smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@]1(C(F)(F)F)CN(Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000228906209 525233894 /nfs/dbraw/zinc/23/38/94/525233894.db2.gz JDBMWFKHEQIDAK-STQMWFEESA-N 1 1 272.314 2.646 40 0 CFABMO [NH3+][C@H](c1nnc(-c2ccc(F)cc2)[nH]1)c1ccccc1 ZINC000095533374 185005531 /nfs/dbraw/zinc/00/55/31/185005531.db2.gz CBXATTFVSUQOHV-ZDUSSCGKSA-N 1 1 268.295 2.659 40 0 CFABMO COc1ccc([C@@H]([NH3+])c2nnc(-c3ccccc3C)[nH]2)cc1 ZINC000095533716 185006949 /nfs/dbraw/zinc/00/69/49/185006949.db2.gz DVSIIOQRXVUXMO-OAHLLOKOSA-N 1 1 294.358 2.837 40 0 CFABMO COc1cccc(-c2nnc([C@@H]([NH3+])c3ccc(F)cc3)[nH]2)c1 ZINC000095533259 185007313 /nfs/dbraw/zinc/00/73/13/185007313.db2.gz PBRHYIDKGILWCE-AWEZNQCLSA-N 1 1 298.321 2.668 40 0 CFABMO C[C@]12CC[N@@H+](Cc3ccccc3)[C@H]1CCCCC(=O)N2 ZINC000095951584 185040256 /nfs/dbraw/zinc/04/02/56/185040256.db2.gz KKDVBXFHZKXLGO-RDJZCZTQSA-N 1 1 272.392 2.710 40 0 CFABMO CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1nccs1)C2 ZINC000096039323 185068810 /nfs/dbraw/zinc/06/88/10/185068810.db2.gz WFINKTBRGBJVHM-UKRRQHHQSA-N 1 1 296.436 2.551 40 0 CFABMO CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1nccs1)C2 ZINC000096039323 185068811 /nfs/dbraw/zinc/06/88/11/185068811.db2.gz WFINKTBRGBJVHM-UKRRQHHQSA-N 1 1 296.436 2.551 40 0 CFABMO CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccoc1)C2 ZINC000096039313 185069634 /nfs/dbraw/zinc/06/96/34/185069634.db2.gz KRLYSIGFBFAJGL-JKSUJKDBSA-N 1 1 279.380 2.687 40 0 CFABMO CCOC[C@@H]1C[N@H+](Cc2cccs2)Cc2c1cnn2C ZINC000096044596 185071748 /nfs/dbraw/zinc/07/17/48/185071748.db2.gz JKEBUWNGZFCJGQ-LBPRGKRZSA-N 1 1 291.420 2.618 40 0 CFABMO CCOC[C@@H]1C[N@@H+](Cc2cccs2)Cc2c1cnn2C ZINC000096044596 185071749 /nfs/dbraw/zinc/07/17/49/185071749.db2.gz JKEBUWNGZFCJGQ-LBPRGKRZSA-N 1 1 291.420 2.618 40 0 CFABMO O=C(c1ccccn1)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC000096049304 185073059 /nfs/dbraw/zinc/07/30/59/185073059.db2.gz GNSUUUXTHXUABY-UHFFFAOYSA-N 1 1 299.418 2.562 40 0 CFABMO CCOC[C@H]1Cn2nccc2C[N@H+](Cc2cccs2)C1 ZINC000096059206 185079459 /nfs/dbraw/zinc/07/94/59/185079459.db2.gz YSLYKWBXTWTUGE-CYBMUJFWSA-N 1 1 291.420 2.613 40 0 CFABMO CCOC[C@H]1Cn2nccc2C[N@@H+](Cc2cccs2)C1 ZINC000096059206 185079460 /nfs/dbraw/zinc/07/94/60/185079460.db2.gz YSLYKWBXTWTUGE-CYBMUJFWSA-N 1 1 291.420 2.613 40 0 CFABMO CCOC[C@@H]1Cn2ccnc2C[N@H+](CCc2ccccc2)C1 ZINC000096066816 185083754 /nfs/dbraw/zinc/08/37/54/185083754.db2.gz BRKXUNBRKFTLSX-KRWDZBQOSA-N 1 1 299.418 2.594 40 0 CFABMO CCOC[C@@H]1Cn2ccnc2C[N@@H+](CCc2ccccc2)C1 ZINC000096066816 185083756 /nfs/dbraw/zinc/08/37/56/185083756.db2.gz BRKXUNBRKFTLSX-KRWDZBQOSA-N 1 1 299.418 2.594 40 0 CFABMO C[C@@H]1c2ncc(COc3cccnc3)n2CC[N@@H+]1C1CCC1 ZINC000096109852 185099565 /nfs/dbraw/zinc/09/95/65/185099565.db2.gz KCSGAXGEMUTHPI-CYBMUJFWSA-N 1 1 298.390 2.786 40 0 CFABMO C[C@@H]1c2ncc(COc3cccnc3)n2CC[N@H+]1C1CCC1 ZINC000096109852 185099566 /nfs/dbraw/zinc/09/95/66/185099566.db2.gz KCSGAXGEMUTHPI-CYBMUJFWSA-N 1 1 298.390 2.786 40 0 CFABMO Cc1ccc2[nH]c(CO[C@H]3C[N@@H+](C(C)C)C[C@H]3F)nc2c1 ZINC000096112317 185100654 /nfs/dbraw/zinc/10/06/54/185100654.db2.gz DCOJTAJYKJTYMI-DOMZBBRYSA-N 1 1 291.370 2.819 40 0 biogenic,in-vitro CFABMO Cc1ccc2nc(CO[C@H]3C[N@H+](C(C)C)C[C@H]3F)[nH]c2c1 ZINC000096112317 185100657 /nfs/dbraw/zinc/10/06/57/185100657.db2.gz DCOJTAJYKJTYMI-DOMZBBRYSA-N 1 1 291.370 2.819 40 0 biogenic,in-vitro CFABMO Cc1ccc2nc(CO[C@H]3C[N@@H+](C(C)C)C[C@H]3F)[nH]c2c1 ZINC000096112317 185100659 /nfs/dbraw/zinc/10/06/59/185100659.db2.gz DCOJTAJYKJTYMI-DOMZBBRYSA-N 1 1 291.370 2.819 40 0 biogenic,in-vitro CFABMO COC[C@@]12CCO[C@@H]1CC[N@@H+](Cc1ccc(F)c(F)c1)C2 ZINC000096110330 185100925 /nfs/dbraw/zinc/10/09/25/185100925.db2.gz FVQDKXOXZZGSQK-CVEARBPZSA-N 1 1 297.345 2.592 40 0 CFABMO C[N@H+]1CCC[C@H](C(=O)NC2CCCCCCC2)C1 ZINC000096629262 185108178 /nfs/dbraw/zinc/10/81/78/185108178.db2.gz URDKMSJTMJZRMR-ZDUSSCGKSA-N 1 1 252.402 2.557 40 0 CFABMO CC[N@@H+](C)[C@@H]1CN(C(=O)COC(C)C)C2(C1)CCCCC2 ZINC000019703970 346242382 /nfs/dbraw/zinc/24/23/82/346242382.db2.gz YEDJHZSIBOXECW-HNNXBMFYSA-N 1 1 296.455 2.667 40 0 CFABMO C[C@@]12CC[N@@H+](Cc3cccc(F)c3)[C@@H]1CCCCC(=O)N2 ZINC000019713693 346242423 /nfs/dbraw/zinc/24/24/23/346242423.db2.gz FGACCXNZWBJFQO-NVXWUHKLSA-N 1 1 290.382 2.849 40 0 CFABMO Cc1ccccc1C[N@@H+]1CCC[C@@]2(CCN(C)C2=O)CC1 ZINC000108532653 186222401 /nfs/dbraw/zinc/22/24/01/186222401.db2.gz WKFHNNALVZPCSH-GOSISDBHSA-N 1 1 286.419 2.829 40 0 CFABMO O=C(C[NH+]1CCC(c2ccccc2F)CC1)N1CCCC1 ZINC000012113938 371946388 /nfs/dbraw/zinc/94/63/88/371946388.db2.gz NMHYYWFMXITXOM-UHFFFAOYSA-N 1 1 290.382 2.628 40 0 CFABMO Cc1ccccc1C(=O)NC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000013425036 372026360 /nfs/dbraw/zinc/02/63/60/372026360.db2.gz BSPTUJWADWOYRC-WBVHZDCISA-N 1 1 286.419 2.989 40 0 CFABMO COC(=O)[C@@H](Cc1ccc(C)cc1)[NH+]1CCCCC1 ZINC000017421631 372134650 /nfs/dbraw/zinc/13/46/50/372134650.db2.gz VBLZFOPVEJKPHX-OAHLLOKOSA-N 1 1 261.365 2.565 40 0 CFABMO CCc1[nH+]ccn1[C@@H](C)C(=O)Nc1ccc2ncn(C)c2c1 ZINC000019718533 372180650 /nfs/dbraw/zinc/18/06/50/372180650.db2.gz BSZOOUDVDGEZNP-NSHDSACASA-N 1 1 297.362 2.532 40 0 CFABMO Cc1cccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(C)ncc23)n1 ZINC000019236122 372150814 /nfs/dbraw/zinc/15/08/14/372150814.db2.gz UEZAULFNVHZXPJ-WMLDXEAASA-N 1 1 280.375 2.750 40 0 CFABMO Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(C)ncc23)n1 ZINC000019236122 372150818 /nfs/dbraw/zinc/15/08/18/372150818.db2.gz UEZAULFNVHZXPJ-WMLDXEAASA-N 1 1 280.375 2.750 40 0 CFABMO C[C@H]1CCCC[N@H+]1Cc1ccnc(-c2ccncc2)n1 ZINC000019496386 372168402 /nfs/dbraw/zinc/16/84/02/372168402.db2.gz GOMYFQALSFXUTP-ZDUSSCGKSA-N 1 1 268.364 2.913 40 0 CFABMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc2ccccc2n1 ZINC000019575770 372175649 /nfs/dbraw/zinc/17/56/49/372175649.db2.gz JFSAATSINZRPLA-YOEHRIQHSA-N 1 1 281.403 2.903 40 0 CFABMO Cn1nccc1C[NH+]1CCC(Oc2ccccc2F)CC1 ZINC000019658542 372178043 /nfs/dbraw/zinc/17/80/43/372178043.db2.gz HQZSTFJTNKFIBW-UHFFFAOYSA-N 1 1 289.354 2.603 40 0 CFABMO C1=C[C@H]2C[C@@H]1C[C@@H]2CN1CC[NH+](C2CCCC2)CC1 ZINC000019790024 372188114 /nfs/dbraw/zinc/18/81/14/372188114.db2.gz WWMADOQKXVKTKF-OWCLPIDISA-N 1 1 260.425 2.759 40 0 CFABMO C[C@H]1CCCC[N@H+]1C[C@@H](O)COc1ccccc1Cl ZINC000026919744 372330680 /nfs/dbraw/zinc/33/06/80/372330680.db2.gz UKYJCOVBHITCED-QWHCGFSZSA-N 1 1 283.799 2.954 40 0 CFABMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H](O)COc1ccc(F)cc1 ZINC000035031481 372532282 /nfs/dbraw/zinc/53/22/82/372532282.db2.gz CEASHOGVRDNAAP-GUTXKFCHSA-N 1 1 281.371 2.828 40 0 CFABMO Cc1ccc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)[nH+]c1 ZINC000040434884 372781548 /nfs/dbraw/zinc/78/15/48/372781548.db2.gz LFICNWHYWUUHAV-ZDUSSCGKSA-N 1 1 291.395 2.884 40 0 CFABMO