 ZINC000660108846 414663557 /nfs/dbraw/zinc/66/35/57/414663557.db2.gz CYQIBHDMSJKSLN-BRWVUGGUSA-N 1 1 280.456 2.750 10 0 CFAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C[C@@H](OC)C1CCCC1 ZINC000660108848 414663637 /nfs/dbraw/zinc/66/36/37/414663637.db2.gz CYQIBHDMSJKSLN-IXDOHACOSA-N 1 1 280.456 2.750 10 0 CFAEMO CC[C@@H]1CN2CCC[C@H]2C[N@@H+]1C[C@@H](OC)C1CCCC1 ZINC000660108848 414663639 /nfs/dbraw/zinc/66/36/39/414663639.db2.gz CYQIBHDMSJKSLN-IXDOHACOSA-N 1 1 280.456 2.750 10 0 CFAEMO CC[C@@H]1CN2CCC[C@H]2C[N@H+]1C[C@@H](OC)C1CCCC1 ZINC000660108848 414663640 /nfs/dbraw/zinc/66/36/40/414663640.db2.gz CYQIBHDMSJKSLN-IXDOHACOSA-N 1 1 280.456 2.750 10 0 CFAEMO CCCCOCC[NH2+]c1cc2ccccc2c(=O)[nH]1 ZINC000040507501 174303100 /nfs/dbraw/zinc/30/31/00/174303100.db2.gz LHQGAEHKRRMWCP-UHFFFAOYSA-N 1 1 260.337 2.757 10 0 CFAEMO CC[NH+](CC)[C@H](CN)c1cccc(OC(C)C)c1 ZINC000040640855 174364283 /nfs/dbraw/zinc/36/42/83/174364283.db2.gz WHXPWMFTWZIDMF-OAHLLOKOSA-N 1 1 250.386 2.815 10 0 CFAEMO CCOC1CC[NH+]([C@H](C)[C@H](N)c2ccc(C)cc2)CC1 ZINC000040689267 174375785 /nfs/dbraw/zinc/37/57/85/174375785.db2.gz RMPLBMUOJNANEF-PBHICJAKSA-N 1 1 276.424 2.884 10 0 CFAEMO CCOC1CCN([C@@H](CC)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000040689230 174375888 /nfs/dbraw/zinc/37/58/88/174375888.db2.gz PUSVZDHKWGPIFX-IRXDYDNUSA-N 1 1 276.424 2.966 10 0 CFAEMO CCOC1CC[NH+]([C@@H](C)[C@H](N)c2ccccc2)CC1 ZINC000040689295 174376434 /nfs/dbraw/zinc/37/64/34/174376434.db2.gz WJZPRFMJSJSGIY-BBRMVZONSA-N 1 1 262.397 2.576 10 0 CFAEMO CCOC1CC[NH+](C[C@H](N)c2ccc(C)cc2C)CC1 ZINC000040689351 174376514 /nfs/dbraw/zinc/37/65/14/174376514.db2.gz IYTXVHRPKSYVIQ-KRWDZBQOSA-N 1 1 276.424 2.804 10 0 CFAEMO CSCC[C@H]([NH3+])C(=O)O[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000040951724 174438251 /nfs/dbraw/zinc/43/82/51/174438251.db2.gz QFKGXTNMCXOWMM-UTUOFQBUSA-N 1 1 273.442 2.825 10 0 CFAEMO COc1cc(OC)c([C@H]([NH3+])c2nc(C)cs2)cc1OC ZINC000041182046 174505901 /nfs/dbraw/zinc/50/59/01/174505901.db2.gz KORFIBOGTYFKLN-ZDUSSCGKSA-N 1 1 294.376 2.525 10 0 CFAEMO CCc1nc([C@@]2([NH3+])CCOc3ccccc32)sc1C ZINC000041184190 174507166 /nfs/dbraw/zinc/50/71/66/174507166.db2.gz CLJFVCVNZDPMHE-OAHLLOKOSA-N 1 1 274.389 2.999 10 0 CFAEMO COCC[N@@H+](CC(=O)c1ccc(C)cc1OC)CC(C)C ZINC000042370405 174700851 /nfs/dbraw/zinc/70/08/51/174700851.db2.gz ZTPCPDBSGDUBLI-UHFFFAOYSA-N 1 1 293.407 2.791 10 0 CFAEMO COCC[N@H+](CC(=O)c1ccc(C)cc1OC)CC(C)C ZINC000042370405 174700852 /nfs/dbraw/zinc/70/08/52/174700852.db2.gz ZTPCPDBSGDUBLI-UHFFFAOYSA-N 1 1 293.407 2.791 10 0 CFAEMO C[C@@H](Cc1ccccc1Cl)[NH2+][C@H]1CCCNC1 ZINC000043325853 175007508 /nfs/dbraw/zinc/00/75/08/175007508.db2.gz CYHHSSSCEAMPLG-AAEUAGOBSA-N 1 1 252.789 2.613 10 0 CFAEMO C[C@@H](Cc1cccc(Cl)c1)N[C@@H]1CCC[NH2+]C1 ZINC000043326315 175007669 /nfs/dbraw/zinc/00/76/69/175007669.db2.gz IQCOCKJJEIALAR-SMDDNHRTSA-N 1 1 252.789 2.613 10 0 CFAEMO CC[C@@H](N)[C@H](c1ccco1)[N@H+](CCOC)CC(C)C ZINC000043335922 175012271 /nfs/dbraw/zinc/01/22/71/175012271.db2.gz HDGFOWBLVLFTSR-UKRRQHHQSA-N 1 1 268.401 2.662 10 0 CFAEMO CC[C@@H](N)[C@H](c1ccco1)[N@@H+](CCOC)CC(C)C ZINC000043335922 175012272 /nfs/dbraw/zinc/01/22/72/175012272.db2.gz HDGFOWBLVLFTSR-UKRRQHHQSA-N 1 1 268.401 2.662 10 0 CFAEMO CCC(CC)[N@H+](CCOC)[C@H](c1ccccn1)[C@@H](C)N ZINC000043341021 175015577 /nfs/dbraw/zinc/01/55/77/175015577.db2.gz CMIZKONIRDFRGL-CJNGLKHVSA-N 1 1 279.428 2.607 10 0 CFAEMO CCC(CC)[N@@H+](CCOC)[C@H](c1ccccn1)[C@@H](C)N ZINC000043341021 175015578 /nfs/dbraw/zinc/01/55/78/175015578.db2.gz CMIZKONIRDFRGL-CJNGLKHVSA-N 1 1 279.428 2.607 10 0 CFAEMO CC[C@@H](N)[C@H](c1cccnc1)[N@@H+]1CCC[C@@H](CC)C1 ZINC000043346775 175017274 /nfs/dbraw/zinc/01/72/74/175017274.db2.gz PPAZHOPGTLOAKB-BMFZPTHFSA-N 1 1 261.413 2.982 10 0 CFAEMO CC[C@@H](N)[C@H](c1cccnc1)[N@H+]1CCC[C@@H](CC)C1 ZINC000043346775 175017276 /nfs/dbraw/zinc/01/72/76/175017276.db2.gz PPAZHOPGTLOAKB-BMFZPTHFSA-N 1 1 261.413 2.982 10 0 CFAEMO C[C@@H](N)[C@H](c1cccnc1)[N@H+](C)C1CCC(C)CC1 ZINC000043347574 175017926 /nfs/dbraw/zinc/01/79/26/175017926.db2.gz HYIDJCIUYMKROD-QFXNTCPOSA-N 1 1 261.413 2.980 10 0 CFAEMO C[C@@H](N)[C@H](c1cccnc1)[N@@H+](C)C1CCC(C)CC1 ZINC000043347574 175017928 /nfs/dbraw/zinc/01/79/28/175017928.db2.gz HYIDJCIUYMKROD-QFXNTCPOSA-N 1 1 261.413 2.980 10 0 CFAEMO CC[C@H](N)[C@@H](c1cccnc1)[N@H+](CC1CC1)C(C)C ZINC000043348422 175018603 /nfs/dbraw/zinc/01/86/03/175018603.db2.gz SCWXWRSLDQYRHV-JKSUJKDBSA-N 1 1 261.413 2.980 10 0 CFAEMO CC[C@H](N)[C@@H](c1cccnc1)[N@@H+](CC1CC1)C(C)C ZINC000043348422 175018605 /nfs/dbraw/zinc/01/86/05/175018605.db2.gz SCWXWRSLDQYRHV-JKSUJKDBSA-N 1 1 261.413 2.980 10 0 CFAEMO [NH3+]Cc1ccc(OCCN2CCCCC2)c(Cl)c1 ZINC000043477686 175055236 /nfs/dbraw/zinc/05/52/36/175055236.db2.gz JOZOJQAYXUTAOL-UHFFFAOYSA-N 1 1 268.788 2.663 10 0 CFAEMO Cc1[nH+]ccn1CCOc1ccc(C=O)cc1Cl ZINC000043488483 175056329 /nfs/dbraw/zinc/05/63/29/175056329.db2.gz KHBXOXUCMBLKBP-UHFFFAOYSA-N 1 1 264.712 2.736 10 0 CFAEMO C[C@@H](C[C@@H](CN)[N@H+](C)[C@@H]1CCSC1)c1ccccc1 ZINC000043534712 175062690 /nfs/dbraw/zinc/06/26/90/175062690.db2.gz GFYLJXXKCNEABB-IMJJTQAJSA-N 1 1 278.465 2.945 10 0 CFAEMO C[C@@H](C[C@@H](CN)[N@@H+](C)[C@@H]1CCSC1)c1ccccc1 ZINC000043534712 175062691 /nfs/dbraw/zinc/06/26/91/175062691.db2.gz GFYLJXXKCNEABB-IMJJTQAJSA-N 1 1 278.465 2.945 10 0 CFAEMO CCn1ccnc1[C@H]([NH3+])c1ccc(Cl)cc1OC ZINC000043566186 175067009 /nfs/dbraw/zinc/06/70/09/175067009.db2.gz SMOLTJRMJRTCGE-GFCCVEGCSA-N 1 1 265.744 2.613 10 0 CFAEMO CCOC(=O)[C@H](C)C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000043615269 175079681 /nfs/dbraw/zinc/07/96/81/175079681.db2.gz LKHSFMDUVXIMOW-HZSPNIEDSA-N 1 1 253.386 2.698 10 0 CFAEMO C[C@@H](O)c1nc2cc([C@H]([NH3+])c3ccccc3)ccc2[nH]1 ZINC000043647189 175085114 /nfs/dbraw/zinc/08/51/14/175085114.db2.gz RIGKYCBSGGAGKP-MEBBXXQBSA-N 1 1 267.332 2.664 10 0 CFAEMO CCC[NH2+][C@@H]1CC[C@@H](CC)C[C@@H]1N1CCN(CC)CC1 ZINC000043806206 175108195 /nfs/dbraw/zinc/10/81/95/175108195.db2.gz LWHGGVYNUVMHOP-ZACQAIPSSA-N 1 1 281.488 2.571 10 0 CFAEMO CCC[NH2+][C@@H](CN1CCN(CC)CC1)c1ccc(C)cc1 ZINC000043806155 175108378 /nfs/dbraw/zinc/10/83/78/175108378.db2.gz GZRAVPDWALIHQX-SFHVURJKSA-N 1 1 289.467 2.673 10 0 CFAEMO CCC[NH2+][C@@H](c1ccccc1)[C@@H](C)N1CCN(CC)CC1 ZINC000043806159 175108657 /nfs/dbraw/zinc/10/86/57/175108657.db2.gz STGMPLZMAHJTOU-SJLPKXTDSA-N 1 1 289.467 2.753 10 0 CFAEMO CC[NH+](CC)C[C@@H](NC)c1cc(C)ccc1OC ZINC000043809029 175109527 /nfs/dbraw/zinc/10/95/27/175109527.db2.gz VPFHPFXZNZTXTP-CQSZACIVSA-N 1 1 250.386 2.606 10 0 CFAEMO CN[C@@H](C[N@@H+]1CCCC[C@@H]1C)c1cc(OC)ccc1OC ZINC000043809842 175109776 /nfs/dbraw/zinc/10/97/76/175109776.db2.gz BDCCYIAYHJTUDU-BBRMVZONSA-N 1 1 292.423 2.839 10 0 CFAEMO CN[C@@H](C[N@H+]1CCCC[C@@H]1C)c1cc(OC)ccc1OC ZINC000043809842 175109777 /nfs/dbraw/zinc/10/97/77/175109777.db2.gz BDCCYIAYHJTUDU-BBRMVZONSA-N 1 1 292.423 2.839 10 0 CFAEMO CC[NH+](CC)[C@H](C)[C@@H](NC)c1ccc(OC)cc1 ZINC000043809005 175109838 /nfs/dbraw/zinc/10/98/38/175109838.db2.gz XICVOPIKSGJCLK-IUODEOHRSA-N 1 1 250.386 2.686 10 0 CFAEMO CCC[NH2+][C@H](CN1CCN(C)CC1)c1cc(C)ccc1C ZINC000043811021 175110245 /nfs/dbraw/zinc/11/02/45/175110245.db2.gz AFRWTSFNRVBXLC-GOSISDBHSA-N 1 1 289.467 2.592 10 0 CFAEMO CN[C@H]1c2ccccc2OC[C@@H]1[NH+]1CCCCCC1 ZINC000043812106 175110655 /nfs/dbraw/zinc/11/06/55/175110655.db2.gz AVXYJIAGVUYITG-HOCLYGCPSA-N 1 1 260.381 2.584 10 0 CFAEMO CN[C@H](C[NH+]1CCCCCC1)c1ccc2c(c1)OCO2 ZINC000043812046 175111088 /nfs/dbraw/zinc/11/10/88/175111088.db2.gz RWZJBUFIZKZERN-CQSZACIVSA-N 1 1 276.380 2.552 10 0 CFAEMO CN[C@H](C[NH+]1CCCCCC1)c1cccc(OC)c1 ZINC000043812042 175111333 /nfs/dbraw/zinc/11/13/33/175111333.db2.gz PPUOUHURKZQLMR-MRXNPFEDSA-N 1 1 262.397 2.832 10 0 CFAEMO CCC[NH+](CCC)[C@@H]1COc2ccccc2[C@@H]1NC ZINC000043814719 175111713 /nfs/dbraw/zinc/11/17/13/175111713.db2.gz NWHCEIOYYYBTML-ZBFHGGJFSA-N 1 1 262.397 2.830 10 0 CFAEMO CCC[NH2+][C@@H]1CCC2(C[C@H]1N(CCC)CCC)OCCO2 ZINC000043814867 175111875 /nfs/dbraw/zinc/11/18/75/175111875.db2.gz JDTDPGVZOGNKFJ-HZPDHXFCSA-N 1 1 298.471 2.772 10 0 CFAEMO CCCC[N@H+](C)C[C@@H](NC)c1ccc(OC)cc1OC ZINC000043816668 175112448 /nfs/dbraw/zinc/11/24/48/175112448.db2.gz IPSGBFYFEJQOGV-OAHLLOKOSA-N 1 1 280.412 2.696 10 0 CFAEMO CCCC[N@@H+](C)C[C@@H](NC)c1ccc(OC)cc1OC ZINC000043816668 175112450 /nfs/dbraw/zinc/11/24/50/175112450.db2.gz IPSGBFYFEJQOGV-OAHLLOKOSA-N 1 1 280.412 2.696 10 0 CFAEMO C[NH2+][C@H](CN1CCN(C)C[C@@H]1c1ccccc1)C(C)(C)C ZINC000043817793 175113025 /nfs/dbraw/zinc/11/30/25/175113025.db2.gz DWGAFIZHIJAQHF-IAGOWNOFSA-N 1 1 289.467 2.609 10 0 CFAEMO CC[N@H+](C1CC1)[C@@H]1CCc2cc(OC)ccc2[C@@H]1NC ZINC000043821542 175114805 /nfs/dbraw/zinc/11/48/05/175114805.db2.gz ZZSKTRZAWFTWHC-SJORKVTESA-N 1 1 274.408 2.755 10 0 CFAEMO CC[N@@H+](C1CC1)[C@@H]1CCc2cc(OC)ccc2[C@@H]1NC ZINC000043821542 175114806 /nfs/dbraw/zinc/11/48/06/175114806.db2.gz ZZSKTRZAWFTWHC-SJORKVTESA-N 1 1 274.408 2.755 10 0 CFAEMO CC[N@H+](C[C@H](NC)c1ccc(OC)c(OC)c1)C(C)C ZINC000043824219 175114865 /nfs/dbraw/zinc/11/48/65/175114865.db2.gz ITXNNGOQQUHBPQ-AWEZNQCLSA-N 1 1 280.412 2.695 10 0 CFAEMO CC[N@@H+](C[C@H](NC)c1ccc(OC)c(OC)c1)C(C)C ZINC000043824219 175114866 /nfs/dbraw/zinc/11/48/66/175114866.db2.gz ITXNNGOQQUHBPQ-AWEZNQCLSA-N 1 1 280.412 2.695 10 0 CFAEMO CN[C@@H](C[N@H+](C)CC(C)C)c1cccc(OC)c1 ZINC000043886560 175116484 /nfs/dbraw/zinc/11/64/84/175116484.db2.gz SFEWBYDZNBRCNC-HNNXBMFYSA-N 1 1 250.386 2.544 10 0 CFAEMO CN[C@@H](C[N@@H+](C)CC(C)C)c1cccc(OC)c1 ZINC000043886560 175116486 /nfs/dbraw/zinc/11/64/86/175116486.db2.gz SFEWBYDZNBRCNC-HNNXBMFYSA-N 1 1 250.386 2.544 10 0 CFAEMO CCC[N@H+](C)C[C@@H](NCC)c1ccc2c(c1)OCCCO2 ZINC000043886153 175116516 /nfs/dbraw/zinc/11/65/16/175116516.db2.gz UARRAYZMZZRDDE-OAHLLOKOSA-N 1 1 292.423 2.840 10 0 CFAEMO CCC[N@@H+](C)C[C@@H](NCC)c1ccc2c(c1)OCCCO2 ZINC000043886153 175116518 /nfs/dbraw/zinc/11/65/18/175116518.db2.gz UARRAYZMZZRDDE-OAHLLOKOSA-N 1 1 292.423 2.840 10 0 CFAEMO CCC[N@@H+](CC)C[C@H](NC)c1ccc(OC)cc1OC ZINC000043884292 175116798 /nfs/dbraw/zinc/11/67/98/175116798.db2.gz LRPMRCHSQZLYNY-HNNXBMFYSA-N 1 1 280.412 2.696 10 0 CFAEMO CCCN(CC)C[C@H]([NH2+]C)c1ccc(OC)cc1OC ZINC000043884292 175116799 /nfs/dbraw/zinc/11/67/99/175116799.db2.gz LRPMRCHSQZLYNY-HNNXBMFYSA-N 1 1 280.412 2.696 10 0 CFAEMO CCN[C@H]1c2ccccc2OC[C@@H]1[N@H+](C)C1CCCC1 ZINC000043884074 175117097 /nfs/dbraw/zinc/11/70/97/175117097.db2.gz DVWDVKPGFBRWKA-RDJZCZTQSA-N 1 1 274.408 2.973 10 0 CFAEMO CCN[C@H]1c2ccccc2OC[C@@H]1[N@@H+](C)C1CCCC1 ZINC000043884074 175117100 /nfs/dbraw/zinc/11/71/00/175117100.db2.gz DVWDVKPGFBRWKA-RDJZCZTQSA-N 1 1 274.408 2.973 10 0 CFAEMO CN[C@H](C[N@@H+](C)CC(C)C)c1ccc(OC)cc1OC ZINC000043886498 175117127 /nfs/dbraw/zinc/11/71/27/175117127.db2.gz DXDAOEZTXIRCBF-OAHLLOKOSA-N 1 1 280.412 2.552 10 0 CFAEMO C[NH2+][C@H](CN(C)CC(C)C)c1ccc(OC)cc1OC ZINC000043886498 175117129 /nfs/dbraw/zinc/11/71/29/175117129.db2.gz DXDAOEZTXIRCBF-OAHLLOKOSA-N 1 1 280.412 2.552 10 0 CFAEMO CCC[N@H+](C[C@@H](NC)c1ccc2c(c1)OCCO2)C1CC1 ZINC000043885406 175117138 /nfs/dbraw/zinc/11/71/38/175117138.db2.gz OJHXCJNYXSCSBK-OAHLLOKOSA-N 1 1 290.407 2.593 10 0 CFAEMO CCC[N@@H+](C[C@@H](NC)c1ccc2c(c1)OCCO2)C1CC1 ZINC000043885406 175117140 /nfs/dbraw/zinc/11/71/40/175117140.db2.gz OJHXCJNYXSCSBK-OAHLLOKOSA-N 1 1 290.407 2.593 10 0 CFAEMO CCC[N@H+](C[C@@H](NC)c1ccc(OC)c(OC)c1)C1CC1 ZINC000043885464 175117229 /nfs/dbraw/zinc/11/72/29/175117229.db2.gz QPTMUIVGLYUBHI-OAHLLOKOSA-N 1 1 292.423 2.839 10 0 CFAEMO CCC[N@@H+](C[C@@H](NC)c1ccc(OC)c(OC)c1)C1CC1 ZINC000043885464 175117230 /nfs/dbraw/zinc/11/72/30/175117230.db2.gz QPTMUIVGLYUBHI-OAHLLOKOSA-N 1 1 292.423 2.839 10 0 CFAEMO CCC[N@H+](C[C@H](NC)c1ccc(OC)cc1OC)C1CC1 ZINC000043885333 175117235 /nfs/dbraw/zinc/11/72/35/175117235.db2.gz FRCBUUGNQAYHIT-INIZCTEOSA-N 1 1 292.423 2.839 10 0 CFAEMO CCC[N@@H+](C[C@H](NC)c1ccc(OC)cc1OC)C1CC1 ZINC000043885333 175117237 /nfs/dbraw/zinc/11/72/37/175117237.db2.gz FRCBUUGNQAYHIT-INIZCTEOSA-N 1 1 292.423 2.839 10 0 CFAEMO CCC[NH2+][C@@H]1CCC2(C[C@H]1N(CC)[C@@H](C)CC)OCCO2 ZINC000043888995 175117353 /nfs/dbraw/zinc/11/73/53/175117353.db2.gz VQZHMAUTSGPQDZ-ARFHVFGLSA-N 1 1 298.471 2.771 10 0 CFAEMO CN[C@H](C[NH+]1CCC(OC)CC1)c1cc2ccccc2o1 ZINC000043890084 175117503 /nfs/dbraw/zinc/11/75/03/175117503.db2.gz CYHBOPYIRMMMGB-OAHLLOKOSA-N 1 1 288.391 2.804 10 0 CFAEMO CC[N@@H+](CC(C)C)C[C@H](NC)c1ccccc1OC ZINC000043887880 175117761 /nfs/dbraw/zinc/11/77/61/175117761.db2.gz JJEJVOOTNXXWRY-HNNXBMFYSA-N 1 1 264.413 2.934 10 0 CFAEMO CCN(CC(C)C)C[C@H]([NH2+]C)c1ccccc1OC ZINC000043887880 175117762 /nfs/dbraw/zinc/11/77/62/175117762.db2.gz JJEJVOOTNXXWRY-HNNXBMFYSA-N 1 1 264.413 2.934 10 0 CFAEMO CCN[C@H](C[N@H+](C)CC(C)C)c1ccccc1OC ZINC000043886781 175117824 /nfs/dbraw/zinc/11/78/24/175117824.db2.gz IGYLJKIDOKQWJM-OAHLLOKOSA-N 1 1 264.413 2.934 10 0 CFAEMO CCN[C@H](C[N@@H+](C)CC(C)C)c1ccccc1OC ZINC000043886781 175117825 /nfs/dbraw/zinc/11/78/25/175117825.db2.gz IGYLJKIDOKQWJM-OAHLLOKOSA-N 1 1 264.413 2.934 10 0 CFAEMO CCC[C@H](C)[N@H+](C)[C@@H]1COc2ccccc2[C@@H]1NC ZINC000043896373 175119493 /nfs/dbraw/zinc/11/94/93/175119493.db2.gz ZDLPDTQPRNKOJF-BJJXKVORSA-N 1 1 262.397 2.829 10 0 CFAEMO CCC[C@H](C)[N@@H+](C)[C@@H]1COc2ccccc2[C@@H]1NC ZINC000043896373 175119494 /nfs/dbraw/zinc/11/94/94/175119494.db2.gz ZDLPDTQPRNKOJF-BJJXKVORSA-N 1 1 262.397 2.829 10 0 CFAEMO CN[C@@H](C[N@H+](C)[C@@H](C)C1CC1)c1cccc(OC)c1 ZINC000043894698 175119500 /nfs/dbraw/zinc/11/95/00/175119500.db2.gz JVMOVKDSAZVTSP-LRDDRELGSA-N 1 1 262.397 2.686 10 0 CFAEMO CN[C@@H](C[N@@H+](C)[C@@H](C)C1CC1)c1cccc(OC)c1 ZINC000043894698 175119502 /nfs/dbraw/zinc/11/95/02/175119502.db2.gz JVMOVKDSAZVTSP-LRDDRELGSA-N 1 1 262.397 2.686 10 0 CFAEMO CN[C@@H](C[N@H+](C)C1CCOCC1)c1ccc(C)cc1C ZINC000043898209 175121386 /nfs/dbraw/zinc/12/13/86/175121386.db2.gz VGRYDABNDUQAEG-KRWDZBQOSA-N 1 1 276.424 2.675 10 0 CFAEMO CN[C@@H](C[N@@H+](C)C1CCOCC1)c1ccc(C)cc1C ZINC000043898209 175121387 /nfs/dbraw/zinc/12/13/87/175121387.db2.gz VGRYDABNDUQAEG-KRWDZBQOSA-N 1 1 276.424 2.675 10 0 CFAEMO CCC[NH2+][C@@H]1CCC2(C[C@@H]1N1CCC[C@@H]1CC)OCCO2 ZINC000043904891 175122329 /nfs/dbraw/zinc/12/23/29/175122329.db2.gz VCSJXSGLFIJAGM-XHSDSOJGSA-N 1 1 296.455 2.525 10 0 CFAEMO CCCN[C@@H]1c2ccccc2C[C@@H]1[N@H+](C)CC1CC1 ZINC000043906488 175122947 /nfs/dbraw/zinc/12/29/47/175122947.db2.gz RMJAAUMVNIGULX-DLBZAZTESA-N 1 1 258.409 2.994 10 0 CFAEMO CCCN[C@@H]1c2ccccc2C[C@@H]1[N@@H+](C)CC1CC1 ZINC000043906488 175122949 /nfs/dbraw/zinc/12/29/49/175122949.db2.gz RMJAAUMVNIGULX-DLBZAZTESA-N 1 1 258.409 2.994 10 0 CFAEMO CCC1CC[NH+]([C@H]2Cc3ccccc3[C@@H]2NC)CC1 ZINC000043913141 175124221 /nfs/dbraw/zinc/12/42/21/175124221.db2.gz DDPAAZJUXZUNRN-IRXDYDNUSA-N 1 1 258.409 2.994 10 0 CFAEMO CCC[NH2+][C@H](C)c1ccc(OC)c(CN(C)CCOC)c1 ZINC000043916543 175125602 /nfs/dbraw/zinc/12/56/02/175125602.db2.gz JKMKHBCEMDMJLK-CQSZACIVSA-N 1 1 294.439 2.834 10 0 CFAEMO CCC(CC)C[N@H+](CC)[C@@H]1CC2(CC[C@@H]1NC)OCCO2 ZINC000043967077 175128139 /nfs/dbraw/zinc/12/81/39/175128139.db2.gz WDOSVBCICGNCRH-JKSUJKDBSA-N 1 1 298.471 2.628 10 0 CFAEMO CCC(CC)C[N@@H+](CC)[C@@H]1CC2(CC[C@@H]1NC)OCCO2 ZINC000043967077 175128140 /nfs/dbraw/zinc/12/81/40/175128140.db2.gz WDOSVBCICGNCRH-JKSUJKDBSA-N 1 1 298.471 2.628 10 0 CFAEMO CCC[NH2+][C@H]1CC[C@H](CC)C[C@@H]1N1CCN(C2CC2)CC1 ZINC000043967786 175129280 /nfs/dbraw/zinc/12/92/80/175129280.db2.gz QMDQZWRFYYAGKM-SZMVWBNQSA-N 1 1 293.499 2.713 10 0 CFAEMO CC[NH2+][C@H](C)c1ccc(OC)c(CN(CC)CCOC)c1 ZINC000043968724 175129417 /nfs/dbraw/zinc/12/94/17/175129417.db2.gz QKJRJIXFQGLZCQ-CQSZACIVSA-N 1 1 294.439 2.834 10 0 CFAEMO CN[C@H](c1ccccc1)[C@@H](C(C)C)[N@H+](C)[C@@H](C)COC ZINC000043969080 175130467 /nfs/dbraw/zinc/13/04/67/175130467.db2.gz KKEWICGZZMATKI-USXIJHARSA-N 1 1 278.440 2.938 10 0 CFAEMO CN[C@H](c1ccccc1)[C@@H](C(C)C)[N@@H+](C)[C@@H](C)COC ZINC000043969080 175130469 /nfs/dbraw/zinc/13/04/69/175130469.db2.gz KKEWICGZZMATKI-USXIJHARSA-N 1 1 278.440 2.938 10 0 CFAEMO C[NH2+][C@H]1CCCCCC[C@H]1N(CCOC)CC(C)C ZINC000043970238 175131073 /nfs/dbraw/zinc/13/10/73/175131073.db2.gz GYIJAQUTEGBFMJ-JKSUJKDBSA-N 1 1 270.461 2.902 10 0 CFAEMO CN[C@H]1c2ccccc2C[C@H]1[N@@H+](CC1CC1)C(C)C ZINC000043974276 175132505 /nfs/dbraw/zinc/13/25/05/175132505.db2.gz NMFOLTQVONCYGY-SJORKVTESA-N 1 1 258.409 2.992 10 0 CFAEMO C[NH2+][C@H]1c2ccccc2C[C@H]1N(CC1CC1)C(C)C ZINC000043974276 175132507 /nfs/dbraw/zinc/13/25/07/175132507.db2.gz NMFOLTQVONCYGY-SJORKVTESA-N 1 1 258.409 2.992 10 0 CFAEMO CN[C@@H](C[N@H+](CC(C)C)C1CC1)c1ccc2c(c1)OCO2 ZINC000043972106 175132994 /nfs/dbraw/zinc/13/29/94/175132994.db2.gz TZLRZIGKCAQYEF-HNNXBMFYSA-N 1 1 290.407 2.796 10 0 CFAEMO CN[C@@H](C[N@@H+](CC(C)C)C1CC1)c1ccc2c(c1)OCO2 ZINC000043972106 175132995 /nfs/dbraw/zinc/13/29/95/175132995.db2.gz TZLRZIGKCAQYEF-HNNXBMFYSA-N 1 1 290.407 2.796 10 0 CFAEMO CN[C@H]1c2ccccc2C[C@H]1[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977441 175133443 /nfs/dbraw/zinc/13/34/43/175133443.db2.gz UXVNQNQFTMPUSY-VHSSKADRSA-N 1 1 288.435 2.619 10 0 CFAEMO CN[C@H]1c2ccccc2C[C@H]1[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043977441 175133444 /nfs/dbraw/zinc/13/34/44/175133444.db2.gz UXVNQNQFTMPUSY-VHSSKADRSA-N 1 1 288.435 2.619 10 0 CFAEMO CC[NH2+][C@@H]1CCCC[C@@H]1N(CCOC)[C@@H](C)C1CC1 ZINC000043977715 175133772 /nfs/dbraw/zinc/13/37/72/175133772.db2.gz OYNYBYIIZVYJJK-IMJJTQAJSA-N 1 1 268.445 2.654 10 0 CFAEMO COc1ccc([C@@H](O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c(OC)c1 ZINC000044113631 175141236 /nfs/dbraw/zinc/14/12/36/175141236.db2.gz OEIWFNKGBFYNMZ-ZENOOKHLSA-N 1 1 293.407 2.715 10 0 CFAEMO CC(C)[N@@H+](C)C[C@@H](O)C12CC3CC(CC(C3)C1)C2 ZINC000044119090 175142068 /nfs/dbraw/zinc/14/20/68/175142068.db2.gz DTDIEXNDSVQSNF-IBHBGHMQSA-N 1 1 251.414 2.904 10 0 CFAEMO CC[C@H]([C@H](O)c1ccccc1)[N@@H+](C)C1CCN(C)CC1 ZINC000044121252 175142806 /nfs/dbraw/zinc/14/28/06/175142806.db2.gz YTAMNYAPIUWDHY-IAGOWNOFSA-N 1 1 276.424 2.525 10 0 CFAEMO COc1ccc([C@@H](O)C[N@@H+](C)C2CCCC2)c(OC)c1 ZINC000044128497 175144019 /nfs/dbraw/zinc/14/40/19/175144019.db2.gz YLUPHXSWJWOLKC-HNNXBMFYSA-N 1 1 279.380 2.612 10 0 CFAEMO CC[N@@H+](Cc1cc([C@H](C)O)ccc1OC)C(C)C ZINC000044128465 175144284 /nfs/dbraw/zinc/14/42/84/175144284.db2.gz XCMLTYXEKGLVAO-LBPRGKRZSA-N 1 1 251.370 2.979 10 0 CFAEMO Cc1cc(C)c([C@H](O)C[NH+]2CCN(C(C)C)CC2)c(C)c1 ZINC000044132747 175144704 /nfs/dbraw/zinc/14/47/04/175144704.db2.gz SSBASZUDKWCGCY-QGZVFWFLSA-N 1 1 290.451 2.671 10 0 CFAEMO CCC[N@@H+](CC)Cc1cc([C@H](C)O)ccc1OC ZINC000044130640 175145088 /nfs/dbraw/zinc/14/50/88/175145088.db2.gz QFDFPFQGPLMQFZ-LBPRGKRZSA-N 1 1 251.370 2.980 10 0 CFAEMO COc1ccc([C@@H](O)[C@@H](C)[N@@H+](C)Cc2cccnc2)cc1 ZINC000044133982 175145175 /nfs/dbraw/zinc/14/51/75/175145175.db2.gz LXMZUQIMVCJZMK-DYVFJYSZSA-N 1 1 286.375 2.644 10 0 CFAEMO Cc1ccc(C)c([C@H](O)C[N@H+](C)Cc2cccnc2)c1 ZINC000044133844 175145320 /nfs/dbraw/zinc/14/53/20/175145320.db2.gz QFRVOKSUYLUUBV-QGZVFWFLSA-N 1 1 270.376 2.864 10 0 CFAEMO C[C@@H]([C@H](O)c1ccccc1)[N@@H+](C)Cc1ccccn1 ZINC000044133400 175145482 /nfs/dbraw/zinc/14/54/82/175145482.db2.gz RMGTWGGCLVQWHP-BBRMVZONSA-N 1 1 256.349 2.636 10 0 CFAEMO CC(C)[C@@H]([C@@H](O)c1ccccc1)[N@@H+](C)C1CCOCC1 ZINC000044160102 175147415 /nfs/dbraw/zinc/14/74/15/175147415.db2.gz IERLWAMKFQQELP-IRXDYDNUSA-N 1 1 277.408 2.855 10 0 CFAEMO CC(C)[C@H]([C@@H](O)c1ccccc1)[N@@H+](C)C1CCOCC1 ZINC000044160104 175147624 /nfs/dbraw/zinc/14/76/24/175147624.db2.gz IERLWAMKFQQELP-SJORKVTESA-N 1 1 277.408 2.855 10 0 CFAEMO Cc1ccc([C@@H](O)[C@H](C)[N@H+](CCN(C)C)CC(C)C)cc1 ZINC000044164551 175147797 /nfs/dbraw/zinc/14/77/97/175147797.db2.gz KFAVUYMQJUZEDT-WMZOPIPTSA-N 1 1 292.467 2.937 10 0 CFAEMO Cc1ccc(C)c([C@H](O)C[N@H+](C)C[C@@H]2CCCCO2)c1 ZINC000044165375 175147885 /nfs/dbraw/zinc/14/78/85/175147885.db2.gz XXINECQKWDVWCU-DOTOQJQBSA-N 1 1 277.408 2.838 10 0 CFAEMO COc1ccccc1[C@@H](O)C[N@@H+](CC(C)C)C1CC1 ZINC000044170201 175148324 /nfs/dbraw/zinc/14/83/24/175148324.db2.gz KTOSTJPQVVQVJN-HNNXBMFYSA-N 1 1 263.381 2.849 10 0 CFAEMO C[N@@H+](C[C@H]1CCCO1)[C@@H]1CCCc2ccccc2[C@@H]1O ZINC000044171210 175148554 /nfs/dbraw/zinc/14/85/54/175148554.db2.gz MVUUDPWZSVUKDJ-OIISXLGYSA-N 1 1 275.392 2.536 10 0 CFAEMO CC[N@@H+](CCOC)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1O ZINC000044173241 175149392 /nfs/dbraw/zinc/14/93/92/175149392.db2.gz AGVZNYGBJUADIA-MCIONIFRSA-N 1 1 257.418 2.530 10 0 CFAEMO CCC[C@@H](O)[C@@H](CC)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000044173496 175149587 /nfs/dbraw/zinc/14/95/87/175149587.db2.gz BLLAGMNWBAICOX-NWANDNLSSA-N 1 1 257.418 2.673 10 0 CFAEMO CCN1CCC([N@@H+](C)C[C@@H](O)c2ccc(C)cc2C)CC1 ZINC000044172653 175149616 /nfs/dbraw/zinc/14/96/16/175149616.db2.gz SDEXZHIRYHPMHS-GOSISDBHSA-N 1 1 290.451 2.753 10 0 CFAEMO CC[NH+]1CCC(N(C)C[C@@H](O)c2ccc(C)cc2C)CC1 ZINC000044172653 175149617 /nfs/dbraw/zinc/14/96/17/175149617.db2.gz SDEXZHIRYHPMHS-GOSISDBHSA-N 1 1 290.451 2.753 10 0 CFAEMO