OC[C@@H](c1ccc(Br)cc1)[NH+]1CCCCC1 ZINC000041458162 372839899 /nfs/dbraw/zinc/83/98/99/372839899.db2.gz MVJBKSXLOLLQMG-ZDUSSCGKSA-N 1 1 284.197 2.968 40 0 CFABMO COC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000047916419 373130824 /nfs/dbraw/zinc/13/08/24/373130824.db2.gz GLXGXBGBWBQSDM-UHFFFAOYSA-N 1 1 267.756 2.725 40 0 CFABMO COC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000047916411 373131109 /nfs/dbraw/zinc/13/11/09/373131109.db2.gz QSMJBRGFPYXCHG-UHFFFAOYSA-N 1 1 267.756 2.725 40 0 CFABMO c1coc(-c2nnc([C@H]3CC[N@H+](Cc4cccnc4)C3)o2)c1 ZINC000049169516 373272974 /nfs/dbraw/zinc/27/29/74/373272974.db2.gz VCXYQGCXWBEGKZ-ZDUSSCGKSA-N 1 1 296.330 2.714 40 0 biogenic,in-vitro CFABMO [NH3+]CC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000049345426 373287806 /nfs/dbraw/zinc/28/78/06/373287806.db2.gz KEWFDRYRDWZOTB-UHFFFAOYSA-N 1 1 256.752 2.650 40 0 CFABMO CCOC(=O)c1ccc(Nc2cc(N)[nH+]c(C3CC3)n2)cc1 ZINC000049467637 373299349 /nfs/dbraw/zinc/29/93/49/373299349.db2.gz CLAHTXOGJRVZDW-UHFFFAOYSA-N 1 1 298.346 2.857 40 0 CFABMO Cn1cc(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)cn1 ZINC000057605205 373601292 /nfs/dbraw/zinc/60/12/92/373601292.db2.gz IMEQMPWUCXQWFC-KRWDZBQOSA-N 1 1 285.391 2.601 40 0 CFABMO CCN1CCC2(CC1)[NH2+]CCc1c3ccccc3[nH]c12 ZINC000072397401 374248911 /nfs/dbraw/zinc/24/89/11/374248911.db2.gz BVHRJNISQQEUBL-UHFFFAOYSA-N 1 1 269.392 2.625 40 0 CFABMO Cc1ccc([C@H](C)NC(=O)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000072880735 374298041 /nfs/dbraw/zinc/29/80/41/374298041.db2.gz LVZXCRFWJHFQJP-ZFWWWQNUSA-N 1 1 260.381 2.514 40 0 CFABMO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000072880732 374298056 /nfs/dbraw/zinc/29/80/56/374298056.db2.gz LVZXCRFWJHFQJP-UKRRQHHQSA-N 1 1 260.381 2.514 40 0 CFABMO CC(C)[N@@H+](CCO)C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000079393533 374607019 /nfs/dbraw/zinc/60/70/19/374607019.db2.gz IOEKAVMAASXWBQ-SFHVURJKSA-N 1 1 290.451 2.601 40 0 CFABMO C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000082332600 374737642 /nfs/dbraw/zinc/73/76/42/374737642.db2.gz GXNCXRIOHPCFRG-SNVBAGLBSA-N 1 1 286.297 2.986 40 0 CFABMO CN(C)[C@H]1c2ccccc2[C@@H]2C[N@H+](CC3CC3)C[C@@H]21 ZINC000096058315 375468033 /nfs/dbraw/zinc/46/80/33/375468033.db2.gz USNSOQNOYAKTBZ-ULQDDVLXSA-N 1 1 256.393 2.728 40 0 CFABMO Cc1ccc(C[N@@H+]2C[C@H]3CN(C(=O)C4CCC4)C[C@H]3C2)cc1 ZINC000096161742 375471557 /nfs/dbraw/zinc/47/15/57/375471557.db2.gz QQMVGIMNEYTYFU-HDICACEKSA-N 1 1 298.430 2.685 40 0 CFABMO c1csc(C[N@@H+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c1 ZINC000096184637 375475108 /nfs/dbraw/zinc/47/51/08/375475108.db2.gz RBXJIAVWEFDIFQ-DLBZAZTESA-N 1 1 299.443 2.992 40 0 CFABMO CO[C@@H]1CC[N@@H+](Cc2nccs2)[C@H]1Cc1ccccc1 ZINC000096200055 375477747 /nfs/dbraw/zinc/47/77/47/375477747.db2.gz KOMBJEOJWYDIRC-LSDHHAIUSA-N 1 1 288.416 2.975 40 0 CFABMO c1cnc(N2CCC[C@]3(CC[N@H+](CC4CCC4)C3)C2)nc1 ZINC000096216941 375479287 /nfs/dbraw/zinc/47/92/87/375479287.db2.gz QRAPNJXEBBIZTA-QGZVFWFLSA-N 1 1 286.423 2.569 40 0 CFABMO O=C1C[C@@]2(CC[N@@H+](CC3CC3)C2)CN1c1ccsc1 ZINC000096239274 375481629 /nfs/dbraw/zinc/48/16/29/375481629.db2.gz IVZHCDYIPRBIPH-OAHLLOKOSA-N 1 1 276.405 2.587 40 0 CFABMO c1coc(CN2C[C@@H]3CC[N@@H+](Cc4ccco4)[C@@H]3C2)c1 ZINC000096246072 375482025 /nfs/dbraw/zinc/48/20/25/375482025.db2.gz VNCRKFGFDGZGHP-XJKSGUPXSA-N 1 1 272.348 2.579 40 0 CFABMO c1coc(CN2CC[C@H]3C[N@H+](Cc4ccco4)C[C@H]32)c1 ZINC000096246072 375482032 /nfs/dbraw/zinc/48/20/32/375482032.db2.gz VNCRKFGFDGZGHP-XJKSGUPXSA-N 1 1 272.348 2.579 40 0 CFABMO c1coc(CN2CC[C@H]3C[N@@H+](Cc4ccco4)C[C@H]32)c1 ZINC000096246072 375482041 /nfs/dbraw/zinc/48/20/41/375482041.db2.gz VNCRKFGFDGZGHP-XJKSGUPXSA-N 1 1 272.348 2.579 40 0 CFABMO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](C(C)C)C[C@@H]12 ZINC000096251846 375482394 /nfs/dbraw/zinc/48/23/94/375482394.db2.gz NPAMZSABRLNJPF-MSOLQXFVSA-N 1 1 286.419 2.659 40 0 CFABMO COc1ccccc1C[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000256054744 190005390 /nfs/dbraw/zinc/00/53/90/190005390.db2.gz XOVYNBFKXBAEOJ-UHFFFAOYSA-N 1 1 299.296 2.737 40 0 CFABMO CCN(CC)CC[NH2+]Cc1cn(C2CCCC2)nc1C ZINC000256050259 190003014 /nfs/dbraw/zinc/00/30/14/190003014.db2.gz DIQLPPJMJLEKLS-UHFFFAOYSA-N 1 1 278.444 2.738 40 0 CFABMO CCCn1cc(C[NH2+]Cc2ccnn2[C@H](C)CC)cn1 ZINC000256051708 190003914 /nfs/dbraw/zinc/00/39/14/190003914.db2.gz KGYAWSVVOQOSOB-CYBMUJFWSA-N 1 1 275.400 2.750 40 0 CFABMO CCOc1ccc(C[NH2+]Cc2ccn(CC)n2)cc1 ZINC000256054058 190004698 /nfs/dbraw/zinc/00/46/98/190004698.db2.gz UTYWLZDALKCJKW-UHFFFAOYSA-N 1 1 259.353 2.592 40 0 CFABMO C[N@H+]1CCC[C@@H](Cc2cnc(Br)cn2)CC1 ZINC000257197805 190009836 /nfs/dbraw/zinc/00/98/36/190009836.db2.gz JSEFSYNKRKUMOA-SNVBAGLBSA-N 1 1 284.201 2.514 40 0 CFABMO COc1cc(C[NH2+]Cc2ccn(CC(C)C)n2)ccc1O ZINC000256054636 190005594 /nfs/dbraw/zinc/00/55/94/190005594.db2.gz XDJHCDHKFLAIRD-UHFFFAOYSA-N 1 1 289.379 2.543 40 0 CFABMO CN1C(=O)CCC[C@H]2C[N@H+](Cc3ccsc3)CC[C@H]21 ZINC000257203407 190011172 /nfs/dbraw/zinc/01/11/72/190011172.db2.gz APXFCCXWGSFXMR-UONOGXRCSA-N 1 1 278.421 2.581 40 0 CFABMO CC(C)n1nccc1-c1cnc([C@H]2CCC[N@@H+](C)C2)cn1 ZINC000257203089 190011874 /nfs/dbraw/zinc/01/18/74/190011874.db2.gz AOQLESJILYYMCB-ZDUSSCGKSA-N 1 1 285.395 2.730 40 0 CFABMO c1ncc(C[N@@H+]2CCC[C@H](Cc3cccnc3)C2)s1 ZINC000257227321 190015403 /nfs/dbraw/zinc/01/54/03/190015403.db2.gz FOSIBNJSSOBLNO-CQSZACIVSA-N 1 1 273.405 2.993 40 0 CFABMO Cc1nccc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000257230117 190016566 /nfs/dbraw/zinc/01/65/66/190016566.db2.gz GAWYJQZJCPODTC-HNNXBMFYSA-N 1 1 268.364 2.560 40 0 CFABMO CO[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C[C@@]12CCCO2 ZINC000257223323 190014438 /nfs/dbraw/zinc/01/44/38/190014438.db2.gz DWVSCUSTVQMEQQ-IRXDYDNUSA-N 1 1 275.392 2.765 40 0 CFABMO Cc1cnccc1C[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000257261770 190022029 /nfs/dbraw/zinc/02/20/29/190022029.db2.gz LISJXHZTSOKLIN-HNNXBMFYSA-N 1 1 268.364 2.560 40 0 CFABMO Cc1nccc(C[N@H+]2CCC[C@H](c3nccs3)C2)n1 ZINC000257263124 190022132 /nfs/dbraw/zinc/02/21/32/190022132.db2.gz LONKPNPGLJOJII-LBPRGKRZSA-N 1 1 274.393 2.621 40 0 CFABMO Fc1cccc(C[N@H+]2CCC[C@@H](c3ccncn3)C2)c1 ZINC000257261351 190022183 /nfs/dbraw/zinc/02/21/83/190022183.db2.gz LGYTULICYDHXKM-CQSZACIVSA-N 1 1 271.339 2.995 40 0 CFABMO CCn1cc(-c2cnc([C@@H]3CCC[N@H+](C(C)C)C3)cn2)cn1 ZINC000257263428 190022403 /nfs/dbraw/zinc/02/24/03/190022403.db2.gz LPWXKVQZIVDCCX-CQSZACIVSA-N 1 1 299.422 2.948 40 0 CFABMO Cc1nccc([C@H]2C[N@H+](C3CCCCCC3)CCO2)n1 ZINC000257284081 190026452 /nfs/dbraw/zinc/02/64/52/190026452.db2.gz PBEFUXQRPBFSCL-MRXNPFEDSA-N 1 1 275.396 2.881 40 0 CFABMO CCCn1nccc1-c1cncc(C[C@H]2CCC[N@@H+](C)C2)n1 ZINC000257286607 190026791 /nfs/dbraw/zinc/02/67/91/190026791.db2.gz PMFLYXUQUOARKK-CQSZACIVSA-N 