CC(C)C[C@H](C)[N@@H+](C)[C@@H]1COc2ccccc2[C@@H]1O ZINC000044176498 175149926 /nfs/dbraw/zinc/14/99/26/175149926.db2.gz OVTXRXSPHTZDFN-BJJXKVORSA-N 1 1 263.381 2.847 10 0 CFAEMO Cc1cccc(C[N@H+](C)[C@H]2COc3ccccc3[C@@H]2O)c1 ZINC000044180412 175151301 /nfs/dbraw/zinc/15/13/01/175151301.db2.gz YVVPZFSREXMRHP-WMZOPIPTSA-N 1 1 283.371 2.921 10 0 CFAEMO Cc1cccc(C[N@H+](C)[C@@H]2COc3ccccc3[C@@H]2O)c1 ZINC000044180410 175151419 /nfs/dbraw/zinc/15/14/19/175151419.db2.gz YVVPZFSREXMRHP-AEFFLSMTSA-N 1 1 283.371 2.921 10 0 CFAEMO CC[C@H]([C@H](O)c1ccccc1)[NH+]1CCN(CC2CC2)CC1 ZINC000044179939 175151653 /nfs/dbraw/zinc/15/16/53/175151653.db2.gz SENHJMYMOWISSW-QZTJIDSGSA-N 1 1 288.435 2.526 10 0 CFAEMO CCCN1CCN([C@@H](c2ccsc2)[C@@H]([NH3+])CC)CC1 ZINC000044418507 175173249 /nfs/dbraw/zinc/17/32/49/175173249.db2.gz PJRWQLCXQQBQSS-GJZGRUSLSA-N 1 1 281.469 2.554 10 0 CFAEMO C[C@H](C(N)=S)[N@@H+](C)Cc1cccc(Br)c1 ZINC000044427334 175175484 /nfs/dbraw/zinc/17/54/84/175175484.db2.gz FQNYUNHMACSXCM-MRVPVSSYSA-N 1 1 287.226 2.556 10 0 CFAEMO COc1ccc(OC)c(-c2nc([C@@H]([NH3+])C(C)(C)C)no2)c1 ZINC000044482451 175179770 /nfs/dbraw/zinc/17/97/70/175179770.db2.gz OVOGJXQVJVSQSV-GFCCVEGCSA-N 1 1 291.351 2.800 10 0 CFAEMO CCn1cc([C@H]([NH3+])c2cc3ccc(OC)cc3o2)cn1 ZINC000044496606 175184007 /nfs/dbraw/zinc/18/40/07/175184007.db2.gz MTEKYLYHNMSFDN-HNNXBMFYSA-N 1 1 271.320 2.706 10 0 CFAEMO Cc1c2cc(C)ccc2oc1[C@H]([NH3+])c1cnn(C)c1 ZINC000044496596 175184064 /nfs/dbraw/zinc/18/40/64/175184064.db2.gz SYFUSVYFXJINHE-CQSZACIVSA-N 1 1 255.321 2.831 10 0 CFAEMO C[N@H+]1CCC[C@H](CNc2ccc(Cl)cc2N)C1 ZINC000044535329 175198532 /nfs/dbraw/zinc/19/85/32/175198532.db2.gz UXMNITYKOIJASX-SNVBAGLBSA-N 1 1 253.777 2.676 10 0 CFAEMO Cc1nc2cc(NC[C@@H]3CCC[N@H+](C)C3)c(N)cc2s1 ZINC000044535599 175198860 /nfs/dbraw/zinc/19/88/60/175198860.db2.gz FMKLBCOLQJJZTQ-NSHDSACASA-N 1 1 290.436 2.941 10 0 CFAEMO C[N@H+]1CCC[C@H](CN2C(=S)N=NC2c2cccs2)C1 ZINC000044538116 175200010 /nfs/dbraw/zinc/20/00/10/175200010.db2.gz SKBMSOFPHBLYJP-JTQLQIEISA-N 1 1 294.449 2.637 10 0 CFAEMO COc1ccc2c(c1)CCC[C@H]2[N@@H+]1CCCC[C@@H]1CN ZINC000044540289 175200965 /nfs/dbraw/zinc/20/09/65/175200965.db2.gz DSTSOJMMQKMAFU-RHSMWYFYSA-N 1 1 274.408 2.886 10 0 CFAEMO COc1ccc2c(c1)CCC[C@H]2[N@H+]1CCCC[C@@H]1CN ZINC000044540289 175200967 /nfs/dbraw/zinc/20/09/67/175200967.db2.gz DSTSOJMMQKMAFU-RHSMWYFYSA-N 1 1 274.408 2.886 10 0 CFAEMO Nc1ccc(N[C@H]2CC[N@H+](C3CC3)C2)c(Cl)c1 ZINC000044689159 175232695 /nfs/dbraw/zinc/23/26/95/175232695.db2.gz ADMQKCFQAAFACI-JTQLQIEISA-N 1 1 251.761 2.571 10 0 CFAEMO Nc1cc(C(F)(F)F)ccc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044689153 175232960 /nfs/dbraw/zinc/23/29/60/175232960.db2.gz OKBAYGAIXNDDJT-SNVBAGLBSA-N 1 1 285.313 2.936 10 0 CFAEMO CCC[N@H+]1CCC[C@H]([C@@H](C)NCc2cc(C)on2)C1 ZINC000044692682 175233660 /nfs/dbraw/zinc/23/36/60/175233660.db2.gz ZQPMRFYKZAONKT-KGLIPLIRSA-N 1 1 265.401 2.583 10 0 CFAEMO CC[NH+](CC)CCN[C@H]1CCCc2cc(O)ccc21 ZINC000044746711 175242820 /nfs/dbraw/zinc/24/28/20/175242820.db2.gz BCKKUEYVTOFBJT-INIZCTEOSA-N 1 1 262.397 2.701 10 0 CFAEMO COCC[C@](C)(C[NH3+])N1CCC(Cc2ccccc2)CC1 ZINC000045043159 175295220 /nfs/dbraw/zinc/29/52/20/175295220.db2.gz MYFBWQFHIOKVNS-GOSISDBHSA-N 1 1 290.451 2.695 10 0 CFAEMO CC[N@@H+](CC(N)=S)Cc1ccc(F)cc1Cl ZINC000045063301 175298989 /nfs/dbraw/zinc/29/89/89/175298989.db2.gz DZWDTZRJERMAFO-UHFFFAOYSA-N 1 1 260.765 2.587 10 0 CFAEMO CC[N@H+](CC(N)=S)Cc1sccc1Br ZINC000045063486 175299093 /nfs/dbraw/zinc/29/90/93/175299093.db2.gz SZMPNVUSMODEHS-UHFFFAOYSA-N 1 1 293.255 2.619 10 0 CFAEMO CC[N@@H+](CC(N)=S)Cc1sccc1Br ZINC000045063486 175299095 /nfs/dbraw/zinc/29/90/95/175299095.db2.gz SZMPNVUSMODEHS-UHFFFAOYSA-N 1 1 293.255 2.619 10 0 CFAEMO CN(CC(C)(C)C)[C@@]1(C[NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC000045070748 175301062 /nfs/dbraw/zinc/30/10/62/175301062.db2.gz IJYFIJLTGZKCAE-GOSISDBHSA-N 1 1 289.467 2.568 10 0 CFAEMO C[N@H+](CC(C)(C)C)[C@@]1(CN)CCN(Cc2ccccc2)C1 ZINC000045070748 175301064 /nfs/dbraw/zinc/30/10/64/175301064.db2.gz IJYFIJLTGZKCAE-GOSISDBHSA-N 1 1 289.467 2.568 10 0 CFAEMO C[N@@H+](CC(C)(C)C)[C@@]1(CN)CCN(Cc2ccccc2)C1 ZINC000045070748 175301065 /nfs/dbraw/zinc/30/10/65/175301065.db2.gz IJYFIJLTGZKCAE-GOSISDBHSA-N 1 1 289.467 2.568 10 0 CFAEMO Cn1ccnc1[C@@H]([NH2+][C@H]1CC1(C)C)c1cccs1 ZINC000045117246 175311775 /nfs/dbraw/zinc/31/17/75/175311775.db2.gz IICIQIQMOZMDRU-RYUDHWBXSA-N 1 1 261.394 2.959 10 0 CFAEMO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]C[C@H](C(C)C)N1CCCC1 ZINC000045168891 175319919 /nfs/dbraw/zinc/31/99/19/175319919.db2.gz ZKBPDYYXWOMTBO-CZUORRHYSA-N 1 1 292.471 2.808 10 0 CFAEMO Cc1nn(C)c(C)c1[C@H](C)N[C@@H](C)C[NH+]1CCCCC1 ZINC000045171214 175321337 /nfs/dbraw/zinc/32/13/37/175321337.db2.gz YPWIPUUPLHCZLO-STQMWFEESA-N 1 1 278.444 2.562 10 0 CFAEMO CCN[C@@](C)(CC[N@@H+]1[C@H](C)CCC[C@@H]1C)C(=O)OCC ZINC000045231927 175335790 /nfs/dbraw/zinc/33/57/90/175335790.db2.gz QXYWRBBOBRKQKS-LZWOXQAQSA-N 1 1 284.444 2.571 10 0 CFAEMO CCCN[C@](C)(CC[N@@H+](C)C(CC)CC)C(=O)OCC ZINC000045269740 175341809 /nfs/dbraw/zinc/34/18/09/175341809.db2.gz APLJMPRSFJQBQW-MRXNPFEDSA-N 1 1 286.460 2.818 10 0 CFAEMO CCOC(=O)[C@](C)(C[N@@H+](C)C1CCCCCC1)NC(C)C ZINC000045271933 175342149 /nfs/dbraw/zinc/34/21/49/175342149.db2.gz LAHWKHDMJQCUQY-KRWDZBQOSA-N 1 1 298.471 2.961 10 0 CFAEMO C[N@@H+](CC[C@@](C)([NH2+]C1CC1)C(=O)[O-])C1CCCCCC1 ZINC000045271965 175342536 /nfs/dbraw/zinc/34/25/36/175342536.db2.gz UFPOVAKEJJVQFJ-MRXNPFEDSA-N 1 1 282.428 2.626 10 0 CFAEMO CCOC(=O)[C@](C)(CC[N@@H+](CC(C)C)C1CC1)NC1CC1 ZINC000045277600 175347662 /nfs/dbraw/zinc/34/76/62/175347662.db2.gz ZCTVKOOKMQOTRL-KRWDZBQOSA-N 1 1 296.455 2.571 10 0 CFAEMO CCCCC[N@@H+](C[C@](C)(NCC)C(=O)OCC)C(C)C ZINC000045278564 175348256 /nfs/dbraw/zinc/34/82/56/175348256.db2.gz XOOUZCORTIZSLA-INIZCTEOSA-N 1 1 286.460 2.818 10 0 CFAEMO CCC[NH2+][C@](C)(CC[N@@H+](CC)CC(CC)CC)C(=O)[O-] ZINC000045277823 175348520 /nfs/dbraw/zinc/34/85/20/175348520.db2.gz VAOKERKFMSKTEB-MRXNPFEDSA-N 1 1 286.460 2.978 10 0 CFAEMO CCN[C@@](C)(CC[N@@H+](C)C1CCC(C)CC1)C(=O)OCC ZINC000045280609 175349908 /nfs/dbraw/zinc/34/99/08/175349908.db2.gz RHDBPDLANDESNW-DQPZFDDXSA-N 1 1 298.471 2.818 10 0 CFAEMO CCCN[C@@](C)(C[N@@H+](C)[C@@H](C)CC(C)C)C(=O)OCC ZINC000045279960 175350454 /nfs/dbraw/zinc/35/04/54/175350454.db2.gz FHJTUNZHSDLSEB-HOCLYGCPSA-N 1 1 286.460 2.674 10 0 CFAEMO CCOC(=O)[C@](C)(C[N@@H+](CC(C)C)C(C)C)NC(C)C ZINC000045280713 175350825 /nfs/dbraw/zinc/35/08/25/175350825.db2.gz PHTIHEOCYLNYMQ-INIZCTEOSA-N 1 1 286.460 2.673 10 0 CFAEMO CCOC(=O)[C@](C)(N)CC[N@@H+](C)C1CCC(CC)CC1 ZINC000045281140 175351597 /nfs/dbraw/zinc/35/15/97/175351597.db2.gz NFHLJKCBTUECRX-ZBCRRDGASA-N 1 1 284.444 2.558 10 0 CFAEMO CCCC[N@@H+](C)CCCC[C@@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045368183 175362905 /nfs/dbraw/zinc/36/29/05/175362905.db2.gz GKQMPSVWZLJWSQ-OAHLLOKOSA-N 1 1 272.433 2.730 10 0 CFAEMO CCN[C@@](C)(CCCC[N@H+]1CCC[C@@H]1CC)C(=O)OCC ZINC000045367402 175363105 /nfs/dbraw/zinc/36/31/05/175363105.db2.gz KYSMKVPTADVNNK-RDJZCZTQSA-N 1 1 298.471 2.962 10 0 CFAEMO CCCC[N@@H+](C)CCCC[C@@](C)([NH2+]CCC)C(=O)[O-] ZINC000045368177 175363339 /nfs/dbraw/zinc/36/33/39/175363339.db2.gz KKCLGYSUFNVPLN-OAHLLOKOSA-N 1 1 272.433 2.732 10 0 CFAEMO CCCC[N@@H+](CC)CCCC[C@](C)([NH2+]CC)C(=O)[O-] ZINC000045370387 175363530 /nfs/dbraw/zinc/36/35/30/175363530.db2.gz BAEJKYOMLDECSK-HNNXBMFYSA-N 1 1 272.433 2.732 10 0 CFAEMO CCC[NH2+][C@](C)(CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(=O)[O-] ZINC000045373451 175364722 /nfs/dbraw/zinc/36/47/22/175364722.db2.gz NOLPRLGPCUUXHD-IJEWVQPXSA-N 1 1 284.444 2.587 10 0 CFAEMO CCC[NH2+][C@@](C)(CCC[N@@H+]1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000045379654 175369102 /nfs/dbraw/zinc/36/91/02/175369102.db2.gz TXLPAKPYLSYRBO-LZWOXQAQSA-N 1 1 284.444 2.872 10 0 CFAEMO CC[N@@H+](CCCC[C@](C)([NH2+]C1CC1)C(=O)[O-])CC(C)C ZINC000045381656 175369708 /nfs/dbraw/zinc/36/97/08/175369708.db2.gz PRQUKHGPRWVNLK-INIZCTEOSA-N 1 1 284.444 2.730 10 0 CFAEMO CCCN[C@](C)(CCC[N@@H+](C)[C@@H](C)CC)C(=O)OCC ZINC000045381444 175369913 /nfs/dbraw/zinc/36/99/13/175369913.db2.gz LDSAQUFFNYJGSX-GOEBONIOSA-N 1 1 286.460 2.818 10 0 CFAEMO CCOC(=O)[C@@](C)(CCCC[N@@H+](CC)CC(C)C)NC ZINC000045381689 175369963 /nfs/dbraw/zinc/36/99/63/175369963.db2.gz MSYQNUZCKNQEOZ-MRXNPFEDSA-N 1 1 286.460 2.676 10 0 CFAEMO CCOC(=O)[C@](C)(CCC[N@@H+](C)[C@@H](C)CC)NC(C)C ZINC000045381461 175370174 /nfs/dbraw/zinc/37/01/74/175370174.db2.gz LQJKTXUMFDHRCV-HOCLYGCPSA-N 1 1 286.460 2.817 10 0 CFAEMO CCN[C@@](C)(CCC[N@H+]1CCCC[C@@H]1CC)C(=O)OCC ZINC000045384303 175370959 /nfs/dbraw/zinc/37/09/59/175370959.db2.gz YYYMAWRIGJNMOL-RDJZCZTQSA-N 1 1 298.471 2.962 10 0 CFAEMO CCC[NH2+][C@@](C)(CCCC[N@@H+](CC)C(C)C)C(=O)[O-] ZINC000045383601 175371437 /nfs/dbraw/zinc/37/14/37/175371437.db2.gz NNHSTFQPHSAQEQ-HNNXBMFYSA-N 1 1 272.433 2.730 10 0 CFAEMO CCC[N@@H+](CCC[C@](C)(NC1CC1)C(=O)OCC)C(C)C ZINC000045386085 175371858 /nfs/dbraw/zinc/37/18/58/175371858.db2.gz KKUCWFRNJPGAJP-KRWDZBQOSA-N 1 1 298.471 2.961 10 0 CFAEMO CCN[C@@](C)(CCCC[N@@H+](C)C1CCCC1)C(=O)OCC ZINC000045384694 175372203 /nfs/dbraw/zinc/37/22/03/175372203.db2.gz OHBHGKCOCLFDKC-KRWDZBQOSA-N 1 1 298.471 2.962 10 0 CFAEMO CCC[N@@H+](CC)CCCC[C@@](C)(NCC)C(=O)OCC ZINC000045386914 175372581 /nfs/dbraw/zinc/37/25/81/175372581.db2.gz BOGGXHOOFQUSOX-MRXNPFEDSA-N 1 1 286.460 2.820 10 0 CFAEMO CCCN[C@](C)(CCCC[N@@H+](CC)CCC)C(=O)OC ZINC000045386929 175373319 /nfs/dbraw/zinc/37/33/19/175373319.db2.gz YRMOOCFWKBWEIW-MRXNPFEDSA-N 1 1 286.460 2.820 10 0 CFAEMO CCC[NH2+][C@](C)(CCC[N@@H+](C)[C@@H](C)C(C)C)C(=O)[O-] ZINC000045392067 175375791 /nfs/dbraw/zinc/37/57/91/175375791.db2.gz FHOCCTLPXDMRTH-DZGCQCFKSA-N 1 1 272.433 2.586 10 0 CFAEMO CCCC[N@@H+](CCC[C@@](C)(NC)C(=O)OCC)C1CC1 ZINC000045421770 175380388 /nfs/dbraw/zinc/38/03/88/175380388.db2.gz OKAODZJUKMMYKC-MRXNPFEDSA-N 1 1 284.444 2.572 10 0 CFAEMO C[N@@H+](C[C@H](O)COC(C)(C)C)CC1CCCCC1 ZINC000046037428 175390410 /nfs/dbraw/zinc/39/04/10/175390410.db2.gz JFLOGLHZUQJERR-AWEZNQCLSA-N 1 1 257.418 2.675 10 0 CFAEMO Cn1ccnc1C[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000071140813 176038801 /nfs/dbraw/zinc/03/88/01/176038801.db2.gz FHAPBGFFLIJINK-UHFFFAOYSA-N 1 1 253.708 2.502 10 0 CFAEMO CC[C@@H](C)C[N@@H+](C)Cc1ccc(F)cc1C(N)=S ZINC000071265760 176099179 /nfs/dbraw/zinc/09/91/79/176099179.db2.gz FRJVKVZOWSBIBE-SNVBAGLBSA-N 1 1 268.401 2.938 10 0 CFAEMO