1 1 299.422 2.634 40 0 CFABMO Cc1ncsc1C[N@@H+]1CCC[C@H]1c1cncc(C)n1 ZINC000257290369 190027468 /nfs/dbraw/zinc/02/74/68/190027468.db2.gz QCRVGXKKRBFQDE-ZDUSSCGKSA-N 1 1 274.393 2.887 40 0 CFABMO Cc1ncsc1C[N@H+]1CCC[C@H]1c1cncc(C)n1 ZINC000257290369 190027469 /nfs/dbraw/zinc/02/74/69/190027469.db2.gz QCRVGXKKRBFQDE-ZDUSSCGKSA-N 1 1 274.393 2.887 40 0 CFABMO CN1CCC([N@H+]2CCC[C@@H]2CCc2ccncc2)CC1 ZINC000257269124 190024270 /nfs/dbraw/zinc/02/42/70/190024270.db2.gz MORBFJPBLUNIBE-MRXNPFEDSA-N 1 1 273.424 2.573 40 0 CFABMO 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/nfs/dbraw/zinc/53/69/86/372536986.db2.gz ROLPJNXSYMGNIP-RBZJEDDUSA-N 1 1 269.429 2.815 40 0 CFABMO CN(Cc1ccc(Cl)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000042439385 372924080 /nfs/dbraw/zinc/92/40/80/372924080.db2.gz PISFTNFEMIPLBF-CYBMUJFWSA-N 1 1 252.789 2.771 40 0 CFABMO Cn1c2ccccc2nc1[C@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC000049171195 373275683 /nfs/dbraw/zinc/27/56/83/373275683.db2.gz VGFIBDDMMXRRMJ-AWEZNQCLSA-N 1 1 292.386 2.958 40 0 biogenic,in-vitro CFABMO Brc1ccc([C@H]2C[N@@H+](C3CC3)CCN2)cc1 ZINC000056894795 373574973 /nfs/dbraw/zinc/57/49/73/373574973.db2.gz ANPKZVQZVZJDNP-CYBMUJFWSA-N 1 1 281.197 2.558 40 0 CFABMO Brc1ccc([C@H]2C[N@H+](C3CC3)CCN2)cc1 ZINC000056894795 373574982 /nfs/dbraw/zinc/57/49/82/373574982.db2.gz ANPKZVQZVZJDNP-CYBMUJFWSA-N 1 1 281.197 2.558 40 0 CFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)C(C)(C)C ZINC000060107985 373688788 /nfs/dbraw/zinc/68/87/88/373688788.db2.gz POVIKDDMUWKKRM-UHFFFAOYSA-N 1 1 271.364 2.843 40 0 CFABMO Cc1nccc(N2CCC[C@H](c3cc[nH+]c(N(C)C)c3)C2)n1 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c1cncc(CN2CCC3(CCC[N@@H+]3CC3CC3)CC2)c1 ZINC000096227890 375480215 /nfs/dbraw/zinc/48/02/15/375480215.db2.gz OWOUGYQKWYNKED-UHFFFAOYSA-N 1 1 285.435 2.922 40 0 CFABMO Cc1ccc(C[N@H+]2CCc3ncnc(C4CC4)c3CC2)o1 ZINC000096255074 375481460 /nfs/dbraw/zinc/48/14/60/375481460.db2.gz KDVYPOATCCQWRU-UHFFFAOYSA-N 1 1 283.375 2.856 40 0 CFABMO CC(C)Cn1cc(C[NH2+]Cc2ccnn2C(C)C)cn1 ZINC000256049880 190003099 /nfs/dbraw/zinc/00/30/99/190003099.db2.gz BVPSINMCOOMZPG-UHFFFAOYSA-N 1 1 275.400 2.606 40 0 CFABMO Cc1nn(C(C)C)cc1C[NH2+]Cc1ccnn1C(F)F ZINC000256050668 190003182 /nfs/dbraw/zinc/00/31/82/190003182.db2.gz GBHSNZQZODZAAW-UHFFFAOYSA-N 1 1 283.326 2.654 40 0 CFABMO Cc1nn(C)cc1C[NH2+]Cc1cc(C2CC2)nn1C(C)C ZINC000256052553 190004083 /nfs/dbraw/zinc/00/40/83/190004083.db2.gz NUJHPZBUTLCJSI-UHFFFAOYSA-N 1 1 287.411 2.673 40 0 CFABMO Cn1cc(C[NH2+]Cc2ccc(F)s2)c(C(F)(F)F)n1 ZINC000256052860 190004610 /nfs/dbraw/zinc/00/46/10/190004610.db2.gz OYNZSGONXFGDPK-UHFFFAOYSA-N 1 1 293.289 2.929 40 0 CFABMO 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40 0 CFABMO COc1cc(C[N@H+]2CC[C@H](c3nc(C)c[nH]3)C2)ccc1F ZINC000257240769 190018264 /nfs/dbraw/zinc/01/82/64/190018264.db2.gz HVDFLWQRCSYACW-ZDUSSCGKSA-N 1 1 289.354 2.855 40 0 CFABMO Cc1cc(-c2cnc([C@@H]3CCC[N@H+](C(C)C)C3)cn2)n[nH]1 ZINC000257266710 190022873 /nfs/dbraw/zinc/02/28/73/190022873.db2.gz MEDKNPCCUAQHCA-CYBMUJFWSA-N 1 1 285.395 2.763 40 0 CFABMO Cc1cnc(Nc2cc([C@@H]3CC[N@H+](C)C3)nc(C)n2)s1 ZINC000257270300 190023988 /nfs/dbraw/zinc/02/39/88/190023988.db2.gz MTPRTFMZJRGACY-LLVKDONJSA-N 1 1 289.408 2.713 40 0 CFABMO Cc1nc(C[N@@H+]2CCC[C@H](Cc3cc[nH]n3)C2)cs1 ZINC000257255693 190021130 /nfs/dbraw/zinc/02/11/30/190021130.db2.gz KIMPJTNVFOPKPN-GFCCVEGCSA-N 1 1 276.409 2.629 40 0 CFABMO Cc1nc(C[N@H+]2CCC[C@H](Cc3cc[nH]n3)C2)cs1 ZINC000257255693 190021131 /nfs/dbraw/zinc/02/11/31/190021131.db2.gz KIMPJTNVFOPKPN-GFCCVEGCSA-N 1 1 276.409 2.629 40 0 CFABMO Cc1cccc(C[C@@H]2CCC[N@H+](Cc3ccn(C)n3)C2)n1 ZINC000257261312 190022654 /nfs/dbraw/zinc/02/26/54/190022654.db2.gz 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190037110 /nfs/dbraw/zinc/03/71/10/190037110.db2.gz ZFNQVHQTFVJOQD-CYBMUJFWSA-N 1 1 290.436 2.873 40 0 CFABMO Cc1cn(C)c([C@@H]2CCC[N@@H+](Cc3csc(C)n3)C2)n1 ZINC000257340328 190037111 /nfs/dbraw/zinc/03/71/11/190037111.db2.gz ZFNQVHQTFVJOQD-CYBMUJFWSA-N 1 1 290.436 2.873 40 0 CFABMO Cc1ccc(C[C@@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)cn1 ZINC000257342869 190037568 /nfs/dbraw/zinc/03/75/68/190037568.db2.gz ZQKZOYSHUDHAKW-HNNXBMFYSA-N 1 1 270.380 2.568 40 0 CFABMO Cc1ccc(C[C@@H]2CCC[N@H+](Cc3c[nH]cn3)C2)cn1 ZINC000257342869 190037569 /nfs/dbraw/zinc/03/75/69/190037569.db2.gz ZQKZOYSHUDHAKW-HNNXBMFYSA-N 1 1 270.380 2.568 40 0 CFABMO Cc1ccc(C[C@@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)cn1 ZINC000257342869 190037570 /nfs/dbraw/zinc/03/75/70/190037570.db2.gz ZQKZOYSHUDHAKW-HNNXBMFYSA-N 1 1 270.380 2.568 40 0 CFABMO N[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1OC1CCCC1 ZINC000218886096 382791307 /nfs/dbraw/zinc/79/13/07/382791307.db2.gz VSMZIVJWKZRLRD-QXSJWSMHSA-N 1 1 266.429 2.726 40 0 CFABMO COC(=O)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000228981035 382849596 /nfs/dbraw/zinc/84/95/96/382849596.db2.gz OQJVKTAEZWJYFR-MQVJKMGUSA-N 1 1 273.376 2.993 40 0 CFABMO c1cc(C[N@@H+]2CC[C@@H]3O[C@H](COCC4CC4)CC[C@@H]32)co1 ZINC000247897850 383198734 /nfs/dbraw/zinc/19/87/34/383198734.db2.gz VCTOAQVQADJOGT-ULQDDVLXSA-N 1 1 291.391 2.828 40 0 CFABMO COC[C@H]1CCOC12C[NH+](Cc1cc(C)ccc1C)C2 ZINC000247918658 383200277 /nfs/dbraw/zinc/20/02/77/383200277.db2.gz ZWJMDCKTBGYMIB-MRXNPFEDSA-N 1 1 275.392 2.541 40 0 CFABMO C[C@@]1(CO)C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000253380244 383453300 /nfs/dbraw/zinc/45/33/00/383453300.db2.gz NEPDTEDKCCEHIC-OLZOCXBDSA-N 1 1 273.298 2.679 40 0 CFABMO CCOC[C@@H]1CCOC12C[NH+](Cc1cc(C)ccc1C)C2 ZINC000253385795 383453656 /nfs/dbraw/zinc/45/36/56/383453656.db2.gz UOVBCALMCVQMRH-KRWDZBQOSA-N 1 1 289.419 2.931 40 0 CFABMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@]1(CO)C(F)(F)F ZINC000253380276 383453727 /nfs/dbraw/zinc/45/37/27/383453727.db2.gz YRQQNNUMEBZONG-WCQYABFASA-N 1 1 273.298 2.679 40 0 CFABMO COc1ccc2c(c1)[C@@]13CC[N@@H+](C)[C@@H](C2)[C@@H]1[C@H](C)CC(=O)C3 ZINC000253504364 383461750 /nfs/dbraw/zinc/46/17/50/383461750.db2.gz FVZCKWRBLLZDHV-JNPHEJMOSA-N 1 1 299.414 2.808 40 0 biogenic,in-vitro CFABMO c1cc2n(c1)C[C@@H](OCc1ccncc1)C[N@H+](CC1CC1)C2 ZINC000253588380 383463952 /nfs/dbraw/zinc/46/39/52/383463952.db2.gz APHGROSVTCZNOU-SFHVURJKSA-N 1 1 297.402 2.694 40 0 CFABMO c1cc2n(c1)C[C@H](OCc1cccnc1)C[N@H+](CC1CC1)C2 ZINC000253588457 383463969 /nfs/dbraw/zinc/46/39/69/383463969.db2.gz DJLMEPYIXFDMMW-GOSISDBHSA-N 1 1 297.402 2.694 40 0 CFABMO Cc1cccc(N2CCC[C@H]([N@@H+](C)Cc3cccnc3)C2)n1 ZINC000257201347 383493702 /nfs/dbraw/zinc/49/37/02/383493702.db2.gz AHHMZDNISJAZDW-KRWDZBQOSA-N 1 1 296.418 2.886 40 0 CFABMO CC(C)n1nccc1-c1nccnc1[C@@H]1CCC[N@@H+](C)C1 ZINC000257330696 383494814 /nfs/dbraw/zinc/49/48/14/383494814.db2.gz XPNORULFGBCFQC-CYBMUJFWSA-N 1 1 285.395 2.730 40 0 CFABMO Cc1c[nH]nc1[C@@H]1CCCC[N@H+]1CC1CCOCC1 ZINC000257296689 383495082 /nfs/dbraw/zinc/49/50/82/383495082.db2.gz RDYNTWPXYQLBSX-AWEZNQCLSA-N 1 1 263.385 2.672 40 0 CFABMO Cc1cn[nH]c1[C@@H]1CCCC[N@@H+]1CC1CCOCC1 ZINC000257296689 383495085 /nfs/dbraw/zinc/49/50/85/383495085.db2.gz RDYNTWPXYQLBSX-AWEZNQCLSA-N 1 1 263.385 2.672 40 0 CFABMO Cc1cn[nH]c1[C@@H]1CCCC[N@H+]1CC1CCOCC1 ZINC000257296689 383495090 /nfs/dbraw/zinc/49/50/90/383495090.db2.gz RDYNTWPXYQLBSX-AWEZNQCLSA-N 1 1 263.385 2.672 40 0 CFABMO Cc1cc(-c2nccnc2[C@H]2CCC[N@@H+]2C(C)C)n[nH]1 ZINC000257301906 383495406 /nfs/dbraw/zinc/49/54/06/383495406.db2.gz SALXGASWJMVOOB-CYBMUJFWSA-N 1 1 271.368 2.720 40 0 CFABMO CNc1cc([C@H]2CCCN(c3nc(C)cc(C)n3)C2)cc[nH+]1 ZINC000257323019 383495444 /nfs/dbraw/zinc/49/54/44/383495444.db2.gz WIKZFJHSTZFYGP-HNNXBMFYSA-N 1 1 297.406 2.914 40 0 CFABMO FC(F)(F)CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280565480 385063754 /nfs/dbraw/zinc/06/37/54/385063754.db2.gz VGFCJFPIOVZZBP-OKILXGFUSA-N 1 1 284.325 2.613 40 0 CFABMO COc1ccc(CN[C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000012489660 393474152 /nfs/dbraw/zinc/47/41/52/393474152.db2.gz DAGGEUHIWOTDNG-YDHLFZDLSA-N 1 1 292.423 2.522 40 0 CFABMO Cc1[nH+]c(N2CCCC2)ccc1[C@@H]1CCCCN1C=O ZINC000072218952 393646022 /nfs/dbraw/zinc/64/60/22/393646022.db2.gz KEBAEMBABDTOHC-HNNXBMFYSA-N 1 1 273.380 2.674 40 0 CFABMO CCN(C)c1cc(C)c([C@@H](O)c2ccccc2)c[nH+]1 ZINC000072223239 393646635 /nfs/dbraw/zinc/64/66/35/393646635.db2.gz QTDDPHDNOADGEI-INIZCTEOSA-N 1 1 256.349 2.928 40 0 CFABMO CCc1ccc([C@@H]2[C@@H]([NH3+])C(=O)N2c2ccc(OC)cc2)cc1 ZINC000072227180 393646992 /nfs/dbraw/zinc/64/69/92/393646992.db2.gz RYBFIYBCLOFPOK-IAGOWNOFSA-N 1 1 296.370 2.673 40 0 CFABMO CCc1ccc([C@@H]2[C@H]([NH3+])C(=O)N2c2ccc(F)cc2)cc1 ZINC000072227246 393647614 /nfs/dbraw/zinc/64/76/14/393647614.db2.gz CUKFXJJYRFFLTG-JKSUJKDBSA-N 1 1 284.334 2.803 40 0 CFABMO [NH3+][C@@H]1C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccc1F ZINC000072227983 393648472 /nfs/dbraw/zinc/64/84/72/393648472.db2.gz XBPBJCHOWUXGAO-KBPBESRZSA-N 1 1 290.725 2.894 40 0 CFABMO CCc1ccc([C@@H]2[C@@H]([NH3+])C(=O)N2c2cccc(C)c2)cc1 ZINC000072227440 393648675 /nfs/dbraw/zinc/64/86/75/393648675.db2.gz HNPFSCDVGLTFNN-IAGOWNOFSA-N 1 1 280.371 2.973 40 0 CFABMO [NH3+][C@@H]1C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(Cl)cc1 ZINC000072227643 393648996 /nfs/dbraw/zinc/64/89/96/393648996.db2.gz MRFSIQKXUOCXNM-KBPBESRZSA-N 1 1 290.725 2.894 40 0 CFABMO CCc1ccc(N2C(=O)[C@H]([NH3+])[C@H]2c2ccccc2)cc1 ZINC000072228000 393649090 /nfs/dbraw/zinc/64/90/90/393649090.db2.gz IVAZKTYIERTUMT-HZPDHXFCSA-N 1 1 266.344 2.664 40 0 CFABMO CCc1ccc([C@@H]2[C@H]([NH3+])C(=O)N2c2cccc(C)c2)cc1 ZINC000072227438 393649261 /nfs/dbraw/zinc/64/92/61/393649261.db2.gz HNPFSCDVGLTFNN-DLBZAZTESA-N 1 1 280.371 2.973 40 0 CFABMO Cc1ccc([C@@H]2[C@@H]([NH3+])C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000072228192 393650325 /nfs/dbraw/zinc/65/03/25/393650325.db2.gz KHWAWXITJWCLBB-HZPDHXFCSA-N 1 1 284.334 2.545 40 0 CFABMO COCC[NH+]1CCC(c2nc3ccc(C)cc3[nH]2)CC1 ZINC000072367888 393650373 /nfs/dbraw/zinc/65/03/73/393650373.db2.gz OMICOPNEAIWZQB-UHFFFAOYSA-N 1 1 273.380 2.697 40 0 CFABMO O=C(c1ccco1)N1CC[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000238927867 393796931 /nfs/dbraw/zinc/79/69/31/393796931.db2.gz UUOLSNIQAIHWIK-MRXNPFEDSA-N 1 1 296.370 2.552 40 0 CFABMO CC(C)CC(=O)OC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000005384163 170092768 /nfs/dbraw/zinc/09/27/68/170092768.db2.gz XDCAWKGUGMQZGF-ZIAGYGMSSA-N 1 1 253.386 2.840 40 0 biogenic,in-vitro CFABMO Cc1ccc(NC(=S)NC[C@@H]2CCC[N@H+](C)C2)cc1C ZINC000009876169 170388189 /nfs/dbraw/zinc/38/81/89/170388189.db2.gz XSVCIOUIWRIACG-AWEZNQCLSA-N 1 1 291.464 2.932 40 0 CFABMO c1ccc2[nH]c([C@H]3CC[N@H+](Cc4cccnc4)C3)nc2c1 ZINC000035446648 172202615 /nfs/dbraw/zinc/20/26/15/172202615.db2.gz HZMNOIDMRYRMNR-AWEZNQCLSA-N 1 1 278.359 2.947 40 0 biogenic,in-vitro CFABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCC(C)C)cc1 ZINC000038832420 174157324 /nfs/dbraw/zinc/15/73/24/174157324.db2.gz LTZWKLDKZUVFBR-UHFFFAOYSA-N 1 1 271.364 2.626 40 0 CFABMO NC(=O)C[C@@H]([NH3+])c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000044253015 175156321 /nfs/dbraw/zinc/15/63/21/175156321.db2.gz MWCNOWHTJLGHGH-SNVBAGLBSA-N 1 1 298.264 2.841 40 0 CFABMO NC(=O)C[C@H]([NH3+])c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000044253024 175156357 /nfs/dbraw/zinc/15/63/57/175156357.db2.gz JZIPQAUZLNCYAD-JTQLQIEISA-N 1 1 298.264 2.841 40 0 CFABMO Cc1ccsc1CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000072324472 176369852 /nfs/dbraw/zinc/36/98/52/176369852.db2.gz HBMBWBRSPONVQT-STQMWFEESA-N 1 1 250.411 2.725 40 0 CFABMO Cc1cc(Nc2ncccn2)cc([C@H]2CCC[N@H+](C)C2)n1 ZINC000072354273 176374915 /nfs/dbraw/zinc/37/49/15/176374915.db2.gz BICBSWDWRZJBIN-ZDUSSCGKSA-N 1 1 283.379 2.733 40 0 CFABMO Cc1cccc(Nc2cnc([C@H]3CCC[N@H+](C)C3)cn2)n1 ZINC000072361550 176377547 /nfs/dbraw/zinc/37/75/47/176377547.db2.gz GIYJDXUIDTUTRS-ZDUSSCGKSA-N 1 1 283.379 2.733 40 0 CFABMO Fc1ccc(C[N@H+]2CCC[C@@H](c3cnccn3)C2)cc1 ZINC000072363725 176378051 /nfs/dbraw/zinc/37/80/51/176378051.db2.gz AHXVBWUIIAMNCK-CQSZACIVSA-N 1 1 271.339 2.995 40 0 CFABMO CNc1cccc([C@H]2CCC[N@@H+](Cc3ccncc3)C2)n1 ZINC000072363782 176378306 /nfs/dbraw/zinc/37/83/06/176378306.db2.gz YEQJEYGTOLJTHC-HNNXBMFYSA-N 1 1 282.391 2.898 40 0 CFABMO Cn1cc(C[N@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)cn1 ZINC000072367982 176382312 /nfs/dbraw/zinc/38/23/12/176382312.db2.gz YKGVXZZEXJBHLP-AWEZNQCLSA-N 1 1 295.390 2.676 40 0 CFABMO CC(C)[N@H+]1CCC[C@@H](c2ccnc(Nc3cnccn3)n2)C1 ZINC000072377465 176385946 /nfs/dbraw/zinc/38/59/46/176385946.db2.gz ZHGGZKSUPCWNGV-CYBMUJFWSA-N 1 1 298.394 2.598 40 0 CFABMO c1csc(C[C@@H]2CC[N@@H+](Cc3ccccn3)C2)n1 ZINC000072381597 176387716 /nfs/dbraw/zinc/38/77/16/176387716.db2.gz NWDUODCQMOEIEX-LBPRGKRZSA-N 1 1 259.378 2.603 40 0 CFABMO Cc1cc(Nc2ncccn2)nc([C@H]2CCC[N@@H+]2C(C)C)n1 ZINC000072382386 176388324 /nfs/dbraw/zinc/38/83/24/176388324.db2.gz HHAUJRQBLKKEJH-CYBMUJFWSA-N 1 1 298.394 2.864 40 0 CFABMO C[N@H+]1CCC[C@H](c2ccc(NCC(F)F)cn2)C1 ZINC000072383421 176388903 /nfs/dbraw/zinc/38/89/03/176388903.db2.gz IAXGPXJCHMJSQL-JTQLQIEISA-N 1 1 255.312 2.568 40 0 CFABMO Nc1nccc([C@H]2CCCC[N@@H+]2Cc2cccc(F)c2)n1 ZINC000072385357 176389909 /nfs/dbraw/zinc/38/99/09/176389909.db2.gz HZQHUKYMGHCHBO-OAHLLOKOSA-N 1 1 286.354 2.925 40 0 CFABMO Nc1nccc([C@H]2CCCC[N@H+]2Cc2cccc(F)c2)n1 ZINC000072385357 176389910 /nfs/dbraw/zinc/38/99/10/176389910.db2.gz HZQHUKYMGHCHBO-OAHLLOKOSA-N 1 1 286.354 2.925 40 0 CFABMO Cc1c(C[N@H+]2CCC[C@H](Cc3nccs3)C2)cnn1C ZINC000072385656 176390333 /nfs/dbraw/zinc/39/03/33/176390333.db2.gz ZRICJUYRZZNPEQ-CYBMUJFWSA-N 1 1 290.436 2.640 40 0 CFABMO COCC[N@@H+]1CC[C@@H]1c1cc(NC2CCCC2)nc(C)n1 ZINC000072387440 176392699 /nfs/dbraw/zinc/39/26/99/176392699.db2.gz RNBRRKLOOABTLF-OAHLLOKOSA-N 1 1 290.411 2.533 40 0 CFABMO COCC[N@H+]1CC[C@@H]1c1cc(NC2CCCC2)nc(C)n1 ZINC000072387440 176392701 /nfs/dbraw/zinc/39/27/01/176392701.db2.gz RNBRRKLOOABTLF-OAHLLOKOSA-N 1 1 290.411 2.533 40 0 CFABMO Cc1cc(C)n(-c2cccc(C[N@H+]3CCC[C@@H](CO)C3)c2)n1 ZINC000072397853 176395550 /nfs/dbraw/zinc/39/55/50/176395550.db2.gz BYNJAADZIQNUMU-QGZVFWFLSA-N 1 1 299.418 2.693 40 0 CFABMO Cc1ccc(C2=NO[C@H]3C[N@H+](Cc4ccccn4)C[C@@H]23)cc1 ZINC000072398487 176396467 /nfs/dbraw/zinc/39/64/67/176396467.db2.gz BIQCIQUCYIYYGR-SJORKVTESA-N 1 1 293.370 2.625 40 0 CFABMO Cc1ccc(C2=NO[C@H]3C[N@@H+](Cc4ccccn4)C[C@@H]23)cc1 ZINC000072398487 176396468 /nfs/dbraw/zinc/39/64/68/176396468.db2.gz BIQCIQUCYIYYGR-SJORKVTESA-N 1 1 293.370 2.625 40 0 CFABMO Cc1ccc(C2=NO[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]23)cc1 ZINC000072398486 176396476 /nfs/dbraw/zinc/39/64/76/176396476.db2.gz KEPAOPWPAXCDAD-IAGOWNOFSA-N 1 1 293.370 2.625 40 0 CFABMO Cc1ccc(C2=NO[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]23)cc1 ZINC000072398486 176396477 /nfs/dbraw/zinc/39/64/77/176396477.db2.gz KEPAOPWPAXCDAD-IAGOWNOFSA-N 1 1 293.370 2.625 40 0 CFABMO CCCn1cc(C[NH2+]Cc2cc(F)ccc2F)cn1 ZINC000116916746 528845685 /nfs/dbraw/zinc/84/56/85/528845685.db2.gz UVMQOJPSIJHOSW-UHFFFAOYSA-N 1 1 265.307 2.861 40 0 CFABMO [NH3+][C@H](c1nc(-c2ccco2)n[nH]1)c1ccc(Cl)cc1 ZINC000095533931 185006448 /nfs/dbraw/zinc/00/64/48/185006448.db2.gz QFKFPNDIIBCXLS-NSHDSACASA-N 1 1 274.711 2.766 40 0 CFABMO Cc1cccc(-c2nnc([C@@H]([NH3+])c3ccccc3)[nH]2)c1 ZINC000095533469 185007155 /nfs/dbraw/zinc/00/71/55/185007155.db2.gz CCJZVQFWSIYRTQ-AWEZNQCLSA-N 1 1 264.332 2.828 40 0 CFABMO COC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cccs1)C2 ZINC000096038968 185069321 /nfs/dbraw/zinc/06/93/21/185069321.db2.gz PBHNFRYUBRNYML-GJZGRUSLSA-N 1 1 281.421 2.766 40 0 CFABMO Cc1ccc(CN2CC3(C2)CC[N@@H+](Cc2ccncc2)C3)o1 ZINC000096046429 185071607 /nfs/dbraw/zinc/07/16/07/185071607.db2.gz MDKYMWZUWFQUHG-UHFFFAOYSA-N 1 1 297.402 2.691 40 0 CFABMO c1csc(CN2CCC3(CC[N@H+](CC4CC4)C3)CC2)n1 ZINC000096046622 185071894 /nfs/dbraw/zinc/07/18/94/185071894.db2.gz VNOJBCFZBWJDQK-UHFFFAOYSA-N 1 1 291.464 2.841 40 0 CFABMO CC[C@@H]1[N@@H+](Cc2ccsc2)CCC[C@]12CCC(=O)N2 ZINC000096052393 185074424 /nfs/dbraw/zinc/07/44/24/185074424.db2.gz HJKONKOJSGTKBJ-ZFWWWQNUSA-N 1 1 278.421 2.771 40 0 CFABMO COC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccsc1)CCO2 ZINC000096051838 185074973 /nfs/dbraw/zinc/07/49/73/185074973.db2.gz PDKNWDIORSDJHV-LSDHHAIUSA-N 1 1 281.421 2.766 40 0 CFABMO COC[C@@H]1CCC[C@@]12C[N@@H+](Cc1ccsc1)CCO2 ZINC000096051838 185074974 /nfs/dbraw/zinc/07/49/74/185074974.db2.gz PDKNWDIORSDJHV-LSDHHAIUSA-N 1 1 281.421 2.766 40 0 CFABMO COC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000096056717 185077897 /nfs/dbraw/zinc/07/78/97/185077897.db2.gz SNXMDLDSVAGHFS-IRXDYDNUSA-N 1 1 293.382 2.843 40 0 CFABMO CC[C@@H](C)[N@H+]1CCc2ncnc(-c3ccncc3)c2CC1 ZINC000096066745 185083849 /nfs/dbraw/zinc/08/38/49/185083849.db2.gz DOIMRAFIFFPISM-CYBMUJFWSA-N 1 1 282.391 2.738 40 0 CFABMO O=C(c1ccncc1)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC000096063189 185084782 /nfs/dbraw/zinc/08/47/82/185084782.db2.gz RIHFTFALQHTUHQ-UHFFFAOYSA-N 1 1 299.418 2.562 40 0 CFABMO CC[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(C)o1)C2 ZINC000096071602 185087304 /nfs/dbraw/zinc/08/73/04/185087304.db2.gz BDKZFRWVFFNODQ-MRXNPFEDSA-N 1 1 262.397 2.896 40 0 CFABMO c1nc(C[N@@H+]2CC[C@@]3(C[C@@H](c4ccccc4)CO3)C2)c[nH]1 ZINC000096072142 185088751 /nfs/dbraw/zinc/08/87/51/185088751.db2.gz QPFYVCWUWTUOQR-NVXWUHKLSA-N 1 1 283.375 2.558 40 0 CFABMO c1nc(C[N@H+]2CC[C@@]3(C[C@@H](c4ccccc4)CO3)C2)c[nH]1 ZINC000096072142 185088753 /nfs/dbraw/zinc/08/87/53/185088753.db2.gz QPFYVCWUWTUOQR-NVXWUHKLSA-N 1 1 283.375 2.558 40 0 CFABMO c1ncc(C[N@@H+]2CC[C@@]3(C[C@@H](c4ccccc4)CO3)C2)[nH]1 ZINC000096072142 185088755 /nfs/dbraw/zinc/08/87/55/185088755.db2.gz QPFYVCWUWTUOQR-NVXWUHKLSA-N 1 1 283.375 2.558 40 0 CFABMO c1ncc(C[N@H+]2CC[C@@]3(C[C@@H](c4ccccc4)CO3)C2)[nH]1 ZINC000096072142 185088756 /nfs/dbraw/zinc/08/87/56/185088756.db2.gz QPFYVCWUWTUOQR-NVXWUHKLSA-N 1 1 283.375 2.558 40 0 CFABMO F[C@@H]1C[N@H+](CC2CC2)C[C@@H]1OCc1nc2ccccc2o1 ZINC000096112099 185100498 /nfs/dbraw/zinc/10/04/98/185100498.db2.gz XAZKRTPGZSINHM-DOMZBBRYSA-N 1 1 290.338 2.777 40 0 biogenic,in-vitro CFABMO F[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1OCc1nc2ccccc2o1 ZINC000096112099 185100500 /nfs/dbraw/zinc/10/05/00/185100500.db2.gz XAZKRTPGZSINHM-DOMZBBRYSA-N 1 1 290.338 2.777 40 0 biogenic,in-vitro CFABMO COc1ccc(C[C@H]2C[N@@H+](C)CC[C@@H]2OCC2CC2)cc1 ZINC000096110617 185101325 /nfs/dbraw/zinc/10/13/25/185101325.db2.gz YKZMTDUCAUVMRZ-WMZOPIPTSA-N 1 1 289.419 2.985 40 0 CFABMO C[C@H]1[C@H](c2ccccc2)O[C@](O)(c2ccccc2)C[N@@H+]1C ZINC000015083184 346234419 /nfs/dbraw/zinc/23/44/19/346234419.db2.gz RSAYNUAYZYEOSA-QGTPRVQTSA-N 1 1 283.371 2.924 40 0 CFABMO C[C@H]1[C@H](c2ccccc2)O[C@](O)(c2ccccc2)C[N@H+]1C ZINC000015083184 346234422 /nfs/dbraw/zinc/23/44/22/346234422.db2.gz RSAYNUAYZYEOSA-QGTPRVQTSA-N 1 1 283.371 2.924 40 0 CFABMO CO[C@H]1CCC[N@@H+](Cc2cc[nH]n2)[C@H]1Cc1ccccc1 ZINC000585268984 348738887 /nfs/dbraw/zinc/73/88/87/348738887.db2.gz GNRIBUCESPCKKU-IRXDYDNUSA-N 1 1 285.391 2.632 40 0 CFABMO Cc1ccccc1C(=O)N1CC[C@H]2[C@H]1CC[N@H+]2CC1CC1 ZINC000585108116 348734363 /nfs/dbraw/zinc/73/43/63/348734363.db2.gz MLBYKIZTLVXBMS-DLBZAZTESA-N 1 1 284.403 2.694 40 0 CFABMO CC(=O)c1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C ZINC000004320467 371849083 /nfs/dbraw/zinc/84/90/83/371849083.db2.gz SJVQHTYMNXUMKQ-ZFWWWQNUSA-N 1 1 291.391 2.503 40 0 CFABMO CCc1ccc(C[C@@]2(O)C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000004342785 371850852 /nfs/dbraw/zinc/85/08/52/371850852.db2.gz CZHRRKKPZIBEFS-ZQIUZPCESA-N 1 1 261.409 2.883 40 0 CFABMO CC(=O)O[C@H]1CC[N@H+](CCc2ccccc2)[C@@H](C)[C@H]1C ZINC000004601844 371868503 /nfs/dbraw/zinc/86/85/03/371868503.db2.gz YNNDIBSJMPQCKB-KEYYUXOJSA-N 1 1 275.392 2.891 40 0 CFABMO COc1ccc2cc(C[NH2+]Cc3ccc(C)o3)c(=O)[nH]c2c1 ZINC000013998489 372057036 /nfs/dbraw/zinc/05/70/36/372057036.db2.gz URDLGPRBUAQWJY-UHFFFAOYSA-N 1 1 298.342 2.728 40 0 CFABMO Cc1ccsc1C[N@@H+](Cc1ccccn1)C[C@@H](C)O ZINC000013991500 372057099 /nfs/dbraw/zinc/05/70/99/372057099.db2.gz FSDYLPOACAVJDZ-CYBMUJFWSA-N 1 1 276.405 2.835 40 0 CFABMO Cc1ccccc1OC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000016758577 372119581 /nfs/dbraw/zinc/11/95/81/372119581.db2.gz UOIGYKBOEWYLBQ-SFHVURJKSA-N 1 1 297.398 2.793 40 0 CFABMO C[NH+]1CCN(C(=O)CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000023227790 372254428 /nfs/dbraw/zinc/25/44/28/372254428.db2.gz LMKIKFBLBZKATB-UHFFFAOYSA-N 1 1 288.435 2.691 40 0 CFABMO O=C(NCCC[N@H+]1CCc2ccccc2C1)C1CCCC1 ZINC000029838670 