C[N@@H+](Cc1ccc(F)cc1C(N)=S)CC(C)(C)C ZINC000071266180 176100032 /nfs/dbraw/zinc/10/00/32/176100032.db2.gz VFCDCULXJPKKMP-UHFFFAOYSA-N 1 1 268.401 2.938 10 0 CFAEMO CC[N@H+]1CCC[C@@H]([C@@H](C)NCc2ncccc2C)C1 ZINC000071339616 176130008 /nfs/dbraw/zinc/13/00/08/176130008.db2.gz LYFIBLYHLNNCCS-HUUCEWRRSA-N 1 1 261.413 2.600 10 0 CFAEMO C[N@@H+](CCNc1c(N)ccc(F)c1F)C1CCCC1 ZINC000071377063 176142275 /nfs/dbraw/zinc/14/22/75/176142275.db2.gz BPWBGHSVTSGIJJ-UHFFFAOYSA-N 1 1 269.339 2.833 10 0 CFAEMO C[C@H](c1cccc(Cl)c1)[N@@H+](C)CCn1ccc(N)n1 ZINC000071378288 176142804 /nfs/dbraw/zinc/14/28/04/176142804.db2.gz FWNPAGSCPHTEIY-LLVKDONJSA-N 1 1 278.787 2.812 10 0 CFAEMO CC1(C)CO[C@@H](c2ccccc2Br)[NH2+]1 ZINC000071577303 176205491 /nfs/dbraw/zinc/20/54/91/176205491.db2.gz CIKUOCZCTVDNQX-JTQLQIEISA-N 1 1 256.143 2.846 10 0 CFAEMO CCCOc1ccc([C@H]([C@H](C)N)[NH+]2CCCC2)cc1 ZINC000071594604 176217679 /nfs/dbraw/zinc/21/76/79/176217679.db2.gz RUHSYNBCOXEDAT-BBRMVZONSA-N 1 1 262.397 2.960 10 0 CFAEMO O=C1Nc2ccccc2[C@]12CCC[N@@H+](Cc1ccncc1)C2 ZINC000072171433 176333247 /nfs/dbraw/zinc/33/32/47/176333247.db2.gz WAMBQOJJNFJIIA-GOSISDBHSA-N 1 1 293.370 2.568 10 0 CFAEMO Cc1ccsc1CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000072324642 176369650 /nfs/dbraw/zinc/36/96/50/176369650.db2.gz HBMBWBRSPONVQT-OLZOCXBDSA-N 1 1 250.411 2.725 10 0 CFAEMO CC1(C)CC[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000076697545 177061007 /nfs/dbraw/zinc/06/10/07/177061007.db2.gz IIYDMQNCWMPTCT-JKSUJKDBSA-N 1 1 258.409 2.897 10 0 CFAEMO CCN[C@@H](C)c1csc(CC[NH+](CC)CC)n1 ZINC000076810599 177103260 /nfs/dbraw/zinc/10/32/60/177103260.db2.gz TWQUKYNBZXHBFH-NSHDSACASA-N 1 1 255.431 2.698 10 0 CFAEMO C[C@H]1C[N@@H+](CCc2nc(-c3ccccc3)no2)CCS1 ZINC000077281932 177248526 /nfs/dbraw/zinc/24/85/26/177248526.db2.gz PTWQOXSWHQIIBB-LBPRGKRZSA-N 1 1 289.404 2.716 10 0 CFAEMO CCC(C)(C)NC(=O)C[NH2+][C@H](C)c1ccc(C)o1 ZINC000042213857 270227609 /nfs/dbraw/zinc/22/76/09/270227609.db2.gz ZXWUSWRBRAGRTB-LLVKDONJSA-N 1 1 252.358 2.543 10 0 CFAEMO CC[N@@H+](C[C@H](O)COCc1ccc(Cl)cc1)C1CC1 ZINC000192780369 270234644 /nfs/dbraw/zinc/23/46/44/270234644.db2.gz AIAZDLNWZHCOQJ-HNNXBMFYSA-N 1 1 283.799 2.702 10 0 CFAEMO CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](C)CCC(C)C)C1 ZINC000194128337 270243100 /nfs/dbraw/zinc/24/31/00/270243100.db2.gz JTMFXWPKQMEEHN-KBPBESRZSA-N 1 1 269.433 2.595 10 0 CFAEMO CC[C@@H]1[C@@H](CO)CC[N@H+]1C[C@@H]1CCCCC1(F)F ZINC000395189667 270311880 /nfs/dbraw/zinc/31/18/80/270311880.db2.gz OCGUUOCMFNBJSU-FRRDWIJNSA-N 1 1 261.356 2.905 10 0 CFAEMO Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398812668 270324197 /nfs/dbraw/zinc/32/41/97/270324197.db2.gz 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CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C1(CCOC)CCCC1 ZINC000121803294 376908319 /nfs/dbraw/zinc/90/83/19/376908319.db2.gz LEIUSGAOKAMATF-OAHLLOKOSA-N 1 1 296.455 2.526 10 0 CFAEMO Nc1ccnc(C[N@H+]2CCC[C@@H]2C2CCCCC2)n1 ZINC000122382050 376927087 /nfs/dbraw/zinc/92/70/87/376927087.db2.gz FGQQNOHOEITKEE-CYBMUJFWSA-N 1 1 260.385 2.604 10 0 CFAEMO CCc1nccn1[C@@H]1CCC[N@@H+](Cc2cnoc2C)C1 ZINC000128553163 377345857 /nfs/dbraw/zinc/34/58/57/377345857.db2.gz SALSQAPMQSPULD-CQSZACIVSA-N 1 1 274.368 2.579 10 0 CFAEMO C[C@H]1C[C@@H](N[C@@H]2CCOc3ccccc32)CC[N@H+]1C ZINC000129704493 377463795 /nfs/dbraw/zinc/46/37/95/377463795.db2.gz TYZMBFIITPYLAN-KCQAQPDRSA-N 1 1 260.381 2.583 10 0 CFAEMO C[C@H]1C[C@@H]([NH2+][C@@H]2CCOc3ccccc32)CCN1C ZINC000129704493 377463801 /nfs/dbraw/zinc/46/38/01/377463801.db2.gz TYZMBFIITPYLAN-KCQAQPDRSA-N 1 1 260.381 2.583 10 0 CFAEMO CCc1nccn1[C@H]1CCC[N@H+](CCN2CCCCC2)C1 ZINC000132294769 377825863 /nfs/dbraw/zinc/82/58/63/377825863.db2.gz BNZZDJKGRSWZDR-INIZCTEOSA-N 1 1 290.455 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272.392 2.612 10 0 CFAEMO CC(C)CC[N@@H+](C[C@H](O)COC(C)(C)C)C1CC1 ZINC000047912359 397588698 /nfs/dbraw/zinc/58/86/98/397588698.db2.gz YZWUFTKYNFTUHD-AWEZNQCLSA-N 1 1 257.418 2.673 10 0 CFAEMO C[C@H](Nc1[nH+]ccc2c(N)cccc21)[C@H]1CCCO1 ZINC000663382842 413174669 /nfs/dbraw/zinc/17/46/69/413174669.db2.gz YURLPEPWUKTJSV-IINYFYTJSA-N 1 1 257.337 2.796 10 0 CFAEMO CC(C)(CC[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1)C1CC1 ZINC000406076970 413224028 /nfs/dbraw/zinc/22/40/28/413224028.db2.gz RKBZFFIGOLFPFD-KCQAQPDRSA-N 1 1 251.414 2.906 10 0 CFAEMO CCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N(CC)CC)C12CCCC2 ZINC000246971267 286245367 /nfs/dbraw/zinc/24/53/67/286245367.db2.gz LBTSRSMIJNZPTQ-HUUCEWRRSA-N 1 1 296.455 2.524 10 0 CFAEMO CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@H](C)OC)C12CCCC2 ZINC000248439834 286247082 /nfs/dbraw/zinc/24/70/82/286247082.db2.gz UJSHUEWYYZOCGJ-BFHYXJOUSA-N 1 1 255.402 2.691 10 0 CFAEMO CCCc1nccnc1NCC[N@@H+](C)[C@H](C)CC ZINC000663530292 413263352 /nfs/dbraw/zinc/26/33/52/413263352.db2.gz WXTDNEZBAGUQFB-GFCCVEGCSA-N 1 1 250.390 2.571 10 0 CFAEMO CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)Cc1ccsc1 ZINC000363681590 156192613 /nfs/dbraw/zinc/19/26/13/156192613.db2.gz CDZZHUZTHUDMJV-CABCVRRESA-N 1 1 292.448 2.766 10 0 CFAEMO CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1Cc1ncc(Cl)n1C ZINC000375880899 157299849 /nfs/dbraw/zinc/29/98/49/157299849.db2.gz OQUCOTZLEIVMMH-OLZOCXBDSA-N 1 1 296.846 2.522 10 0 CFAEMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1ccncc1Cl ZINC000350166929 163063965 /nfs/dbraw/zinc/06/39/65/163063965.db2.gz VJCUCYUXYWGAPG-TZMCWYRMSA-N 1 1 279.815 2.794 10 0 CFAEMO O=C(C[N@@H+]1C[C@@H]2CCC[C@H]21)c1c[nH]c2ccccc12 ZINC000350724560 163101800 /nfs/dbraw/zinc/10/18/00/163101800.db2.gz LRXSNHZREPRFIP-XHDPSFHLSA-N 1 1 254.333 2.835 10 0 CFAEMO O=C(C[N@H+]1C[C@@H]2CCC[C@H]21)c1c[nH]c2ccccc12 ZINC000350724560 163101802 /nfs/dbraw/zinc/10/18/02/163101802.db2.gz LRXSNHZREPRFIP-XHDPSFHLSA-N 1 1 254.333 2.835 10 0 CFAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(F)cc1 ZINC000247042152 287228786 /nfs/dbraw/zinc/22/87/86/287228786.db2.gz VIHJGXUKAZNCIW-CABCVRRESA-N 1 1 276.355 2.525 10 0 CFAEMO C[C@H]([NH3+])c1nnc(SCc2ccc(F)cc2)o1 ZINC000005912089 170154340 /nfs/dbraw/zinc/15/43/40/170154340.db2.gz JSDJNGDMZBWLHA-ZETCQYMHSA-N 1 1 253.302 2.521 10 0 CFAEMO CC(C)[C@H](C[NH2+][C@H](C)c1cccc(O)c1)N(C)C ZINC000020145740 171030841 /nfs/dbraw/zinc/03/08/41/171030841.db2.gz DQDOGNOXCGNLDL-DOMZBBRYSA-N 1 1 250.386 2.629 10 0 CFAEMO CC[N@H+]1CCC[C@H]1CNc1ccc(Cl)cc1N ZINC000020384119 171175117 /nfs/dbraw/zinc/17/51/17/171175117.db2.gz YUJYBGBUUZIPAG-NSHDSACASA-N 1 1 253.777 2.818 10 0 CFAEMO COC(C)(C)C[C@@H](C)[NH2+]C[C@H](C(C)C)N1CCCC1 ZINC000020524763 171237651 /nfs/dbraw/zinc/23/76/51/171237651.db2.gz OYDRKTKLOMHGPU-HUUCEWRRSA-N 1 1 270.461 2.900 10 0 CFAEMO Cc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000020909060 171279038 /nfs/dbraw/zinc/27/90/38/171279038.db2.gz YRLKEHXZHHONFA-CQSZACIVSA-N 1 1 299.374 2.826 10 0 CFAEMO Cc1cc(N)ccc1NC(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000022152373 171359518 /nfs/dbraw/zinc/35/95/18/171359518.db2.gz IMKDBHULFAQXQC-CYBMUJFWSA-N 1 1 275.396 2.780 10 0 CFAEMO C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2N)C1 ZINC000022153307 171360365 /nfs/dbraw/zinc/36/03/65/171360365.db2.gz KZKKDKHHXOFXGP-NSHDSACASA-N 1 1 295.814 2.983 10 0 CFAEMO C[C@@H]1CCC[N@@H+](CCCC(=O)Nc2cc(N)ccc2F)C1 ZINC000022154241 171361321 /nfs/dbraw/zinc/36/13/21/171361321.db2.gz MCLGTLAZKTVSGB-GFCCVEGCSA-N 1 1 293.386 2.859 10 0 CFAEMO Cc1ccc(N)cc1NC(=O)CC[N@@H+]1CCC[C@H](C)C1 ZINC000022155840 171362402 /nfs/dbraw/zinc/36/24/02/171362402.db2.gz NEWZNRVMWUFUHP-LBPRGKRZSA-N 1 1 275.396 2.638 10 0 CFAEMO Cc1c(N)cccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000022156295 171362433 /nfs/dbraw/zinc/36/24/33/171362433.db2.gz HPLKCIDYBYBLOZ-YPMHNXCESA-N 1 1 275.396 2.636 10 0 CFAEMO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc(Cl)ccc2N)C1 ZINC000022155638 171362779 /nfs/dbraw/zinc/36/27/79/171362779.db2.gz YFNUEEUSZLMTMS-LLVKDONJSA-N 1 1 295.814 2.983 10 0 CFAEMO C[C@@H](C(=O)Nc1cc(N)ccc1F)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022168959 171367448 /nfs/dbraw/zinc/36/74/48/171367448.db2.gz PLIDJTWDJHRWMU-TUAOUCFPSA-N 1 1 293.386 2.713 10 0 CFAEMO C[C@@H]1C[C@H](C)C[N@H+](CCC(=O)Nc2ccccc2N)C1 ZINC000022169875 171367857 /nfs/dbraw/zinc/36/78/57/171367857.db2.gz KEUFGXNBYSWTSX-BETUJISGSA-N 1 1 275.396 2.575 10 0 CFAEMO COc1ccc2cc([C@H](CN)[NH+]3CCCC3)ccc2c1 ZINC000022171627 171368102 /nfs/dbraw/zinc/36/81/02/171368102.db2.gz PSPUHFINNBCEFH-KRWDZBQOSA-N 1 1 270.376 2.944 10 0 CFAEMO CC(C)[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1N ZINC000022211062 171373551 /nfs/dbraw/zinc/37/35/51/171373551.db2.gz OQNHGQWTKAZZCD-SECBINFHSA-N 1 1 269.776 2.589 10 0 CFAEMO Cc1[nH+]ccn1[C@@H](C)C(=O)Nc1cc(Cl)ccc1N ZINC000022220740 171377786 /nfs/dbraw/zinc/37/77/86/171377786.db2.gz RSEZRWOZZKGJSY-QMMMGPOBSA-N 1 1 278.743 2.627 10 0 CFAEMO COc1ccccc1[C@H](CN)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022221173 171378189 /nfs/dbraw/zinc/37/81/89/171378189.db2.gz JQJMVGYOLPLJQH-GUTXKFCHSA-N 1 1 262.397 2.673 10 0 CFAEMO COc1ccccc1[C@H](CN)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022221173 171378191 /nfs/dbraw/zinc/37/81/91/171378191.db2.gz JQJMVGYOLPLJQH-GUTXKFCHSA-N 1 1 262.397 2.673 10 0 CFAEMO CCN(CC)C[C@@H]([NH3+])c1ccc(OC(C)C)cc1 ZINC000022564551 171391607 /nfs/dbraw/zinc/39/16/07/171391607.db2.gz SNTLXUSOYWPNLE-OAHLLOKOSA-N 1 1 250.386 2.815 10 0 CFAEMO N[C@@H](C[NH+]1CCCCCC1)c1ccc(F)c(F)c1 ZINC000022567006 171392623 /nfs/dbraw/zinc/39/26/23/171392623.db2.gz ZXXFQFKIXGMMOF-AWEZNQCLSA-N 1 1 254.324 2.841 10 0 CFAEMO O=C1NCCCC[C@@H]1[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000035224356 172068848 /nfs/dbraw/zinc/06/88/48/172068848.db2.gz MQECCPGYQDIJTJ-HOCLYGCPSA-N 1 1 284.359 2.627 10 0 CFAEMO CC(C)C[C@H](C[NH+](C)C)NCc1ccccc1F ZINC000037167290 173001643 /nfs/dbraw/zinc/00/16/43/173001643.db2.gz SYARABBHHSCPTO-CQSZACIVSA-N 1 1 252.377 2.892 10 0 CFAEMO CCCCC[N@@H+](C)Cc1cccc(C(N)=S)c1 ZINC000037171666 173004560 /nfs/dbraw/zinc/00/45/60/173004560.db2.gz KUFKIJBUZGNFNL-UHFFFAOYSA-N 1 1 250.411 2.943 10 0 CFAEMO C[N@@H+](Cc1cc(N)ccc1Cl)[C@@H]1CCSC1 ZINC000037174118 173008866 /nfs/dbraw/zinc/00/88/66/173008866.db2.gz FNBFZBPCVKRSQQ-LLVKDONJSA-N 1 1 256.802 2.860 10 0 CFAEMO COC(=O)C[NH2+][C@@H]1CCCC[C@H]1C1CCCCC1 ZINC000037187461 173017968 /nfs/dbraw/zinc/01/79/68/173017968.db2.gz UNQOQMYBXLXNKW-UONOGXRCSA-N 1 1 253.386 2.888 10 0 CFAEMO CO[C@H]1CCCC[C@@H]1NCC[NH+](C(C)C)C(C)C ZINC000037188744 173019090 /nfs/dbraw/zinc/01/90/90/173019090.db2.gz MDAQKSKSKCVZNR-GJZGRUSLSA-N 1 1 256.434 2.652 10 0 CFAEMO C[N@H+]1CCCC[C@@H]1CCSc1ccc(N)cn1 ZINC000037191152 173020314 /nfs/dbraw/zinc/02/03/14/173020314.db2.gz AXVQAYHZHFMFAH-GFCCVEGCSA-N 1 1 251.399 2.630 10 0 CFAEMO CC[N@H+](CC(=O)c1ccc(O)cc1O)C1CCCC1 ZINC000037337466 173138726 /nfs/dbraw/zinc/13/87/26/173138726.db2.gz SBBXDDAKVKROMK-UHFFFAOYSA-N 1 1 263.337 2.545 10 0 CFAEMO CC[N@@H+](CC(=O)c1ccc(O)cc1O)C1CCCC1 ZINC000037337466 173138727 /nfs/dbraw/zinc/13/87/27/173138727.db2.gz SBBXDDAKVKROMK-UHFFFAOYSA-N 1 1 263.337 2.545 10 0 CFAEMO CCOc1ccccc1C(=O)C[N@H+](C)[C@H](C)C1CC1 ZINC000037338798 173140352 /nfs/dbraw/zinc/14/03/52/173140352.db2.gz OXJZIJKOTYPHAG-GFCCVEGCSA-N 1 1 261.365 2.998 10 0 CFAEMO CCOc1ccccc1C(=O)C[N@@H+](C)[C@H](C)C1CC1 ZINC000037338798 173140354 /nfs/dbraw/zinc/14/03/54/173140354.db2.gz OXJZIJKOTYPHAG-GFCCVEGCSA-N 1 1 261.365 2.998 10 0 CFAEMO CCN(CC)[C@](C)(C[NH3+])CCc1ccc(OC)cc1 ZINC000037497415 173236503 /nfs/dbraw/zinc/23/65/03/173236503.db2.gz LBPKIQRWJWIXDW-INIZCTEOSA-N 1 1 264.413 2.687 10 0 CFAEMO O=C([C@H]1CSC[NH2+]1)N1CCC[C@@H]1c1ccccc1Cl ZINC000037817173 173767104 /nfs/dbraw/zinc/76/71/04/173767104.db2.gz OCKHEOFYJXSREX-CHWSQXEVSA-N 1 1 296.823 2.666 10 0 CFAEMO CCC[N@@H+](C)[C@@](C)(CN)CCc1ccc(OC)cc1 ZINC000037846507 173801196 /nfs/dbraw/zinc/80/11/96/173801196.db2.gz PHMJSCSFFSOQNX-MRXNPFEDSA-N 1 1 264.413 2.687 10 0 CFAEMO CCCN(C)[C@@](C)(C[NH3+])CCc1ccc(OC)cc1 ZINC000037846507 173801198 /nfs/dbraw/zinc/80/11/98/173801198.db2.gz PHMJSCSFFSOQNX-MRXNPFEDSA-N 1 1 264.413 2.687 10 0 CFAEMO COCc1nc(C[NH2+]C[C@H]2CCC3(CCCC3)O2)cs1 ZINC000655864393 414485743 /nfs/dbraw/zinc/48/57/43/414485743.db2.gz XZDRIZJOEUFIDG-CYBMUJFWSA-N 1 1 296.436 2.871 10 0 CFAEMO C[N@H+](Cc1noc(CN)n1)C1CC(C)(C)CC(C)(C)C1 ZINC000662302852 414500412 /nfs/dbraw/zinc/50/04/12/414500412.db2.gz OMYLXSGSNZQUDM-UHFFFAOYSA-N 1 1 280.416 2.565 10 0 CFAEMO C[N@@H+](Cc1noc(CN)n1)C1CC(C)(C)CC(C)(C)C1 ZINC000662302852 414500415 /nfs/dbraw/zinc/50/04/15/414500415.db2.gz OMYLXSGSNZQUDM-UHFFFAOYSA-N 1 1 280.416 2.565 10 0 CFAEMO CCOC(=O)[C@@H](CCSC)[NH2+]C1CCCCC1 ZINC000037972263 173924669 /nfs/dbraw/zinc/92/46/69/173924669.db2.gz MVAFHNMQBQLCHY-GFCCVEGCSA-N 1 1 259.415 2.594 10 0 CFAEMO Cc1nccc(C[NH2+]Cc2ccc(Br)s2)n1 ZINC000037997796 173959946 /nfs/dbraw/zinc/95/99/46/173959946.db2.gz WXMJZUOIWDEYCD-UHFFFAOYSA-N 1 1 298.209 2.899 10 0 CFAEMO COc1ccc(F)cc1C[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032814 174029848 /nfs/dbraw/zinc/02/98/48/174029848.db2.gz GPIRWYOFOQBEJJ-UHFFFAOYSA-N 1 1 286.350 2.975 10 0 CFAEMO COc1ccc(F)cc1C[N@H+]1CCc2c(N)cccc2C1 ZINC000038032814 174029849 /nfs/dbraw/zinc/02/98/49/174029849.db2.gz GPIRWYOFOQBEJJ-UHFFFAOYSA-N 1 1 286.350 2.975 10 0 CFAEMO OC[C@@H]([NH2+]Cc1cccs1)c1ccc(F)cc1F ZINC000038123807 174130162 /nfs/dbraw/zinc/13/01/62/174130162.db2.gz OZBKZQLQDRYRII-CYBMUJFWSA-N 1 1 269.316 2.850 10 0 CFAEMO S=C1N=NC(C2CC[NH+](Cc3ccccc3)CC2)O1 ZINC000038527041 174143979 /nfs/dbraw/zinc/14/39/79/174143979.db2.gz ZZQTZWGJDZQYKX-UHFFFAOYSA-N 1 1 275.377 2.738 10 0 CFAEMO C[N@H+]1CCC[C@@H]1CCOc1ccc(Br)cc1N ZINC000040240442 174212591 /nfs/dbraw/zinc/21/25/91/174212591.db2.gz WGNCXBVBYZJULF-LLVKDONJSA-N 1 1 299.212 2.894 10 0 CFAEMO O[C@@H](Cc1[nH]cc[nH+]1)c1ccc(C(F)(F)F)cc1 ZINC000040261532 174217139 /nfs/dbraw/zinc/21/71/39/174217139.db2.gz MBEPBUVQLKSGRA-JTQLQIEISA-N 1 1 256.227 2.705 10 0 CFAEMO O[C@@H](Cc1[nH]cc[nH+]1)c1cc(Br)ccc1F ZINC000040261524 174217420 /nfs/dbraw/zinc/21/74/20/174217420.db2.gz UVCFLYAHALVAID-JTQLQIEISA-N 1 1 285.116 2.587 10 0 CFAEMO CC[N@@H+]1CCC[C@H](N[C@@H]2CCOc3ccc(OC)cc32)C1 ZINC000040502935 174298593 /nfs/dbraw/zinc/29/85/93/174298593.db2.gz FMVSKXLGKMDRMO-XJKSGUPXSA-N 1 1 290.407 2.593 10 0 CFAEMO CC[N@H+]1CCC[C@H](N[C@@H]2CCOc3ccc(OC)cc32)C1 ZINC000040502935 174298594 /nfs/dbraw/zinc/29/85/94/174298594.db2.gz FMVSKXLGKMDRMO-XJKSGUPXSA-N 1 1 290.407 2.593 10 0 CFAEMO Cc1cc(C)c(C(N)=S)c(N(C)[C@H](C)C2CC2)[nH+]1 ZINC000040510358 174304616 /nfs/dbraw/zinc/30/46/16/174304616.db2.gz FTSQCTSQPJKFKG-SNVBAGLBSA-N 1 1 263.410 2.567 10 0 CFAEMO CC[C@@H]1CCCN1c1[nH+]c(C)cc(C)c1C(N)=S ZINC000040514899 174306448 /nfs/dbraw/zinc/30/64/48/174306448.db2.gz MJUBRJHKZCDGKU-LLVKDONJSA-N 1 1 263.410 2.711 10 0 CFAEMO CCOC1CC[NH+]([C@@H](CN)c2ccc(C)c(C)c2)CC1 ZINC000040678585 174374689 /nfs/dbraw/zinc/37/46/89/174374689.db2.gz RUAUASAXAIRLTG-KRWDZBQOSA-N 1 1 276.424 2.804 10 0 CFAEMO C[N@H+]1CCC[C@@H](Nc2ccc(N)cc2C(F)(F)F)C1 ZINC000040715813 174382793 /nfs/dbraw/zinc/38/27/93/174382793.db2.gz ZXDGDDCSLZIGAJ-SNVBAGLBSA-N 1 1 273.302 2.794 10 0 CFAEMO C[N@H+]1CCC[C@@H](n2c(N)nc3cc(Cl)ccc32)C1 ZINC000040715939 174383690 /nfs/dbraw/zinc/38/36/90/174383690.db2.gz GURSEGYZDXWWFL-SNVBAGLBSA-N 1 1 264.760 2.539 10 0 CFAEMO Cc1cc(N)ccc1NC(=O)CCC[N@@H+]1CC[C@H](C)C1 ZINC000040716862 174384181 /nfs/dbraw/zinc/38/41/81/174384181.db2.gz RNSSKBIWZPTOQR-LBPRGKRZSA-N 1 1 275.396 2.638 10 0 CFAEMO Cn1ccnc1[C@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000041042422 174463780 /nfs/dbraw/zinc/46/37/80/174463780.db2.gz DAOFZLXDUDUZLX-SNVBAGLBSA-N 1 1 256.136 2.775 10 0 CFAEMO CCC[NH2+][C@H](c1nccn1C)c1ccccc1OC ZINC000041112197 174482634 /nfs/dbraw/zinc/48/26/34/174482634.db2.gz KNGYEEGMHHDEEN-AWEZNQCLSA-N 1 1 259.353 2.518 10 0 CFAEMO CCCn1ccnc1[C@H]([NH2+]C)c1cc(OC)cc(OC)c1 ZINC000041113487 174483415 /nfs/dbraw/zinc/48/34/15/174483415.db2.gz WJEIXWUAVVUILJ-OAHLLOKOSA-N 1 1 289.379 2.619 10 0 CFAEMO CCN(CCO)c1ccc([NH2+]CC(C)(C)C)cc1 ZINC000041120910 174486667 /nfs/dbraw/zinc/48/66/67/174486667.db2.gz RIRIFFDIBKZXAD-UHFFFAOYSA-N 1 1 250.386 2.963 10 0 CFAEMO Cc1cccc([C@H](CN)[N@@H+](C)[C@@H]2CCSC2)c1C ZINC000043314609 175004661 /nfs/dbraw/zinc/00/46/61/175004661.db2.gz DAJWRRLKQOKOFK-HIFRSBDPSA-N 1 1 264.438 2.741 10 0 CFAEMO Cc1cccc([C@H](CN)[N@H+](C)[C@@H]2CCSC2)c1C ZINC000043314609 175004662 /nfs/dbraw/zinc/00/46/62/175004662.db2.gz DAJWRRLKQOKOFK-HIFRSBDPSA-N 1 1 264.438 2.741 10 0 CFAEMO Cc1cccc([C@H](CN)[N@H+](C)CCc2ccncc2)c1C ZINC000043314726 175004666 /nfs/dbraw/zinc/00/46/66/175004666.db2.gz FJPGCUSWGIJGNV-SFHVURJKSA-N 1 1 283.419 2.873 10 0 CFAEMO Cc1cccc([C@H](CN)[N@@H+](C)CCc2ccncc2)c1C ZINC000043314726 175004667 /nfs/dbraw/zinc/00/46/67/175004667.db2.gz FJPGCUSWGIJGNV-SFHVURJKSA-N 1 1 283.419 2.873 10 0 CFAEMO Cc1cccc([C@@H](CN)[N@H+](C)CCc2ccccn2)c1C ZINC000043314516 175004814 /nfs/dbraw/zinc/00/48/14/175004814.db2.gz MQULFPVQEQCLTF-GOSISDBHSA-N 1 1 283.419 2.873 10 0 CFAEMO Cc1cccc([C@@H](CN)[N@@H+](C)CCc2ccccn2)c1C ZINC000043314516 175004815 /nfs/dbraw/zinc/00/48/15/175004815.db2.gz MQULFPVQEQCLTF-GOSISDBHSA-N 1 1 283.419 2.873 10 0 CFAEMO CC[C@H](N)[C@H](c1ccco1)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043336235 175011840 /nfs/dbraw/zinc/01/18/40/175011840.db2.gz SAOBDZVWPGKSBE-DUVNUKRYSA-N 1 1 280.412 2.805 10 0 CFAEMO CC[C@H](N)[C@H](c1ccco1)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043336235 175011842 /nfs/dbraw/zinc/01/18/42/175011842.db2.gz SAOBDZVWPGKSBE-DUVNUKRYSA-N 1 1 280.412 2.805 10 0 CFAEMO CC[C@H](N)[C@H](c1ccco1)[N@H+](CCO)C1CCCCC1 ZINC000043336139 175012113 /nfs/dbraw/zinc/01/21/13/175012113.db2.gz PGHXHFBQXRWWKS-GOEBONIOSA-N 1 1 280.412 2.685 10 0 CFAEMO CC[C@H](N)[C@H](c1ccco1)[N@@H+](CCO)C1CCCCC1 ZINC000043336139 175012114 /nfs/dbraw/zinc/01/21/14/175012114.db2.gz PGHXHFBQXRWWKS-GOEBONIOSA-N 1 1 280.412 2.685 10 0 CFAEMO C[C@H](N)[C@H](c1ccccn1)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000043339527 175013682 /nfs/dbraw/zinc/01/36/82/175013682.db2.gz TUISOYPMKJNRKA-LJIGWXMPSA-N 1 1 273.424 2.982 10 0 CFAEMO C[C@H](N)[C@H](c1ccccn1)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000043339527 175013683 /nfs/dbraw/zinc/01/36/83/175013683.db2.gz TUISOYPMKJNRKA-LJIGWXMPSA-N 1 1 273.424 2.982 10 0 CFAEMO CCC(CC)[N@@H+](CCOC)[C@@H](c1ccccn1)[C@H](N)CC ZINC000043341023 175014993 /nfs/dbraw/zinc/01/49/93/175014993.db2.gz FRACWHZVUBZZKS-NVXWUHKLSA-N 1 1 293.455 2.997 10 0 CFAEMO CCC(CC)[N@H+](CCOC)[C@@H](c1ccccn1)[C@H](N)CC ZINC000043341023 175014995 /nfs/dbraw/zinc/01/49/95/175014995.db2.gz FRACWHZVUBZZKS-NVXWUHKLSA-N 1 1 293.455 2.997 10 0 CFAEMO CC[C@@H](N)[C@H](c1ccncc1)[NH+]1CCC(CC)CC1 ZINC000043354069 175021419 /nfs/dbraw/zinc/02/14/19/175021419.db2.gz MYYFLQVTCYKUFP-CVEARBPZSA-N 1 1 261.413 2.982 10 0 CFAEMO CC[C@H](N)[C@@H](c1ccc(C)o1)[N@@H+]1CCCC[C@@H]1CCO ZINC000043363838 175024918 /nfs/dbraw/zinc/02/49/18/175024918.db2.gz PJQYBULPDAETHE-YCPHGPKFSA-N 1 1 280.412 2.603 10 0 CFAEMO CC[C@H](N)[C@@H](c1ccc(C)o1)[N@H+]1CCCC[C@@H]1CCO ZINC000043363838 175024919 /nfs/dbraw/zinc/02/49/19/175024919.db2.gz PJQYBULPDAETHE-YCPHGPKFSA-N 1 1 280.412 2.603 10 0 CFAEMO Cc1ccc([C@@H]([C@H](C)N)[N@H+](CCO)C2CCCCC2)o1 ZINC000043365192 175026455 /nfs/dbraw/zinc/02/64/55/175026455.db2.gz SDCWMOUTEISNBD-XJKSGUPXSA-N 1 1 280.412 2.603 10 0 CFAEMO Cc1ccc([C@@H]([C@H](C)N)[N@@H+](CCO)C2CCCCC2)o1 ZINC000043365192 175026456 /nfs/dbraw/zinc/02/64/56/175026456.db2.gz SDCWMOUTEISNBD-XJKSGUPXSA-N 1 1 280.412 2.603 10 0 CFAEMO CC(C)CCc1noc([C@@H]([NH3+])Cc2ccccc2)n1 ZINC000043373926 175029802 /nfs/dbraw/zinc/02/98/02/175029802.db2.gz ABUOKNYWJWDCLP-ZDUSSCGKSA-N 1 1 259.353 2.901 10 0 CFAEMO CC[C@@H]([NH3+])c1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000043391611 175034317 /nfs/dbraw/zinc/03/43/17/175034317.db2.gz JEYHJSBAYXIQSN-MRVPVSSYSA-N 1 1 257.215 2.564 10 0 CFAEMO CCO[C@@H]1CCC[N@@H+]([C@@H](CN)c2cc(C)cc(C)c2)C1 ZINC000043394471 175034887 /nfs/dbraw/zinc/03/48/87/175034887.db2.gz ZJWMXRXOMJJJLM-SJORKVTESA-N 1 1 276.424 2.804 10 0 CFAEMO CCO[C@@H]1CCC[N@H+]([C@@H](CN)c2cc(C)cc(C)c2)C1 ZINC000043394471 175034888 /nfs/dbraw/zinc/03/48/88/175034888.db2.gz ZJWMXRXOMJJJLM-SJORKVTESA-N 1 1 276.424 2.804 10 0 CFAEMO CC[N@H+](C[C@@H]1CCCO1)[C@@H](CN)c1cc(C)cc(C)c1 ZINC000043394373 175035231 /nfs/dbraw/zinc/03/52/31/175035231.db2.gz RPAOLVHBFCKZND-IRXDYDNUSA-N 1 1 276.424 2.804 10 0 CFAEMO CC[N@@H+](C[C@@H]1CCCO1)[C@@H](CN)c1cc(C)cc(C)c1 ZINC000043394373 175035233 /nfs/dbraw/zinc/03/52/33/175035233.db2.gz RPAOLVHBFCKZND-IRXDYDNUSA-N 1 1 276.424 2.804 10 0 CFAEMO CC(C)C[N@@H+](CCC(N)=S)Cc1cccc(F)c1 ZINC000043418184 175038064 /nfs/dbraw/zinc/03/80/64/175038064.db2.gz YMQVVZIBFBOVNA-UHFFFAOYSA-N 1 1 268.401 2.960 10 0 CFAEMO NCC1([N@H+]2CCO[C@H]3CCCC[C@@H]32)CCCCCC1 ZINC000043424910 175040204 /nfs/dbraw/zinc/04/02/04/175040204.db2.gz