372387322 /nfs/dbraw/zinc/38/73/22/372387322.db2.gz IMHRTWADBRIHQA-UHFFFAOYSA-N 1 1 286.419 2.741 40 0 CFABMO CC[NH+](CC)CCNCCOc1c(C)cccc1C ZINC000041379468 372835563 /nfs/dbraw/zinc/83/55/63/372835563.db2.gz NUSAQEPHZUUHRB-UHFFFAOYSA-N 1 1 264.413 2.614 40 0 CFABMO Fc1ccc2oc([C@H]3CC[N@H+](C4CCOCC4)C3)nc2c1 ZINC000049169154 373273204 /nfs/dbraw/zinc/27/32/04/373273204.db2.gz HZMHKQBAJIRBMY-NSHDSACASA-N 1 1 290.338 2.935 40 0 biogenic,in-vitro CFABMO Cn1cc(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)cn1 ZINC000057605210 373602389 /nfs/dbraw/zinc/60/23/89/373602389.db2.gz IMEQMPWUCXQWFC-QGZVFWFLSA-N 1 1 285.391 2.601 40 0 CFABMO Cc1nnc(Nc2cccc([C@H]3CCC[N@H+](C)C3)n2)s1 ZINC000072375912 374247341 /nfs/dbraw/zinc/24/73/41/374247341.db2.gz YBOBPTXQUIYEHL-NSHDSACASA-N 1 1 289.408 2.794 40 0 CFABMO CC(C)[N@H+](Cc1ccccc1)C[C@@H]1CCCCN1CCO ZINC000079414311 374609636 /nfs/dbraw/zinc/60/96/36/374609636.db2.gz PZZFPJQZGJDJJO-SFHVURJKSA-N 1 1 290.451 2.744 40 0 CFABMO CC(C)N(Cc1ccccc1)C[C@@H]1CCCC[N@@H+]1CCO ZINC000079414311 374609645 /nfs/dbraw/zinc/60/96/45/374609645.db2.gz PZZFPJQZGJDJJO-SFHVURJKSA-N 1 1 290.451 2.744 40 0 CFABMO CC(C)N(Cc1ccccc1)C[C@@H]1CCCC[N@H+]1CCO ZINC000079414311 374609656 /nfs/dbraw/zinc/60/96/56/374609656.db2.gz PZZFPJQZGJDJJO-SFHVURJKSA-N 1 1 290.451 2.744 40 0 CFABMO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1nccs1 ZINC000079438518 374612004 /nfs/dbraw/zinc/61/20/04/374612004.db2.gz VCUOTRDUUFDWEQ-WDEREUQCSA-N 1 1 297.424 2.803 40 0 CFABMO CC(C)Oc1ccc(NC(=O)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000082331899 374737136 /nfs/dbraw/zinc/73/71/36/374737136.db2.gz QOCDGQAIQKSARF-CYBMUJFWSA-N 1 1 276.380 2.754 40 0 CFABMO C[C@H]([NH3+])c1nc(-c2ccccc2C(F)(F)F)no1 ZINC000089262320 374892797 /nfs/dbraw/zinc/89/27/97/374892797.db2.gz MADWNEYPRDOTPL-LURJTMIESA-N 1 1 257.215 2.775 40 0 CFABMO C[N@H+]1CCC[C@H]1C1=CCCN(Cc2ccccc2)C1 ZINC000095097614 375416020 /nfs/dbraw/zinc/41/60/20/375416020.db2.gz BGINDFUNNUXUQT-KRWDZBQOSA-N 1 1 256.393 2.913 40 0 CFABMO CN1CCC[C@H]1C1=CCC[N@H+](Cc2ccccc2)C1 ZINC000095097614 375416043 /nfs/dbraw/zinc/41/60/43/375416043.db2.gz BGINDFUNNUXUQT-KRWDZBQOSA-N 1 1 256.393 2.913 40 0 CFABMO CN1CCC[C@H]1C1=CCC[N@@H+](Cc2ccccc2)C1 ZINC000095097614 375416049 /nfs/dbraw/zinc/41/60/49/375416049.db2.gz BGINDFUNNUXUQT-KRWDZBQOSA-N 1 1 256.393 2.913 40 0 CFABMO COC[C@@H]1Cn2nccc2C[N@@H+](CC2CCCCC2)C1 ZINC000096188916 375475694 /nfs/dbraw/zinc/47/56/94/375475694.db2.gz SXKGFLMBAFVEDV-HNNXBMFYSA-N 1 1 277.412 2.542 40 0 CFABMO CCOC[C@@H]1CCC2(CCN(Cc3ccco3)CC2)[N@H+]1C ZINC000096209497 375477385 /nfs/dbraw/zinc/47/73/85/375477385.db2.gz 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/nfs/dbraw/zinc/00/40/04/190004004.db2.gz KGYAWSVVOQOSOB-ZDUSSCGKSA-N 1 1 275.400 2.750 40 0 CFABMO CC(C)Cn1cc(C[NH2+]Cc2cc(C(C)C)nn2C)cn1 ZINC000256053048 190004616 /nfs/dbraw/zinc/00/46/16/190004616.db2.gz PTOAPXUQIGDQPD-UHFFFAOYSA-N 1 1 289.427 2.686 40 0 CFABMO CCC(=O)N1N=C2[C@H]([C@@H]1c1ccco1)[C@@H](C)[N@@H+](C)C[C@@H]2C ZINC000101236055 375633962 /nfs/dbraw/zinc/63/39/62/375633962.db2.gz URLGZASRDBGECB-CIGZNWKYSA-N 1 1 289.379 2.515 40 0 CFABMO CN1CC[N@H+](Cc2cncs2)C[C@H]1c1ccccc1 ZINC000257200433 190010811 /nfs/dbraw/zinc/01/08/11/190010811.db2.gz ADHYRADWCUTVEK-HNNXBMFYSA-N 1 1 273.405 2.632 40 0 CFABMO CN1CC[N@@H+](Cc2cncs2)C[C@H]1c1ccccc1 ZINC000257200433 190010812 /nfs/dbraw/zinc/01/08/12/190010812.db2.gz ADHYRADWCUTVEK-HNNXBMFYSA-N 1 1 273.405 2.632 40 0 CFABMO C[N@@H+]1CCN(Cc2cncs2)C[C@H]1c1ccccc1 ZINC000257200433 190010813 /nfs/dbraw/zinc/01/08/13/190010813.db2.gz ADHYRADWCUTVEK-HNNXBMFYSA-N 1 1 273.405 2.632 40 0 CFABMO C[N@H+]1CCN(Cc2cncs2)C[C@H]1c1ccccc1 ZINC000257200433 190010814 /nfs/dbraw/zinc/01/08/14/190010814.db2.gz ADHYRADWCUTVEK-HNNXBMFYSA-N 1 1 273.405 2.632 40 0 CFABMO Cc1ncsc1C[N@@H+]1CCC[C@H]1c1cnccn1 ZINC000257232913 190016817 /nfs/dbraw/zinc/01/68/17/190016817.db2.gz GMYKPQVOIOMNGM-LBPRGKRZSA-N 1 1 260.366 2.579 40 0 CFABMO Cc1ncsc1C[N@H+]1CCC[C@H]1c1cnccn1 ZINC000257232913 190016818 /nfs/dbraw/zinc/01/68/18/190016818.db2.gz GMYKPQVOIOMNGM-LBPRGKRZSA-N 1 1 260.366 2.579 40 0 CFABMO Cn1cc(C[N@H+]2C[C@@H]3C[C@@H](Oc4ccccc4)C[C@@H]3C2)cn1 ZINC000257222180 190014701 /nfs/dbraw/zinc/01/47/01/190014701.db2.gz DSGZBPIZJFUBEQ-VQFNDLOPSA-N 1 1 297.402 2.710 40 0 CFABMO Cc1ccc(C[C@@H]2CC[N@@H+](Cc3ccncc3)C2)nc1 ZINC000257222490 190014795 /nfs/dbraw/zinc/01/47/95/190014795.db2.gz DTLWHFDTIZYWQQ-INIZCTEOSA-N 1 1 267.376 2.850 40 0 CFABMO CC(=O)NCc1cccc([C@@H]2CCC[N@H+]2CC2CCC2)n1 ZINC000257238103 190017725 /nfs/dbraw/zinc/01/77/25/190017725.db2.gz HJPVFLMKYXXGHJ-KRWDZBQOSA-N 1 1 287.407 2.655 40 0 CFABMO Cc1cc(CC[C@@H]2CCC[N@H+]2C2CCOCC2)ccn1 ZINC000257251277 190020368 /nfs/dbraw/zinc/02/03/68/190020368.db2.gz JQBYDFMKDVHZIJ-INIZCTEOSA-N 1 1 274.408 2.966 40 0 CFABMO CC(C)[N@H+]1CCC[C@H](Cc2cnc(-c3cc[nH]n3)cn2)C1 ZINC000257265276 190023279 /nfs/dbraw/zinc/02/32/79/190023279.db2.gz LXYUPKLWGKUZEJ-CYBMUJFWSA-N 1 1 285.395 2.530 40 0 CFABMO Fc1cccc(C[N@H+]2CCC[C@H](c3ccncn3)C2)c1 ZINC000257261350 190022022 /nfs/dbraw/zinc/02/20/22/190022022.db2.gz LGYTULICYDHXKM-AWEZNQCLSA-N 1 1 271.339 2.995 40 0 CFABMO CO[C@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@@]12CCCO2 ZINC000257260243 190022286 /nfs/dbraw/zinc/02/22/86/190022286.db2.gz LBYJTLCXPLCRGW-IRXDYDNUSA-N 1 1 286.375 2.548 40 0 CFABMO Cc1c(C[N@H+]2CCC[C@H](Cc3cccc(C)n3)C2)cnn1C ZINC000257291788 190027499 /nfs/dbraw/zinc/02/74/99/190027499.db2.gz QIPRWENYUQMMJM-MRXNPFEDSA-N 1 1 298.434 2.887 40 0 CFABMO CCCn1nccc1-c1nccnc1C[C@@H]1CCC[N@@H+](C)C1 ZINC000257270093 190024279 /nfs/dbraw/zinc/02/42/79/190024279.db2.gz MSSUNTYCABWKFC-AWEZNQCLSA-N 1 1 299.422 2.634 40 0 CFABMO Cc1cnccc1C[N@@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000257273946 190024392 /nfs/dbraw/zinc/02/43/92/190024392.db2.gz NIXFBXGDHQRELT-INIZCTEOSA-N 1 1 282.391 2.868 40 0 CFABMO Fc1ccc(C[N@@H+]2CCC[C@@H]2c2cnccn2)cc1 ZINC000257295118 190028196 /nfs/dbraw/zinc/02/81/96/190028196.db2.gz QXAWAJLCSMEFDF-OAHLLOKOSA-N 1 1 257.312 2.953 40 0 CFABMO Fc1ccc(C[N@H+]2CCC[C@@H]2c2cnccn2)cc1 ZINC000257295118 190028197 /nfs/dbraw/zinc/02/81/97/190028197.db2.gz QXAWAJLCSMEFDF-OAHLLOKOSA-N 1 1 257.312 2.953 40 0 CFABMO Cc1cc(C[N@@H+]2CCC[C@H](c3ccc4c[nH]nc4n3)C2)no1 ZINC000257301894 190030048 /nfs/dbraw/zinc/03/00/48/190030048.db2.gz SALDTNUKCXFNIJ-ZDUSSCGKSA-N 1 1 297.362 2.634 40 0 CFABMO Cc1cc(C[N@H+]2CCC[C@H](c3ccc4c[nH]nc4n3)C2)no1 ZINC000257301894 190030049 /nfs/dbraw/zinc/03/00/49/190030049.db2.gz SALDTNUKCXFNIJ-ZDUSSCGKSA-N 1 1 297.362 2.634 40 0 CFABMO c1cc([C@H]2CC[N@H+](Cc3ccccc3N3CCCC3)C2)n[nH]1 ZINC000257316203 190032751 /nfs/dbraw/zinc/03/27/51/190032751.db2.gz VEOWPRNIFQNVBW-HNNXBMFYSA-N 1 1 296.418 2.999 40 0 CFABMO c1cc([C@H]2CC[N@@H+](Cc3ccccc3N3CCCC3)C2)[nH]n1 ZINC000257316203 190032752 /nfs/dbraw/zinc/03/27/52/190032752.db2.gz VEOWPRNIFQNVBW-HNNXBMFYSA-N 1 1 296.418 2.999 40 0 CFABMO c1cc([C@H]2CC[N@H+](Cc3ccccc3N3CCCC3)C2)[nH]n1 ZINC000257316203 190032753 /nfs/dbraw/zinc/03/27/53/190032753.db2.gz VEOWPRNIFQNVBW-HNNXBMFYSA-N 1 1 296.418 2.999 40 0 CFABMO COCC[C@H]1CO[C@H]2C[N@@H+](Cc3cc(C)ccc3C)C[C@@H]12 ZINC000306127500 382452674 /nfs/dbraw/zinc/45/26/74/382452674.db2.gz GADGHSYVZDXOPC-SZMVWBNQSA-N 1 1 289.419 2.787 40 0 CFABMO CC(=O)Nc1cc([N@@H+]2CCC[C@@H](C)C2)c(C)cc1N ZINC000216864245 382784848 /nfs/dbraw/zinc/78/48/48/382784848.db2.gz OYYPXDLNWXBISW-SNVBAGLBSA-N 1 1 261.369 2.772 40 0 CFABMO CC(=O)Nc1cc([N@H+]2CCC[C@@H](C)C2)c(C)cc1N ZINC000216864245 382784849 /nfs/dbraw/zinc/78/48/49/382784849.db2.gz OYYPXDLNWXBISW-SNVBAGLBSA-N 1 1 261.369 2.772 40 0 CFABMO N[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1OC1CCCC1 ZINC000218886250 382791271 /nfs/dbraw/zinc/79/12/71/382791271.db2.gz VSMZIVJWKZRLRD-FPCVCCKLSA-N 1 1 266.429 2.726 40 0 CFABMO Nc1ccc([NH+]2CCCCCC2)c(C(=O)NC2CC2)c1 ZINC000225486209 382817119 /nfs/dbraw/zinc/81/71/19/382817119.db2.gz MVCWOHUSYGBCTP-UHFFFAOYSA-N 1 1 273.380 2.541 40 0 CFABMO CC[C@@H](C)[N@H+]1CC[C@]2(C1)CCCN(c1ccc(C)nn1)C2 ZINC000247924459 383200272 /nfs/dbraw/zinc/20/02/72/383200272.db2.gz OUSXKZPZYZMLOP-WBVHZDCISA-N 1 1 288.439 2.876 40 0 CFABMO C[N@@H+](Cc1cccnc1)[C@H]1CCCN(c2ccccn2)C1 ZINC000257200583 383492908 /nfs/dbraw/zinc/49/29/08/383492908.db2.gz ADXNZWQAFNHYNW-INIZCTEOSA-N 1 1 282.391 2.577 40 0 CFABMO Cc1ccc(C[N@@H+]2CC[C@]3(C2)c2ccccc2N(C)C3=O)o1 ZINC000096244804 256830871 /nfs/dbraw/zinc/83/08/71/256830871.db2.gz PRIJEEJFLAIHRS-SFHVURJKSA-N 1 1 296.370 2.708 40 0 CFABMO CC(C)[N@H+]1CC[C@]2(c3ccccc3)CCN(C)[C@@H]2C1 ZINC000096251810 256834851 /nfs/dbraw/zinc/83/48/51/256834851.db2.gz QAUBHKPALPHLRH-SJORKVTESA-N 1 1 258.409 2.743 40 0 CFABMO CC(C)N1CC[C@]2(c3ccccc3)CC[N@H+](C)[C@@H]2C1 ZINC000096251810 256834852 /nfs/dbraw/zinc/83/48/52/256834852.db2.gz QAUBHKPALPHLRH-SJORKVTESA-N 1 1 258.409 2.743 40 0 CFABMO CC(C)N1CC[C@]2(c3ccccc3)CC[N@@H+](C)[C@@H]2C1 ZINC000096251810 256834853 /nfs/dbraw/zinc/83/48/53/256834853.db2.gz QAUBHKPALPHLRH-SJORKVTESA-N 1 1 258.409 2.743 40 0 CFABMO C[C@@H]([NH3+])c1nc(C2=Cc3cc(Cl)ccc3OC2)no1 ZINC000062716604 393627207 /nfs/dbraw/zinc/62/72/07/393627207.db2.gz YFRBPISRTLWTLA-SSDOTTSWSA-N 1 1 277.711 2.676 40 0 CFABMO CC(C)[C@@H]([NH3+])c1nc(C2=Cc3ccccc3OC2)no1 ZINC000062716586 393627779 /nfs/dbraw/zinc/62/77/79/393627779.db2.gz PHWHFNXOGZAYSY-CYBMUJFWSA-N 1 1 271.320 2.658 40 0 CFABMO CC(C)C[N@H+]1CCC[C@H]1c1cccnc1N1CCOCC1 ZINC000072216226 393645517 /nfs/dbraw/zinc/64/55/17/393645517.db2.gz LUVBYXBQKCXKQL-INIZCTEOSA-N 1 1 289.423 2.711 40 0 CFABMO CCN(C)c1cc(C)c(CNC(=O)OC(C)(C)C)c[nH+]1 ZINC000072223231 393646081 /nfs/dbraw/zinc/64/60/81/393646081.db2.gz MCHAOQOKGNEINO-UHFFFAOYSA-N 1 1 279.384 2.871 40 0 CFABMO Cc1cc([C@H]2CCC[N@@H+]2C(C)C)cnc1N1CCOCC1 ZINC000072219340 393646645 /nfs/dbraw/zinc/64/66/45/393646645.db2.gz MUKUFVKENFKNDN-MRXNPFEDSA-N 1 1 289.423 2.772 40 0 CFABMO CC(C)C[N@H+]1CC[C@@]2(C1)Cc1ccccc1NC2=O ZINC000096062830 393816330 /nfs/dbraw/zinc/81/63/30/393816330.db2.gz QAUPEWYQXCTZMC-INIZCTEOSA-N 1 1 258.365 2.529 40 0 CFABMO CCC(=O)N1N=C2[C@H]([C@H]1c1ccco1)[C@@H](C)[N@@H+](C)C[C@@H]2C ZINC000101236063 393847849 /nfs/dbraw/zinc/84/78/49/393847849.db2.gz URLGZASRDBGECB-KYXHQGGESA-N 1 1 289.379 2.515 40 0 CFABMO Fc1ccc(/C=C/C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)cc1 ZINC000252486443 393935383 /nfs/dbraw/zinc/93/53/83/393935383.db2.gz KBESVMDDYUPCFL-GPOOKRAHSA-N 1 1 291.366 2.719 40 0 CFABMO Fc1ccc(/C=C/C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)cc1 ZINC000252486443 393935388 /nfs/dbraw/zinc/93/53/88/393935388.db2.gz KBESVMDDYUPCFL-GPOOKRAHSA-N 1 1 291.366 2.719 40 0 CFABMO COc1ccc(C(=O)O[C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000004785705 170017234 /nfs/dbraw/zinc/01/72/34/170017234.db2.gz DXLIAGZRNHJCQN-XUJVJEKNSA-N 1 1 277.364 2.581 40 0 CFABMO C[C@@H]1C[C@@H](C)CC[C@H]1COC(=O)C[NH+]1CCCC1 ZINC000004898717 170037821 /nfs/dbraw/zinc/03/78/21/170037821.db2.gz TUWFNZHZUSMXEP-MJBXVCDLSA-N 1 1 253.386 2.698 40 0 CFABMO C[N@@H+]1[C@@H](c2ccccc2)CC(=O)NC[C@@H]1c1ccccc1 ZINC000004963748 170045851 /nfs/dbraw/zinc/04/58/51/170045851.db2.gz BBZYRNUKBWYENE-IAGOWNOFSA-N 1 1 280.371 2.921 40 0 CFABMO [NH3+]CC1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000019843465 170891849 /nfs/dbraw/zinc/89/18/49/170891849.db2.gz HBOXVFZKJFFCKZ-UHFFFAOYSA-N 1 1 256.752 2.650 40 0 CFABMO O=C(OCc1ccccc1)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000022115355 171353071 /nfs/dbraw/zinc/35/30/71/171353071.db2.gz CHFMXJIJBQZQHL-KRWDZBQOSA-N 1 1 296.370 2.970 40 0 CFABMO CC(C)CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038832377 174157221 /nfs/dbraw/zinc/15/72/21/174157221.db2.gz SHEBZWYOKDSFAP-MRXNPFEDSA-N 1 1 274.408 2.671 40 0 CFABMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cccc2cccnc21 ZINC000072324468 176369513 /nfs/dbraw/zinc/36/95/13/176369513.db2.gz VBLAPMAKWRBCTI-WMLDXEAASA-N 1 1 281.403 2.903 40 0 CFABMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(Br)o1 ZINC000072324567 176369748 /nfs/dbraw/zinc/36/97/48/176369748.db2.gz KJAVUNFFXFBSSK-WDEREUQCSA-N 1 1 299.212 2.711 40 0 CFABMO c1cn(-c2cccc([C@H]3CCC[N@H+]3C3CCOCC3)n2)cn1 ZINC000072355623 176375105 /nfs/dbraw/zinc/37/51/05/176375105.db2.gz LCQSYFDOJUZUNW-MRXNPFEDSA-N 1 1 298.390 2.583 40 0 CFABMO COc1cccc(-c2cnc([C@H]3CCC[N@@H+](C)C3)cn2)c1 ZINC000072360686 176376830 /nfs/dbraw/zinc/37/68/30/176376830.db2.gz VTXOTHKUBAMTHS-AWEZNQCLSA-N 1 1 283.375 2.961 40 0 CFABMO c1cn(-c2nccnc2[C@@H]2CCC[N@@H+]2C2CCCC2)cn1 ZINC000072359231 176376994 /nfs/dbraw/zinc/37/69/94/176376994.db2.gz BMFBPSFUFNLRNI-AWEZNQCLSA-N 1 1 283.379 2.742 40 0 CFABMO CCc1nccn1-c1cccc([C@H]2CCC[N@H+]2C)n1 ZINC000072379096 176386142 /nfs/dbraw/zinc/38/61/42/176386142.db2.gz JEPHHNIZGYLMIY-CYBMUJFWSA-N 1 1 256.353 2.596 40 0 CFABMO Fc1ccccc1C[N@H+]1CCC[C@H](c2cnccn2)C1 ZINC000072384962 176388953 /nfs/dbraw/zinc/38/89/53/176388953.db2.gz GISZCPCZLGOGTB-AWEZNQCLSA-N 1 1 271.339 2.995 40 0 CFABMO Fc1ccc(CC[N@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000072385454 176390068 /nfs/dbraw/zinc/39/00/68/176390068.db2.gz KGZGXXNKNFUGIS-AWEZNQCLSA-N 1 1 273.355 2.971 40 0 CFABMO Fc1ccc(CC[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1 ZINC000072385454 176390070 /nfs/dbraw/zinc/39/00/70/176390070.db2.gz KGZGXXNKNFUGIS-AWEZNQCLSA-N 1 1 273.355 2.971 40 0 CFABMO Fc1ccc(CC[N@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1 ZINC000072385454 176390072 /nfs/dbraw/zinc/39/00/72/176390072.db2.gz KGZGXXNKNFUGIS-AWEZNQCLSA-N 1 1 273.355 2.971 40 0 CFABMO Cc1c[nH]nc1[C@@H]1CCC[N@@H+]1Cc1cccc(C)n1 ZINC000072385800 176390497 /nfs/dbraw/zinc/39/04/97/176390497.db2.gz LTQJMZFEEYNFNT-AWEZNQCLSA-N 1 1 256.353 2.759 40 0 CFABMO