MRHXOJUKLDSVNB-GJZGRUSLSA-N 1 1 266.429 2.682 10 0 CFAEMO [NH3+]CC1([N@@H+]2CCO[C@H]3CCCC[C@@H]32)CCCCCC1 ZINC000043424910 175040201 /nfs/dbraw/zinc/04/02/01/175040201.db2.gz MRHXOJUKLDSVNB-GJZGRUSLSA-N 1 1 266.429 2.682 10 0 CFAEMO NCC1([N@@H+]2CCO[C@H]3CCCC[C@@H]32)CCCCCC1 ZINC000043424910 175040203 /nfs/dbraw/zinc/04/02/03/175040203.db2.gz MRHXOJUKLDSVNB-GJZGRUSLSA-N 1 1 266.429 2.682 10 0 CFAEMO Cc1cc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)ccc1N ZINC000043428134 175041479 /nfs/dbraw/zinc/04/14/79/175041479.db2.gz ZCAVWWKSODVYTR-HOTGVXAUSA-N 1 1 260.381 2.721 10 0 CFAEMO CCOc1ccc2nc(SC[C@H]3CCC[NH2+]3)[nH]c2c1 ZINC000043497207 175058267 /nfs/dbraw/zinc/05/82/67/175058267.db2.gz WJVNTVUZZHKFKI-SNVBAGLBSA-N 1 1 277.393 2.806 10 0 CFAEMO CCC[NH2+][C@@H]1CCCCCC[C@H]1N1CCN(CC)CC1 ZINC000043806198 175108222 /nfs/dbraw/zinc/10/82/22/175108222.db2.gz BIXOYYJJRAASIB-IAGOWNOFSA-N 1 1 281.488 2.715 10 0 CFAEMO CCN[C@@H](c1ccc(OC)cc1)[C@H](C)[NH+]1CCCC1 ZINC000043807410 175108290 /nfs/dbraw/zinc/10/82/90/175108290.db2.gz NWPRQXIQSXSGAQ-XJKSGUPXSA-N 1 1 262.397 2.830 10 0 CFAEMO CN[C@@H](C[NH+]1CCC(C)CC1)c1ccc(OC)cc1 ZINC000043806375 175108444 /nfs/dbraw/zinc/10/84/44/175108444.db2.gz ILNNTYSXALRMEP-INIZCTEOSA-N 1 1 262.397 2.688 10 0 CFAEMO CC[NH+](CC)[C@@H]1CCc2cc(OC)ccc2[C@@H]1NC ZINC000043809090 175109650 /nfs/dbraw/zinc/10/96/50/175109650.db2.gz YLZAJOQOLUWOSD-CVEARBPZSA-N 1 1 262.397 2.612 10 0 CFAEMO CCN[C@@H](C[NH+](CC)CC)c1ccc2c(c1)OCCCO2 ZINC000043809352 175109681 /nfs/dbraw/zinc/10/96/81/175109681.db2.gz LLAPJYYKQHBERF-HNNXBMFYSA-N 1 1 292.423 2.840 10 0 CFAEMO CCC[NH2+][C@@H](CN1CCN(C)CC1)c1ccc(CC)cc1 ZINC000043811055 175110349 /nfs/dbraw/zinc/11/03/49/175110349.db2.gz IUBAWAGSHAGQQF-SFHVURJKSA-N 1 1 289.467 2.537 10 0 CFAEMO CN[C@@H](C[NH+]1CCCCCC1)c1cc(OC)ccc1OC ZINC000043812051 175110619 /nfs/dbraw/zinc/11/06/19/175110619.db2.gz AIZMVHTZNABZPC-INIZCTEOSA-N 1 1 292.423 2.840 10 0 CFAEMO CCOc1ccc([C@H](C[N@H+](C)C(C)C)NC)cc1 ZINC000043813147 175110672 /nfs/dbraw/zinc/11/06/72/175110672.db2.gz BUUULMQTRXJLAN-HNNXBMFYSA-N 1 1 250.386 2.686 10 0 CFAEMO CCOc1ccc([C@H](C[N@@H+](C)C(C)C)NC)cc1 ZINC000043813147 175110674 /nfs/dbraw/zinc/11/06/74/175110674.db2.gz BUUULMQTRXJLAN-HNNXBMFYSA-N 1 1 250.386 2.686 10 0 CFAEMO CCC[NH+](CCC)[C@H]1COc2ccccc2[C@@H]1NC ZINC000043814720 175111976 /nfs/dbraw/zinc/11/19/76/175111976.db2.gz NWHCEIOYYYBTML-HOCLYGCPSA-N 1 1 262.397 2.830 10 0 CFAEMO CCN[C@@H]1CCC2(C[C@@H]1[NH+]1CCCCCCC1)OCCO2 ZINC000043819242 175113662 /nfs/dbraw/zinc/11/36/62/175113662.db2.gz ICAHUEFQTIJZQT-CVEARBPZSA-N 1 1 296.455 2.526 10 0 CFAEMO CCOc1ccc([C@@H](C)[NH2+]C)cc1CN(C)C1CC1 ZINC000043822937 175114502 /nfs/dbraw/zinc/11/45/02/175114502.db2.gz WCVSHVRDANKZPL-GFCCVEGCSA-N 1 1 262.397 2.960 10 0 CFAEMO CCOc1ccccc1[C@@H](C[N@H+](CC)C1CC1)NC ZINC000043821446 175114720 /nfs/dbraw/zinc/11/47/20/175114720.db2.gz FQETZBNHXMEYKS-OAHLLOKOSA-N 1 1 262.397 2.830 10 0 CFAEMO CCOc1ccccc1[C@@H](C[N@@H+](CC)C1CC1)NC ZINC000043821446 175114721 /nfs/dbraw/zinc/11/47/21/175114721.db2.gz FQETZBNHXMEYKS-OAHLLOKOSA-N 1 1 262.397 2.830 10 0 CFAEMO CN[C@H]1c2ccc(OC)cc2CC[C@H]1[N@@H+](C)CC(C)C ZINC000043886681 175116472 /nfs/dbraw/zinc/11/64/72/175116472.db2.gz CFFAIHNEFMCMQD-SJORKVTESA-N 1 1 276.424 2.858 10 0 CFAEMO C[NH2+][C@H]1c2ccc(OC)cc2CC[C@H]1N(C)CC(C)C ZINC000043886681 175116473 /nfs/dbraw/zinc/11/64/73/175116473.db2.gz CFFAIHNEFMCMQD-SJORKVTESA-N 1 1 276.424 2.858 10 0 CFAEMO CCN[C@H](C[N@H+](C)CC(C)C)c1cccc(OC)c1 ZINC000043886820 175117884 /nfs/dbraw/zinc/11/78/84/175117884.db2.gz HCMKIEXDRZXNNN-MRXNPFEDSA-N 1 1 264.413 2.934 10 0 CFAEMO CCN[C@H](C[N@@H+](C)CC(C)C)c1cccc(OC)c1 ZINC000043886820 175117885 /nfs/dbraw/zinc/11/78/85/175117885.db2.gz HCMKIEXDRZXNNN-MRXNPFEDSA-N 1 1 264.413 2.934 10 0 CFAEMO CN[C@@H](C[N@@H+](C)[C@@H](C)C1CC1)c1ccc(OC)cc1OC ZINC000043894632 175119141 /nfs/dbraw/zinc/11/91/41/175119141.db2.gz MIAGZHPHIMFTNR-LRDDRELGSA-N 1 1 292.423 2.695 10 0 CFAEMO C[NH2+][C@@H](CN(C)[C@@H](C)C1CC1)c1ccc(OC)cc1OC ZINC000043894632 175119142 /nfs/dbraw/zinc/11/91/42/175119142.db2.gz MIAGZHPHIMFTNR-LRDDRELGSA-N 1 1 292.423 2.695 10 0 CFAEMO CCC(CC)[N@@H+](C)C[C@H](NC)c1ccc2c(c1)OCCO2 ZINC000043895858 175119346 /nfs/dbraw/zinc/11/93/46/175119346.db2.gz FXIJEWFXFFFIKF-HNNXBMFYSA-N 1 1 292.423 2.839 10 0 CFAEMO CCC(CC)N(C)C[C@H]([NH2+]C)c1ccc2c(c1)OCCO2 ZINC000043895858 175119348 /nfs/dbraw/zinc/11/93/48/175119348.db2.gz FXIJEWFXFFFIKF-HNNXBMFYSA-N 1 1 292.423 2.839 10 0 CFAEMO CCC[NH2+][C@@H]1CCC2(C[C@H]1N(C)C(CC)CC)OCCO2 ZINC000043896195 175119490 /nfs/dbraw/zinc/11/94/90/175119490.db2.gz NKSGOHAWPDTVMZ-HZPDHXFCSA-N 1 1 298.471 2.771 10 0 CFAEMO CCN[C@@H]1c2ccccc2OC[C@@H]1[N@@H+]1CCC[C@@H]1C ZINC000043903373 175122545 /nfs/dbraw/zinc/12/25/45/175122545.db2.gz GSJGZXMWYVQUEI-DUVNUKRYSA-N 1 1 260.381 2.583 10 0 CFAEMO CCN[C@@H]1c2ccccc2OC[C@@H]1[N@H+]1CCC[C@@H]1C ZINC000043903373 175122546 /nfs/dbraw/zinc/12/25/46/175122546.db2.gz GSJGZXMWYVQUEI-DUVNUKRYSA-N 1 1 260.381 2.583 10 0 CFAEMO CCCC[N@H+](C[C@@H](NC)c1ccc2c(c1)OCO2)C1CC1 ZINC000043968075 175128859 /nfs/dbraw/zinc/12/88/59/175128859.db2.gz CPCTVDZZTQFGBZ-OAHLLOKOSA-N 1 1 290.407 2.940 10 0 CFAEMO CCCC[N@@H+](C[C@@H](NC)c1ccc2c(c1)OCO2)C1CC1 ZINC000043968075 175128861 /nfs/dbraw/zinc/12/88/61/175128861.db2.gz CPCTVDZZTQFGBZ-OAHLLOKOSA-N 1 1 290.407 2.940 10 0 CFAEMO CC[C@@H]([C@H]([NH2+]C)c1ccccc1)N1CCN(C2CC2)CC1 ZINC000043967612 175129219 /nfs/dbraw/zinc/12/92/19/175129219.db2.gz QKCDNXQTMFMXPB-ZWKOTPCHSA-N 1 1 287.451 2.506 10 0 CFAEMO CC[C@H]([C@@H]([NH2+]C)c1ccccc1)N1CCN(C2CC2)CC1 ZINC000043967618 175129352 /nfs/dbraw/zinc/12/93/52/175129352.db2.gz QKCDNXQTMFMXPB-MSOLQXFVSA-N 1 1 287.451 2.506 10 0 CFAEMO CCOc1ccc([C@H](C)[NH2+]C)cc1CN(CC)CCOC ZINC000043968588 175129457 /nfs/dbraw/zinc/12/94/57/175129457.db2.gz VSYIJKKNFVYMII-AWEZNQCLSA-N 1 1 294.439 2.834 10 0 CFAEMO CN[C@@H](c1ccccc1)[C@H](C(C)C)[N@H+](C)[C@@H](C)COC ZINC000043969081 175130542 /nfs/dbraw/zinc/13/05/42/175130542.db2.gz KKEWICGZZMATKI-XIRDDKMYSA-N 1 1 278.440 2.938 10 0 CFAEMO CN[C@@H](c1ccccc1)[C@H](C(C)C)[N@@H+](C)[C@@H](C)COC ZINC000043969081 175130543 /nfs/dbraw/zinc/13/05/43/175130543.db2.gz KKEWICGZZMATKI-XIRDDKMYSA-N 1 1 278.440 2.938 10 0 CFAEMO CCC[C@H]([NH2+]C)[C@H](CC)N(CCOC)CC(C)C ZINC000043970295 175130918 /nfs/dbraw/zinc/13/09/18/175130918.db2.gz IYHFQMGJUNLXIC-GJZGRUSLSA-N 1 1 258.450 2.758 10 0 CFAEMO CC[NH2+][C@@H]1CCCC[C@@H]1N(CCOC)CC(C)C ZINC000043970439 175131357 /nfs/dbraw/zinc/13/13/57/175131357.db2.gz PDHALOTXUARYMX-CABCVRRESA-N 1 1 256.434 2.512 10 0 CFAEMO CN[C@H]1c2ccccc2CC[C@H]1[N@H+](CCOC)CC(C)C ZINC000043970323 175131496 /nfs/dbraw/zinc/13/14/96/175131496.db2.gz SDLCVUDCSWPKIR-MSOLQXFVSA-N 1 1 290.451 2.866 10 0 CFAEMO CN[C@H]1c2ccccc2CC[C@H]1[N@@H+](CCOC)CC(C)C ZINC000043970323 175131498 /nfs/dbraw/zinc/13/14/98/175131498.db2.gz SDLCVUDCSWPKIR-MSOLQXFVSA-N 1 1 290.451 2.866 10 0 CFAEMO CCN[C@@H]1CCC2(C[C@@H]1[N@H+](CC(C)C)C(C)C)OCCO2 ZINC000043973952 175132866 /nfs/dbraw/zinc/13/28/66/175132866.db2.gz DTLCKMBYPUTGBL-CVEARBPZSA-N 1 1 298.471 2.627 10 0 CFAEMO CCN[C@@H]1CCC2(C[C@@H]1[N@@H+](CC(C)C)C(C)C)OCCO2 ZINC000043973952 175132867 /nfs/dbraw/zinc/13/28/67/175132867.db2.gz DTLCKMBYPUTGBL-CVEARBPZSA-N 1 1 298.471 2.627 10 0 CFAEMO CCC[NH2+][C@H](C)[C@@H](C)N(CCOC)C(CC)CC ZINC000043977298 175133228 /nfs/dbraw/zinc/13/32/28/175133228.db2.gz JKSFEXOPONDUED-ZIAGYGMSSA-N 1 1 258.450 2.900 10 0 CFAEMO C[NH2+][C@H]1CCCCC[C@H]1N(CCOC)[C@@H](C)C1CC1 ZINC000043977372 175133329 /nfs/dbraw/zinc/13/33/29/175133329.db2.gz KHODFQKIIDKYGX-CWRNSKLLSA-N 1 1 268.445 2.654 10 0 CFAEMO CCC[NH+]1CCN([C@@H](CC)[C@@H](O)c2ccccc2)CC1 ZINC000044114208 175141482 /nfs/dbraw/zinc/14/14/82/175141482.db2.gz ULJPFFJIPBCSAQ-IRXDYDNUSA-N 1 1 276.424 2.526 10 0 CFAEMO CC(C)Oc1ccc([C@@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000044119363 175142028 /nfs/dbraw/zinc/14/20/28/175142028.db2.gz NDWFIUZBSDURTN-HNNXBMFYSA-N 1 1 251.370 2.847 10 0 CFAEMO CC(C)Oc1ccc([C@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000044119367 175142393 /nfs/dbraw/zinc/14/23/93/175142393.db2.gz NDWFIUZBSDURTN-OAHLLOKOSA-N 1 1 251.370 2.847 10 0 CFAEMO CCCC[N@@H+](C)C[C@@H](O)c1ccccc1OCC ZINC000044123031 175143444 /nfs/dbraw/zinc/14/34/44/175143444.db2.gz PPGLBJCOYHFHLC-CQSZACIVSA-N 1 1 251.370 2.851 10 0 CFAEMO CCCOc1ccc([C@@H](O)C[N@@H+](C)CCC)cc1 ZINC000044127555 175144318 /nfs/dbraw/zinc/14/43/18/175144318.db2.gz CHPAYKASAQRANO-HNNXBMFYSA-N 1 1 251.370 2.851 10 0 CFAEMO CCC[N@@H+](C[C@@H](O)c1ccc2c(c1)OCCCO2)C1CC1 ZINC000044130882 175144918 /nfs/dbraw/zinc/14/49/18/175144918.db2.gz YQCOICNYAVJNCB-OAHLLOKOSA-N 1 1 291.391 2.756 10 0 CFAEMO Cc1ccc([C@@H](O)C[N@H+](C)Cc2ccccn2)c(C)c1 ZINC000044133454 175145395 /nfs/dbraw/zinc/14/53/95/175145395.db2.gz JRYBBLRDPDQXCF-KRWDZBQOSA-N 1 1 270.376 2.864 10 0 CFAEMO Cc1ccc([C@@H](O)[C@@H](C)[N@@H+](C)C2CCOCC2)cc1 ZINC000044160208 175147286 /nfs/dbraw/zinc/14/72/86/175147286.db2.gz WUCQPVVHPUQKPN-CJNGLKHVSA-N 1 1 263.381 2.528 10 0 CFAEMO CC[C@H]([C@H](O)c1ccccc1)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000044165499 175147803 /nfs/dbraw/zinc/14/78/03/175147803.db2.gz UWQARSIQZQFVSX-GVDBMIGSSA-N 1 1 277.408 3.000 10 0 CFAEMO CC[C@@H]([C@@H](O)c1ccccc1)[N@@H+](CC)[C@@H](C)COC ZINC000044165096 175148108 /nfs/dbraw/zinc/14/81/08/175148108.db2.gz DFVROQFOURXLKV-BPUTZDHNSA-N 1 1 265.397 2.855 10 0 CFAEMO Cc1ccc([C@@H](O)C[N@H+](CCN(C)C)CC(C)C)cc1C ZINC000044164497 175148177 /nfs/dbraw/zinc/14/81/77/175148177.db2.gz RMBDGLRDXICWBE-SFHVURJKSA-N 1 1 292.467 2.856 10 0 CFAEMO Cc1ccc([C@@H](O)CN(CC[NH+](C)C)CC(C)C)cc1C ZINC000044164497 175148178 /nfs/dbraw/zinc/14/81/78/175148178.db2.gz RMBDGLRDXICWBE-SFHVURJKSA-N 1 1 292.467 2.856 10 0 CFAEMO Cc1ccc([C@H](O)C[N@H+](CCN(C)C)CC(C)C)cc1 ZINC000044164382 175148231 /nfs/dbraw/zinc/14/82/31/175148231.db2.gz MCZSMSHKNKNTQG-QGZVFWFLSA-N 1 1 278.440 2.548 10 0 CFAEMO Cc1ccc([C@H](O)CN(CC[NH+](C)C)CC(C)C)cc1 ZINC000044164382 175148233 /nfs/dbraw/zinc/14/82/33/175148233.db2.gz MCZSMSHKNKNTQG-QGZVFWFLSA-N 1 1 278.440 2.548 10 0 CFAEMO CC[C@@H]([C@@H](O)c1ccccc1)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000044165503 175148254 /nfs/dbraw/zinc/14/82/54/175148254.db2.gz UWQARSIQZQFVSX-ULQDDVLXSA-N 1 1 277.408 3.000 10 0 CFAEMO COc1ccccc1[C@H](O)C[N@@H+](CC(C)C)C1CC1 ZINC000044170206 175148561 /nfs/dbraw/zinc/14/85/61/175148561.db2.gz KTOSTJPQVVQVJN-OAHLLOKOSA-N 1 1 263.381 2.849 10 0 CFAEMO CC[N@@H+](Cc1ccncc1)[C@H]1CCc2ccccc2[C@@H]1O ZINC000044169404 175148785 /nfs/dbraw/zinc/14/87/85/175148785.db2.gz DGPXJPZDIYIPKT-ROUUACIJSA-N 1 1 282.387 2.952 10 0 CFAEMO CC(C)Oc1ccc([C@H](O)C[N@@H+](C)C[C@@H]2CCCO2)cc1 ZINC000044171167 175148841 /nfs/dbraw/zinc/14/88/41/175148841.db2.gz FVHJRQUQYQEUPW-DLBZAZTESA-N 1 1 293.407 2.618 10 0 CFAEMO COCC[N@@H+]([C@H](C(C)C)[C@@H](O)c1ccccc1)C1CC1 ZINC000044171904 175148962 /nfs/dbraw/zinc/14/89/62/175148962.db2.gz LRQXRADXPVROET-SJORKVTESA-N 1 1 277.408 2.855 10 0 CFAEMO CCc1ccc([C@@H](O)[C@H](C)[N@@H+](CC)CCOC)cc1 ZINC000044173343 175149204 /nfs/dbraw/zinc/14/92/04/175149204.db2.gz VLXUOSGDLSMLCM-BBRMVZONSA-N 1 1 265.397 2.639 10 0 CFAEMO CC[C@@H](C)[N@@H+](CCOC)[C@@H]1CCCCCC[C@@H]1O ZINC000044174832 175149241 /nfs/dbraw/zinc/14/92/41/175149241.db2.gz ZRZOBFHYHGMDHQ-KFWWJZLASA-N 1 1 257.418 2.817 10 0 CFAEMO Cc1ccccc1C[N@H+](C)[C@@H]1COc2ccccc2[C@@H]1O ZINC000044174583 175149271 /nfs/dbraw/zinc/14/92/71/175149271.db2.gz RPHKQNLVZRMFSA-AEFFLSMTSA-N 1 1 283.371 2.921 10 0 CFAEMO CCO[C@H]1CCC[N@H+]([C@@H]2CCCCCC[C@@H]2O)C1 ZINC000044179710 175150652 /nfs/dbraw/zinc/15/06/52/175150652.db2.gz GERKMQQDLDSXOC-ZNMIVQPWSA-N 1 1 255.402 2.571 10 0 CFAEMO CC(C)[C@H]([C@@H](O)c1ccccc1)[N@H+]1CCOCC1(C)C ZINC000044178169 175150780 /nfs/dbraw/zinc/15/07/80/175150780.db2.gz GCZWZMOJUHWNBY-CVEARBPZSA-N 1 1 277.408 2.855 10 0 CFAEMO CC1(C)COCC[N@H+]1C[C@@H](O)C12CC3CC(CC(C3)C1)C2 ZINC000044178161 175150835 /nfs/dbraw/zinc/15/08/35/175150835.db2.gz ZIVLFRFKVBXBEX-QFQXCOSMSA-N 1 1 293.451 2.675 10 0 CFAEMO CCCO[C@H]1CCC[N@H+]([C@@H](CC)[C@@H](O)CCC)C1 ZINC000044179616 175151153 /nfs/dbraw/zinc/15/11/53/175151153.db2.gz VDQIYXCORZZYSF-KKUMJFAQSA-N 1 1 257.418 2.817 10 0 CFAEMO C[N@@H+](Cc1ccc(F)cc1)[C@@H]1CCCCC[C@@H]1O ZINC000044180246 175151199 /nfs/dbraw/zinc/15/11/99/175151199.db2.gz FPFIURUSOQPBTR-CABCVRRESA-N 1 1 251.345 2.951 10 0 CFAEMO C[N@@H+](Cc1ccc(F)cc1)[C@H]1COc2ccccc2[C@@H]1O ZINC000044180272 175151278 /nfs/dbraw/zinc/15/12/78/175151278.db2.gz DIACCPKZVRTUTC-RDJZCZTQSA-N 1 1 287.334 2.752 10 0 CFAEMO C[N@@H+](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2[C@@H]1O ZINC000044180270 175151346 /nfs/dbraw/zinc/15/13/46/175151346.db2.gz DIACCPKZVRTUTC-WBVHZDCISA-N 1 1 287.334 2.752 10 0 CFAEMO COc1cccc([C@H](O)Cn2cc[nH+]c2C(C)C)c1 ZINC000044185108 175152104 /nfs/dbraw/zinc/15/21/04/175152104.db2.gz MQXLIKYYIGJFNW-CQSZACIVSA-N 1 1 260.337 2.749 10 0 CFAEMO C[C@H](CNC[C@@H](O)c1cc(Cl)ccc1Cl)[NH+](C)C ZINC000044347307 175165259 /nfs/dbraw/zinc/16/52/59/175165259.db2.gz DCVSWMYJVGHVKU-NOZJJQNGSA-N 1 1 291.222 2.567 10 0 CFAEMO CCn1cc([C@@H](C)[N@H+]2CCc3c(N)cccc3C2)cn1 ZINC000044500897 175184990 /nfs/dbraw/zinc/18/49/90/175184990.db2.gz MTMKOVMXNQGQJM-GFCCVEGCSA-N 1 1 270.380 2.605 10 0 CFAEMO C[NH+]1CCC(Cn2c(N)nc3cc(Cl)ccc32)CC1 ZINC000044526469 175191631 /nfs/dbraw/zinc/19/16/31/175191631.db2.gz IMMHCDHQQFERCM-UHFFFAOYSA-N 1 1 278.787 2.614 10 0 CFAEMO [NH3+]C[C@H]1CCCN([C@@H](c2ccccc2)c2ccccn2)C1 ZINC000044527863 175192748 /nfs/dbraw/zinc/19/27/48/175192748.db2.gz WZUAYGGTBZNICE-QAPCUYQASA-N 1 1 281.403 2.842 10 0 CFAEMO C[N@H+]1CCC[C@@H](CNc2ccc3cc(N)ccc3n2)C1 ZINC000044535585 175198710 /nfs/dbraw/zinc/19/87/10/175198710.db2.gz YLTIKDFJSZLLKF-LBPRGKRZSA-N 1 1 270.380 2.571 10 0 CFAEMO C[N@H+]1CCC[C@H](CNc2ccc(N)c(OC(C)(C)C)n2)C1 ZINC000044535505 175199142 /nfs/dbraw/zinc/19/91/42/175199142.db2.gz LHAFWSMQFABUDC-GFCCVEGCSA-N 1 1 292.427 2.595 10 0 CFAEMO C[N@H+]1CCC[C@H](CN2C(=S)N=NC2c2ccccc2)C1 ZINC000044538135 175199554 /nfs/dbraw/zinc/19/95/54/175199554.db2.gz PQMSXJXJTWUTQP-LBPRGKRZSA-N 1 1 288.420 2.576 10 0 CFAEMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+]1CCCC[C@@H]1CN ZINC000044540287 175200836 /nfs/dbraw/zinc/20/08/36/175200836.db2.gz DSTSOJMMQKMAFU-PBHICJAKSA-N 1 1 274.408 2.886 10 0 CFAEMO COc1ccc2c(c1)CCC[C@@H]2[N@H+]1CCCC[C@@H]1CN ZINC000044540287 175200838 /nfs/dbraw/zinc/20/08/38/175200838.db2.gz DSTSOJMMQKMAFU-PBHICJAKSA-N 1 1 274.408 2.886 10 0 CFAEMO CCn1c2ccccc2nc1CNC[C@H]1CCCC[N@@H+]1C ZINC000044560637 175204309 /nfs/dbraw/zinc/20/43/09/175204309.db2.gz LOPZJHLEHXQUCY-CQSZACIVSA-N 1 1 286.423 2.630 10 0 CFAEMO CCn1c2ccccc2nc1CNC[C@H]1CCCC[N@H+]1C ZINC000044560637 175204310 /nfs/dbraw/zinc/20/43/10/175204310.db2.gz LOPZJHLEHXQUCY-CQSZACIVSA-N 1 1 286.423 2.630 10 0 CFAEMO COc1ccc([C@@H](C)NC[C@@H]2CCCC[N@@H+]2C)c(F)c1 ZINC000044561168 175204758 /nfs/dbraw/zinc/20/47/58/175204758.db2.gz ATKKILDBXHZAQR-OLZOCXBDSA-N 1 1 280.387 2.969 10 0 CFAEMO COc1ccc([C@@H](C)NC[C@@H]2CCCC[N@H+]2C)c(F)c1 ZINC000044561168 175204760 /nfs/dbraw/zinc/20/47/60/175204760.db2.gz ATKKILDBXHZAQR-OLZOCXBDSA-N 1 1 280.387 2.969 10 0 CFAEMO C[N@H+]1CCCC[C@@H]1CNc1ccc(C(F)(F)F)cn1 ZINC000044563107 175206414 /nfs/dbraw/zinc/20/64/14/175206414.db2.gz HVOKXCMRCCBFDX-LLVKDONJSA-N 1 1 273.302 2.997 10 0 CFAEMO C[N@H+]1CCCC[C@@H]1CNc1ccc(N)c2cnccc12 ZINC000044563616 175206504 /nfs/dbraw/zinc/20/65/04/175206504.db2.gz HAMKYQFMCCYXPH-GFCCVEGCSA-N 1 1 270.380 2.713 10 0 CFAEMO Fc1cccc2[nH]c([C@H]3[NH2+]CCc4sccc43)nc21 ZINC000044592884 175214070 /nfs/dbraw/zinc/21/40/70/175214070.db2.gz STEKEYGDRCCSNV-LBPRGKRZSA-N 1 1 273.336 2.999 10 0 CFAEMO C[C@H]([NH2+][C@@H]1C[C@@H]1c1ccccc1)[C@@H]1CCCN(C)C1 ZINC000044674962 175227007 /nfs/dbraw/zinc/22/70/07/175227007.db2.gz BYKHQDVLMGTJNZ-RKTXRCNFSA-N 1 1 258.409 2.862 10 0 CFAEMO Cc1cc([C@H](C)[NH2+]Cc2ccc(C(N)=O)cc2F)c(C)o1 ZINC000044730590 175239892 /nfs/dbraw/zinc/23/98/92/175239892.db2.gz XJJVMDSGCXDXCI-JTQLQIEISA-N 1 1 290.338 2.985 10 0 CFAEMO Cc1cc(C)c(C(=O)[O-])c(NC[C@H](C)[NH+]2CCCCC2)[nH+]1 ZINC000045011034 175289915 /nfs/dbraw/zinc/28/99/15/175289915.db2.gz HXMMTOASCWQAEM-ZDUSSCGKSA-N 1 1 291.395 2.683 10 0 CFAEMO Cc1cc(C)c(C(=O)[O-])c(NC[C@@H](C)[NH+]2CCCCC2)[nH+]1 ZINC000045011031 175290034 /nfs/dbraw/zinc/29/00/34/175290034.db2.gz HXMMTOASCWQAEM-CYBMUJFWSA-N 1 1 291.395 2.683 10 0 CFAEMO COCC[C@@](C)(CN)[N@H+](Cc1cccs1)C(C)C ZINC000045043563 175295753 /nfs/dbraw/zinc/29/57/53/175295753.db2.gz OIUPGXYJSKMRDW-AWEZNQCLSA-N 1 1 270.442 2.712 10 0 CFAEMO COCC[C@@](C)(CN)[N@@H+](Cc1cccs1)C(C)C ZINC000045043563 175295755 /nfs/dbraw/zinc/29/57/55/175295755.db2.gz OIUPGXYJSKMRDW-AWEZNQCLSA-N 1 1 270.442 2.712 10 0 CFAEMO CN[C@H](C[N@H+](C)CC(C)(C)C)c1cccc(OC)c1 ZINC000045072405 175302010 /nfs/dbraw/zinc/30/20/10/175302010.db2.gz HIAOHBODXWOOFR-OAHLLOKOSA-N 1 1 264.413 2.934 10 0 CFAEMO CN[C@H](C[N@@H+](C)CC(C)(C)C)c1cccc(OC)c1 ZINC000045072405 175302012 /nfs/dbraw/zinc/30/20/12/175302012.db2.gz HIAOHBODXWOOFR-OAHLLOKOSA-N 1 1 264.413 2.934 10 0 CFAEMO COc1ccc([C@H](N)C[N@@H+](C)CC(C)(C)C)c(OC)c1 ZINC000045072621 175302157 /nfs/dbraw/zinc/30/21/57/175302157.db2.gz HEGBBRKSIAEEMF-CQSZACIVSA-N 1 1 280.412 2.682 10 0 CFAEMO COc1ccc([C@H]([NH3+])CN(C)CC(C)(C)C)c(OC)c1 ZINC000045072621 175302158 /nfs/dbraw/zinc/30/21/58/175302158.db2.gz HEGBBRKSIAEEMF-CQSZACIVSA-N 1 1 280.412 2.682 10 0 CFAEMO CCC[NH2+][C@@H]1CCOC[C@H]1N1CCC[C@@H]1C1CCCC1 ZINC000045073395 175302513 /nfs/dbraw/zinc/30/25/13/175302513.db2.gz DCWOCMPKBJMCPL-BRWVUGGUSA-N 1 1 280.456 2.798 10 0 CFAEMO O=C(C[N@H+]1CCC[C@H]1C1CCCC1)c1ccc(O)cc1O ZINC000045085206 175303595 /nfs/dbraw/zinc/30/35/95/175303595.db2.gz SIAONJIXWQXQCK-HNNXBMFYSA-N 1 1 289.375 2.935 10 0 CFAEMO CC(C)CCOCCN1CC[C@@H](C)[NH2+][C@@H](C)CC1 ZINC000045109368 175309465 /nfs/dbraw/zinc/30/94/65/175309465.db2.gz TUIXWTONWQYMBC-GASCZTMLSA-N 1 1 256.434 2.512 10 0 CFAEMO CC(C)[N@H+]1CC[C@H](CNc2ccc(F)cc2N)C1 ZINC000045118582 175311402 /nfs/dbraw/zinc/31/14/02/175311402.db2.gz UTMMEABJQQUDJK-LLVKDONJSA-N 1 1 251.349 2.550 10 0 CFAEMO C[C@@H](C(N)=S)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000045147240 175317414 /nfs/dbraw/zinc/31/74/14/175317414.db2.gz PGRGPQRGMMFFQT-QMMMGPOBSA-N 1 1 276.327 2.812 10 0 CFAEMO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]CC1(N(C)C)CCCCC1 ZINC000045167877 175319519 /nfs/dbraw/zinc/31/95/19/175319519.db2.gz ZNPYRBNXMRNINX-CYBMUJFWSA-N 1 1 292.471 2.952 10 0 CFAEMO Cc1nn(C)c(C)c1[C@@H]([NH3+])c1cc2ccccc2o1 ZINC000045168857 175320099 /nfs/dbraw/zinc/32/00/99/175320099.db2.gz FXACSHFABUKBMN-HNNXBMFYSA-N 1 1 255.321 2.831 10 0 CFAEMO CCn1nc(C)c([C@@H](C)N[C@H](C)C[NH+]2CCCC2)c1C ZINC000045172374 175321893 /nfs/dbraw/zinc/32/18/93/175321893.db2.gz ADAFNZCRESLVPT-CHWSQXEVSA-N 1 1 278.444 2.655 10 0 CFAEMO Cc1nn(C)c(C)c1[C@@H](C)[N@H+]1CCc2c(N)cccc2C1 ZINC000045173248 175322282 /nfs/dbraw/zinc/32/22/82/175322282.db2.gz VQMVCGUTXUYJNS-CYBMUJFWSA-N 1 1 284.407 2.738 10 0 CFAEMO CCn1nc(C)c([C@@H](C)N2[C@@H]3CC[C@H]2CC([NH3+])C3)c1C ZINC000045173281 175322531 /nfs/dbraw/zinc/32/25/31/175322531.db2.gz AWFNPMDXLVMZNE-FFHGMXDLSA-N 1 1 276.428 2.535 10 0 CFAEMO CCN[C@@](C)(CC[N@@H+](CC)C1CCCCC1)C(=O)OC ZINC000045224143 175332271 /nfs/dbraw/zinc/33/22/71/175332271.db2.gz YEESITCGDQRYTR-INIZCTEOSA-N 1 1 284.444 2.572 10 0 CFAEMO CCCN[C@@](C)(CC[N@@H+](C)C1CCCCC1)C(=O)OCC ZINC000045231302 175334797 /nfs/dbraw/zinc/33/47/97/175334797.db2.gz QAMLSOWGLWQQEQ-KRWDZBQOSA-N 1 1 298.471 2.962 10 0 CFAEMO CCOC(=O)[C@](C)(C[N@H+]1CCCC[C@@H]1CC)NC(C)C ZINC000045265876 175338758 /nfs/dbraw/zinc/33/87/58/175338758.db2.gz QDKAVKVVNOOPSA-HOCLYGCPSA-N 1 1 284.444 2.571 10 0 CFAEMO CCCN[C@@](C)(CC[N@@H+](CC)C1CCCC1)C(=O)OC ZINC000045269310 175341004 /nfs/dbraw/zinc/34/10/04/175341004.db2.gz MKNKPOCEPXSLSG-INIZCTEOSA-N 1 1 284.444 2.572 10 0 CFAEMO CCOC(=O)[C@](C)(C[N@@H+](C)C1CCCCCC1)NC1CC1 ZINC000045271944 175342057 /nfs/dbraw/zinc/34/20/57/175342057.db2.gz LTXYDSOZNIJBBI-KRWDZBQOSA-N 1 1 296.455 2.715 10 0 CFAEMO CCCN[C@](C)(CC[N@@H+](C)C1CCCCCC1)C(=O)OC ZINC000045272005 175342156 /nfs/dbraw/zinc/34/21/56/175342156.db2.gz OZLKGHCPRQJMPZ-QGZVFWFLSA-N 1 1 298.471 2.962 10 0 CFAEMO CCCC[N@@H+](C[C@@](C)(NCCC)C(=O)OCC)C1CC1 ZINC000045276259 175346588 /nfs/dbraw/zinc/34/65/88/175346588.db2.gz WATXDAWEIQBDSQ-MRXNPFEDSA-N 1 1 284.444 2.572 10 0 CFAEMO CCC[NH2+][C@@](C)(CC[N@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000045277394 175347832 /nfs/dbraw/zinc/34/78/32/175347832.db2.gz RSJWBLCXVBBFAM-WBVHZDCISA-N 1 1 296.455 2.874 10 0 CFAEMO CCC(CC)C[N@@H+](CC)CC[C@@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045277825 175348012 /nfs/dbraw/zinc/34/80/12/175348012.db2.gz SFHTWGFVSRXATB-MRXNPFEDSA-N 1 1 286.460 2.976 10 0 CFAEMO CCCCC[N@@H+](C[C@@](C)(NC1CC1)C(=O)OCC)C(C)C ZINC000045278594 175348040 /nfs/dbraw/zinc/34/80/40/175348040.db2.gz JLVOKXCVTKGKDP-QGZVFWFLSA-N 1 1 298.471 2.961 10 0 CFAEMO CCCCC[N@@H+](CC[C@@](C)(N)C(=O)OCC)C(C)C ZINC000045278618 175348714 /nfs/dbraw/zinc/34/87/14/175348714.db2.gz TVQZSNSDHDNGMF-OAHLLOKOSA-N 1 1 272.433 2.558 10 0 CFAEMO CCC[NH2+][C@](C)(CC[N@@H+](C)[C@@H](C)CC(C)C)C(=O)[O-] ZINC000045279992 175349939 /nfs/dbraw/zinc/34/99/39/175349939.db2.gz OGGWKHFPYVIBEN-DZGCQCFKSA-N 1 1 272.433 2.586 10 0 CFAEMO COC(=O)[C@](C)(CC[N@@H+](C)C1CCC(C)CC1)NC(C)C ZINC000045280622 175350457 /nfs/dbraw/zinc/35/04/57/175350457.db2.gz HRPILFAPWUJGQT-DQPZFDDXSA-N 1 1 298.471 2.817 10 0 CFAEMO CCC1CCC([N@@H+](C)CC[C@](C)(NC(C)C)C(N)=O)CC1 ZINC000045281160 175351603 /nfs/dbraw/zinc/35/16/03/175351603.db2.gz LCWFZEXVKOFJQW-DQPZFDDXSA-N 1 1 297.487 2.519 10 0 CFAEMO CCC1CCC([N@@H+](C)CC[C@@](C)([NH2+]C2CC2)C(=O)[O-])CC1 ZINC000045281136 175352008 /nfs/dbraw/zinc/35/20/08/175352008.db2.gz XLXVSDVFHCCIKI-PUJMQQBBSA-N 1 1 296.455 2.872 10 0 CFAEMO CCCN[C@@](C)(CC[N@@H+](C)C1CCC(CC)CC1)C(N)=O ZINC000045281158 175352142 /nfs/dbraw/zinc/35/21/42/175352142.db2.gz VMGBXVAQFXVLRG-DQPZFDDXSA-N 1 1 297.487 2.521 10 0 CFAEMO CCCC[N@@H+](C[C@@](C)(NCC)C(=O)OCC)[C@@H](C)CC ZINC000045282550 175352465 /nfs/dbraw/zinc/35/24/65/175352465.db2.gz NVGJXTHDJIPBEP-GOEBONIOSA-N 1 1 286.460 2.818 10 0 CFAEMO CCCC[N@@H+](CC[C@](C)(NC)C(=O)OCC)[C@@H](C)CC ZINC000045282636 175353003 /nfs/dbraw/zinc/35/30/03/175353003.db2.gz AASLVUIXSHYPDE-HOCLYGCPSA-N 1 1 286.460 2.818 10 0 CFAEMO CCCC[N@@H+](C)CCCC[C@@](C)(NCCC)C(=O)OC ZINC000045368249 175363082 /nfs/dbraw/zinc/36/30/82/175363082.db2.gz CPIVFYVNSGNQBE-MRXNPFEDSA-N 1 1 286.460 2.820 10 0 CFAEMO CCOC(=O)[C@](C)(CCCC[N@@H+](C)C(C)C)NC(C)C ZINC000045378003 175367760 /nfs/dbraw/zinc/36/77/60/175367760.db2.gz YQXHIDINJSNHNR-INIZCTEOSA-N 1 1 286.460 2.817 10 0 CFAEMO CCOC(=O)[C@@](C)(CCC[N@@H+]1[C@H](C)CCC[C@@H]1C)NC ZINC000045379699 175369019 /nfs/dbraw/zinc/36/90/19/175369019.db2.gz VTFFPSHFVWWSLQ-IJEWVQPXSA-N 1 1 284.444 2.571 10 0 CFAEMO CC[NH2+][C@](C)(CCCN(CC)c1ccccc1)C(=O)OC ZINC000045379941 175369335 /nfs/dbraw/zinc/36/93/35/175369335.db2.gz DJICTWAQJMZEAQ-QGZVFWFLSA-N 1 1 292.423 2.834 10 0 CFAEMO CC[N@@H+](CCCC[C@@](C)([NH2+]C1CC1)C(=O)[O-])CC(C)C ZINC000045381659 175369746 /nfs/dbraw/zinc/36/97/46/175369746.db2.gz PRQUKHGPRWVNLK-MRXNPFEDSA-N 1 1 284.444 2.730 10 0 CFAEMO CCN[C@@](C)(CCCC[N@@H+](CC)C(C)C)C(=O)OCC ZINC000045383665 175371048 /nfs/dbraw/zinc/37/10/48/175371048.db2.gz BGRFSVDYZNFJNL-INIZCTEOSA-N 1 1 286.460 2.818 10 0 CFAEMO CCC[N@@H+](CCCC[C@](C)(NC)C(=O)OCC)C(C)C ZINC000045385837 175372198 /nfs/dbraw/zinc/37/21/98/175372198.db2.gz CULYBSGZDKMSFW-INIZCTEOSA-N 1 1 286.460 2.818 10 0 CFAEMO CCOC(=O)[C@](C)(CCC[N@@H+](CC)C1CC1)NC(C)C ZINC000045386595 175372932 /nfs/dbraw/zinc/37/29/32/175372932.db2.gz PDSXAMJDCRJXGK-INIZCTEOSA-N 1 1 284.444 2.571 10 0 CFAEMO CCC[N@@H+](CC)CCC[C@](C)(NC(C)C)C(=O)OCC ZINC000045387130 175373168 /nfs/dbraw/zinc/37/31/68/175373168.db2.gz DCWVJRSSAFYIBF-INIZCTEOSA-N 1 1 286.460 2.818 10 0 CFAEMO CCC[NH2+][C@](C)(CCCC[N@@H+](CCC)C1CC1)C(=O)[O-] ZINC000045387373 175373361 /nfs/dbraw/zinc/37/33/61/175373361.db2.gz ZFOCWNPPWBVAJV-MRXNPFEDSA-N 1 1 284.444 2.874 10 0 CFAEMO CCOC(=O)[C@@](C)(CCC[N@@H+](C)C(CC)CC)NC1CC1 ZINC000045391677 175374782 /nfs/dbraw/zinc/37/47/82/175374782.db2.gz YOICVZFFAVIWQS-QGZVFWFLSA-N 1 1 298.471 2.961 10 0 CFAEMO CCC(CC)[N@@H+](C)CCC[C@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045391536 175375044 /nfs/dbraw/zinc/37/50/44/175375044.db2.gz VPMHRLALKZVQPM-HNNXBMFYSA-N 1 1 272.433 2.728 10 0 CFAEMO CCOC(=O)[C@](C)(CCC[N@@H+](C)[C@@H](C)C1CC1)NC1CC1 ZINC000045393090 175375262 /nfs/dbraw/zinc/37/52/62/175375262.db2.gz ZBLCVEGPYDFAKV-GUYCJALGSA-N 1 1 296.455 2.571 10 0 CFAEMO CCOC(=O)[C@@](C)(CCC[N@@H+](C)[C@@H](C)C1CC1)NC(C)C ZINC000045393063 175375512 /nfs/dbraw/zinc/37/55/12/175375512.db2.gz MESGRUNKXWSCHA-WMLDXEAASA-N 1 1 298.471 2.817 10 0 CFAEMO CC[NH2+][C@@](C)(CCC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)[O-] ZINC000045419330 175377637 /nfs/dbraw/zinc/37/76/37/175377637.db2.gz JMHICXNEFCMEMJ-UXLLHSPISA-N 1 1 296.455 2.732 10 0 CFAEMO CCOC(=O)[C@](C)(N)CCC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000045419338 175378180 /nfs/dbraw/zinc/37/81/80/175378180.db2.gz IOULDICSLALUSW-ZMSDIMECSA-N 1 1 296.455 2.559 10 0 CFAEMO CCOC(=O)[C@](C)(N)CCC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000045419338 175378181 /nfs/dbraw/zinc/37/81/81/175378181.db2.gz IOULDICSLALUSW-ZMSDIMECSA-N 1 1 296.455 2.559 10 0 CFAEMO C[C@@H]1CCC[C@]2(CSC(NCc3nccn3C)=[NH+]2)C1 ZINC000071274584 176105933 /nfs/dbraw/zinc/10/59/33/176105933.db2.gz VBOPWPHAUACIBS-BXUZGUMPSA-N 1 1 278.425 2.561 10 0 CFAEMO Cn1cc[nH+]c1Cn1c2cc(F)ccc2[nH]c1=S ZINC000071274545 176106076 /nfs/dbraw/zinc/10/60/76/176106076.db2.gz FJQDDCWOURKKHU-UHFFFAOYSA-N 1 1 262.313 2.620 10 0 CFAEMO CC(C)[C@@H]1CN(C(=O)c2ccc[nH]2)CCC[N@H+]1CC1CC1 ZINC000071764198 176262099 /nfs/dbraw/zinc/26/20/99/176262099.db2.gz XBQZHGZXUODDKP-INIZCTEOSA-N 1 1 289.423 2.597 10 0 CFAEMO CCOC(=O)COc1cc(C)[nH+]c2cc(OCC)ccc21 ZINC000072237183 176346137 /nfs/dbraw/zinc/34/61/37/176346137.db2.gz AZYUVZSVCPOUOE-UHFFFAOYSA-N 1 1 289.331 2.884 10 0 CFAEMO CC[C@@H]1CN(C(=O)c2cccc(O)c2C)CC[N@H+]1C(C)C ZINC000077376618 177260623 /nfs/dbraw/zinc/26/06/23/177260623.db2.gz TZPFJFLOGPEXLO-CQSZACIVSA-N 1 1 290.407 2.645 10 0 CFAEMO CCOc1ccc(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000078823518 177394038 /nfs/dbraw/zinc/39/40/38/177394038.db2.gz MMRUZOSEKSEMHI-ZIAGYGMSSA-N 1 1 279.380 2.573 10 0 CFAEMO O=C(N1CC[N@@H+]2CCCC[C@H]2C1)C1(c2ccccc2)CCC1 ZINC000195067713 270249737 /nfs/dbraw/zinc/24/97/37/270249737.db2.gz KKWCTFVQXDZRDD-KRWDZBQOSA-N 1 1 298.430 2.805 10 0 CFAEMO O=C(N1CC[N@H+]2CCCC[C@H]2C1)C1(c2ccccc2)CCC1 ZINC000195067713 270249738 /nfs/dbraw/zinc/24/97/38/270249738.db2.gz KKWCTFVQXDZRDD-KRWDZBQOSA-N 1 1 298.430 2.805 10 0 CFAEMO CC[N@@H+](C[C@@H](O)COCc1ccc(Cl)cc1)C(C)C ZINC000194092175 270242642 /nfs/dbraw/zinc/24/26/42/270242642.db2.gz CVGJCWZLMNKACV-OAHLLOKOSA-N 1 1 285.815 2.948 10 0 CFAEMO COc1ccc(Cl)cc1C[N@H+]1CCC[C@H](O)[C@@H]1C ZINC000395168430 270311870 /nfs/dbraw/zinc/31/18/70/270311870.db2.gz PYCYRKBHESSTLJ-GWCFXTLKSA-N 1 1 269.772 2.694 10 0 CFAEMO Cc1ccc(C[NH2+][C@H](C)c2ccc(F)c(F)c2)nn1 ZINC000396612905 270315443 /nfs/dbraw/zinc/31/54/43/270315443.db2.gz GHQRTWUVYMGLEZ-SNVBAGLBSA-N 1 1 263.291 2.914 10 0 CFAEMO C[C@@H]1C[C@@H](CO)C[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000398607883 270323317 /nfs/dbraw/zinc/32/33/17/270323317.db2.gz DUKYAWYRQPMFQK-UPJWGTAASA-N 1 1 261.356 2.762 10 0 CFAEMO CC(C)(C)c1cnc(C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)o1 ZINC000398920702 270325159 /nfs/dbraw/zinc/32/51/59/270325159.db2.gz LQQVCXUGFIDFAP-YNEHKIRRSA-N 1 1 278.396 2.565 10 0 CFAEMO COc1cccc2c(N3CC[N@H+]4CCC[C@@H]4C3)ccnc12 ZINC000189372125 274150152 /nfs/dbraw/zinc/15/01/52/274150152.db2.gz PNKHHINUZSWTSK-CYBMUJFWSA-N 1 1 283.375 2.528 10 0 CFAEMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCOc2ccccc21 ZINC000170899777 276154562 /nfs/dbraw/zinc/15/45/62/276154562.db2.gz NPYHHMUOCFVHLS-HUUCEWRRSA-N 1 1 288.391 2.501 10 0 CFAEMO CC[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(F)cc1)C2=O ZINC000012594852 276221451 /nfs/dbraw/zinc/22/14/51/276221451.db2.gz NNZQXQGJGYPUTJ-QGZVFWFLSA-N 1 1 290.382 2.660 10 0 CFAEMO CCC[C@H](C(=O)N1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000249820512 276281492 /nfs/dbraw/zinc/28/14/92/276281492.db2.gz FSYGSXHIOQIBEP-IRXDYDNUSA-N 1 1 286.419 2.877 10 0 CFAEMO CC(C)(C)OC1CC([N@H+]2CC3(CCC3)[C@@H]3COC[C@@H]32)C1 ZINC000335158422 277209481 /nfs/dbraw/zinc/20/94/81/277209481.db2.gz NKRYHKIAANEESK-CVSAEHQPSA-N 1 1 279.424 2.833 10 0 CFAEMO CC(C)C[N@H+]1CCC[C@@H]1CN[C@@H](C)c1ccncc1 ZINC000155212076 277394353 /nfs/dbraw/zinc/39/43/53/277394353.db2.gz XDQYRWYDIMNAPD-GOEBONIOSA-N 1 1 261.413 2.853 10 0 CFAEMO CC(C)CN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccncc1 ZINC000155212076 277394354 /nfs/dbraw/zinc/39/43/54/277394354.db2.gz XDQYRWYDIMNAPD-GOEBONIOSA-N 1 1 261.413 2.853 10 0 CFAEMO COc1cccc(-c2n[nH]c3c2C[N@H+](C2CCC2)CC3)c1 ZINC000012299894 278005953 /nfs/dbraw/zinc/00/59/53/278005953.db2.gz FBQKCUFRGSSPBH-UHFFFAOYSA-N 1 1 283.375 2.996 10 0 CFAEMO COc1cccc2c1ncc(C)c2N1CC[N@H+]2CCC[C@@H]2C1 ZINC000302601522 278042880 /nfs/dbraw/zinc/04/28/80/278042880.db2.gz CFPGSJDGOHNZKH-CQSZACIVSA-N 1 1 297.402 2.836 10 0 CFAEMO CC(C)c1nnc(C[N@@H+]2C[C@H](C)CC[C@@H]2C)n1C ZINC000174468255 278100137 /nfs/dbraw/zinc/10/01/37/278100137.db2.gz RZTQDSNLPKOZPS-NEPJUHHUSA-N 1 1 250.390 2.559 10 0 CFAEMO CC(C)c1nnc(C[N@H+]2C[C@H](C)CC[C@@H]2C)n1C ZINC000174468255 278100139 /nfs/dbraw/zinc/10/01/39/278100139.db2.gz RZTQDSNLPKOZPS-NEPJUHHUSA-N 1 1 250.390 2.559 10 0 CFAEMO CC(F)(F)CC[N@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000334623476 278160204 /nfs/dbraw/zinc/16/02/04/278160204.db2.gz PWUIXKYDKOSYRW-AWEZNQCLSA-N 1 1 277.355 2.692 10 0 CFAEMO C[C@H](C[NH+](C)C)N[C@H]1CCSc2c(F)cccc21 ZINC000168672528 278178479 /nfs/dbraw/zinc/17/84/79/278178479.db2.gz JTSGGFGBEQPYFR-MFKMUULPSA-N 1 1 268.401 2.902 10 0 CFAEMO CC1(C)CN([C@@H]2CCc3ccc(F)cc32)CC[C@H]1[NH3+] ZINC000261778007 278340757 /nfs/dbraw/zinc/34/07/57/278340757.db2.gz SYRRBOLUULKDMT-HUUCEWRRSA-N 1 1 262.372 2.872 10 0 CFAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)N[C@H]1CC[C@H](C)CC1 ZINC000476041937 279325977 /nfs/dbraw/zinc/32/59/77/279325977.db2.gz PLHCGWNOXIODRB-KKUMJFAQSA-N 1 1 281.444 2.691 10 0 CFAEMO CC[C@@H](C(=O)OC(C)(C)C)N(C)C[C@H]1CCC[N@H+]1CC ZINC000248836005 280084792 /nfs/dbraw/zinc/08/47/92/280084792.db2.gz JUHCJOAVCPJOGE-KGLIPLIRSA-N 1 1 284.444 2.523 10 0 CFAEMO CC[C@@H]1CCCCC[N@H+]1C[C@H](O)COC(C)(C)C ZINC000157327174 280239032 /nfs/dbraw/zinc/23/90/32/280239032.db2.gz SHOCGNBJFRYABV-KGLIPLIRSA-N 1 1 257.418 2.817 10 0 CFAEMO CSc1ccc(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000075589674 280512826 /nfs/dbraw/zinc/51/28/26/280512826.db2.gz DUKAUCVVFHEPHB-CHWSQXEVSA-N 1 1 281.421 2.897 10 0 CFAEMO CC(C)OC(=O)c1ccc(C[NH+]2[C@@H](C)COC[C@@H]2C)cc1 ZINC000135096147 280767062 /nfs/dbraw/zinc/76/70/62/280767062.db2.gz FYHQRKDYSXMXJH-KBPBESRZSA-N 1 1 291.391 2.861 10 0 CFAEMO CC(C)c1nnc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)n1C ZINC000247350638 281010008 /nfs/dbraw/zinc/01/00/08/281010008.db2.gz GRRNYCKAVRTLKQ-QWHCGFSZSA-N 1 1 262.401 2.703 10 0 CFAEMO CC(C)c1nnc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)n1C ZINC000247350638 281010010 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