Cc1c[nH]nc1[C@@H]1CCC[N@H+]1Cc1cccc(C)n1 ZINC000072385800 176390498 /nfs/dbraw/zinc/39/04/98/176390498.db2.gz LTQJMZFEEYNFNT-AWEZNQCLSA-N 1 1 256.353 2.759 40 0 CFABMO CCn1cc([C@H]2C[N@H+](C)C[C@@H]2N(C)C)c2ccccc21 ZINC000072395513 176394281 /nfs/dbraw/zinc/39/42/81/176394281.db2.gz WQZSVAPIFIGPGX-WBVHZDCISA-N 1 1 271.408 2.620 40 0 CFABMO CCn1cc([C@H]2C[N@@H+](C)C[C@@H]2N(C)C)c2ccccc21 ZINC000072395513 176394282 /nfs/dbraw/zinc/39/42/82/176394282.db2.gz WQZSVAPIFIGPGX-WBVHZDCISA-N 1 1 271.408 2.620 40 0 CFABMO c1csc([C@@H]2CCC[N@H+](Cc3cncs3)C2)n1 ZINC000092788541 327195311 /nfs/dbraw/zinc/19/53/11/327195311.db2.gz YOBQKQMPCTZYKX-SNVBAGLBSA-N 1 1 265.407 2.979 40 0 CFABMO Cc1nn(C)c(C)c1C[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000157024711 534818198 /nfs/dbraw/zinc/81/81/98/534818198.db2.gz HMVNNHOSNVXVEI-CYBMUJFWSA-N 1 1 290.436 2.873 40 0 CFABMO COc1ccc([C@H]([NH3+])c2nnc(-c3cccc(C)c3)[nH]2)cc1 ZINC000095533745 185007506 /nfs/dbraw/zinc/00/75/06/185007506.db2.gz KKCVWAOMNFGHJB-HNNXBMFYSA-N 1 1 294.358 2.837 40 0 CFABMO CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccoc1)CC2 ZINC000096047490 185073441 /nfs/dbraw/zinc/07/34/41/185073441.db2.gz NLDOHLTXXWQTLG-MRXNPFEDSA-N 1 1 276.380 2.647 40 0 CFABMO Cc1ccc(C[N@@H+]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)o1 ZINC000096053729 185073932 /nfs/dbraw/zinc/07/39/32/185073932.db2.gz ZIDDQGPVLYOTBE-CALCHBBNSA-N 1 1 297.402 2.547 40 0 CFABMO Cc1ccc(CN2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)o1 ZINC000096053729 185073933 /nfs/dbraw/zinc/07/39/33/185073933.db2.gz ZIDDQGPVLYOTBE-CALCHBBNSA-N 1 1 297.402 2.547 40 0 CFABMO Cc1ccc(CN2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)o1 ZINC000096053729 185073935 /nfs/dbraw/zinc/07/39/35/185073935.db2.gz ZIDDQGPVLYOTBE-CALCHBBNSA-N 1 1 297.402 2.547 40 0 CFABMO Cc1ccc(N2C[C@]3(CC[N@@H+](CC4CC4)C3)CC2=O)s1 ZINC000096050885 185074170 /nfs/dbraw/zinc/07/41/70/185074170.db2.gz LQVHDNGBTBMCLE-MRXNPFEDSA-N 1 1 290.432 2.895 40 0 CFABMO C(O[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2CC1CC1)C1CCCC1 ZINC000096057915 185078708 /nfs/dbraw/zinc/07/87/08/185078708.db2.gz JAPAXFCUHCSWMC-GVDBMIGSSA-N 1 1 279.424 2.835 40 0 CFABMO COC[C@@H]1Cn2ccnc2C[N@H+](Cc2ccc(C)s2)C1 ZINC000096059072 185079268 /nfs/dbraw/zinc/07/92/68/185079268.db2.gz HWUWFASUXQKCAO-ZDUSSCGKSA-N 1 1 291.420 2.531 40 0 CFABMO COC[C@@H]1Cn2ccnc2C[N@@H+](Cc2ccc(C)s2)C1 ZINC000096059072 185079270 /nfs/dbraw/zinc/07/92/70/185079270.db2.gz HWUWFASUXQKCAO-ZDUSSCGKSA-N 1 1 291.420 2.531 40 0 CFABMO CC[C@H]1[N@@H+](Cc2ccco2)CCC[C@]12CCC(=O)N2C ZINC000096070421 185085807 /nfs/dbraw/zinc/08/58/07/185085807.db2.gz RLYZBHIIMHWLCC-ZBFHGGJFSA-N 1 1 276.380 2.645 40 0 CFABMO CC(C)[C@H]1CO[C@]2(CC[N@@H+](Cc3cccnc3)C2)C1 ZINC000096072026 185086459 /nfs/dbraw/zinc/08/64/59/185086459.db2.gz OKIOQHKJNOSDFC-HZPDHXFCSA-N 1 1 260.381 2.719 40 0 CFABMO COc1ccccc1C[N@H+]1CC[C@H]2C[C@@H](C)O[C@@H]2C1 ZINC000096070669 185086866 /nfs/dbraw/zinc/08/68/66/185086866.db2.gz DAYCWKGJHMMZIE-DVOMOZLQSA-N 1 1 261.365 2.695 40 0 CFABMO Cn1cc(C[N@H+]2CC[C@]3(C[C@H](c4ccccc4)CO3)C2)cn1 ZINC000096072150 185088363 /nfs/dbraw/zinc/08/83/63/185088363.db2.gz NISGUEIHBYIOBH-ROUUACIJSA-N 1 1 297.402 2.569 40 0 CFABMO COC[C@@]12CCC[C@@H]1C[N@@H+](Cc1cccc(C)n1)C2 ZINC000096111025 185101137 /nfs/dbraw/zinc/10/11/37/185101137.db2.gz LANDLZBAMODAAO-ZBFHGGJFSA-N 1 1 260.381 2.639 40 0 CFABMO CCC(CC)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000067800916 282185555 /nfs/dbraw/zinc/18/55/55/282185555.db2.gz NPMARACPIAWBSP-NSHDSACASA-N 1 1 256.390 2.774 40 0 CFABMO O[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000127982404 187345114 /nfs/dbraw/zinc/34/51/14/187345114.db2.gz XMQLRIMVAWYYJM-LBPRGKRZSA-N 1 1 260.164 2.950 40 0 CFABMO O[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000127982404 187345115 /nfs/dbraw/zinc/34/51/15/187345115.db2.gz XMQLRIMVAWYYJM-LBPRGKRZSA-N 1 1 260.164 2.950 40 0 CFABMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)N2N=CC[C@H]2c2ccccc2)C1 ZINC000008559891 346224859 /nfs/dbraw/zinc/22/48/59/346224859.db2.gz ZUUATDISHOXEKE-UXLLHSPISA-N 1 1 299.418 2.924 40 0 CFABMO c1csc([C@@H](C2CCSCC2)[NH+]2CCNCC2)c1 ZINC000409439425 348602194 /nfs/dbraw/zinc/60/21/94/348602194.db2.gz HGXBKOLPSSEEHP-CQSZACIVSA-N 1 1 282.478 2.838 40 0 CFABMO c1cnc(N2CC[C@H]3[C@@H](C[N@@H+]3CC3CCCCC3)C2)nc1 ZINC000585107989 348734767 /nfs/dbraw/zinc/73/47/67/348734767.db2.gz QKXAMHGROVEQJB-CVEARBPZSA-N 1 1 286.423 2.567 40 0 CFABMO C[N@H+]1CCCC[C@H](CNC(=O)NC[C@H]2CCC[C@H](F)C2)C1 ZINC000685939059 539988619 /nfs/dbraw/zinc/98/86/19/539988619.db2.gz BXMBZPLOZWNGCA-ZNMIVQPWSA-N 1 1 299.434 2.546 40 0 CFABMO [NH3+]CC(=O)c1ccc(Br)cc1C(F)(F)F ZINC000098211551 283420998 /nfs/dbraw/zinc/42/09/98/283420998.db2.gz XBBDSHHTCOLVOP-UHFFFAOYSA-N 1 1 282.059 2.609 40 0 CFABMO N[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1OC1CCCC1 ZINC000242688558 541006218 /nfs/dbraw/zinc/00/62/18/541006218.db2.gz VSMZIVJWKZRLRD-FXUDXRNXSA-N 1 1 266.429 2.726 40 0 CFABMO N[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1OC1CCCC1 ZINC000242688559 541006320 /nfs/dbraw/zinc/00/63/20/541006320.db2.gz VSMZIVJWKZRLRD-QKPAOTATSA-N 1 1 266.429 2.726 40 0 CFABMO C[C@H](O)CC[NH2+][C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000001667627 371693204 /nfs/dbraw/zinc/69/32/04/371693204.db2.gz LVKBQFXXIDMFTP-YOEHRIQHSA-N 1 1 283.371 2.971 40 0 CFABMO Cc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000004248001 371843494 /nfs/dbraw/zinc/84/34/94/371843494.db2.gz SMBKZOQPNGCSEO-IJEWVQPXSA-N 1 1 277.408 2.713 40 0 CFABMO COC(=O)[C@H]1C[N@@H+](C)CC[C@@H]1c1ccc(Cl)cc1 ZINC000004423541 371855131 /nfs/dbraw/zinc/85/51/31/371855131.db2.gz GDFVYUDIAQQDTA-OLZOCXBDSA-N 1 1 267.756 2.548 40 0 CFABMO Cc1cc(C[N@H+]2CCC[C@H](O)C2)c(C)n1Cc1ccco1 ZINC000013568251 372033519 /nfs/dbraw/zinc/03/35/19/372033519.db2.gz KYZYJUOMRVDTEY-INIZCTEOSA-N 1 1 288.391 2.703 40 0 CFABMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(F)cc1F ZINC000019575116 372175681 /nfs/dbraw/zinc/17/56/81/372175681.db2.gz GJTSGSCKRTWULI-BXUZGUMPSA-N 1 1 266.335 2.633 40 0 CFABMO Cc1ccc(-n2cc(C[N@H+](C)CC3(C)COC3)cn2)cc1 ZINC000019656156 372177672 /nfs/dbraw/zinc/17/76/72/372177672.db2.gz ODZHQFCEJRAQOI-UHFFFAOYSA-N 1 1 285.391 2.649 40 0 CFABMO CCN(CC)CC[NH2+]Cc1cc(Cl)cc2c1OCOC2 ZINC000022860929 372246754 /nfs/dbraw/zinc/24/67/54/372246754.db2.gz LJSIAAAKUWQIAC-UHFFFAOYSA-N 1 1 298.814 2.638 40 0 CFABMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H](O)COc1ccccc1F ZINC000026781719 372329869 /nfs/dbraw/zinc/32/98/69/372329869.db2.gz SYZNNDXAQKBPAB-HZSPNIEDSA-N 1 1 281.371 2.828 40 0 CFABMO c1ccc(COC[C@@H]2C[N@H+](Cc3ccccc3)CCN2)cc1 ZINC000026898246 372331539 /nfs/dbraw/zinc/33/15/39/372331539.db2.gz RDGPQHCJHZWORQ-IBGZPJMESA-N 1 1 296.414 2.677 40 0 CFABMO c1ccc(COC[C@@H]2C[N@@H+](Cc3ccccc3)CCN2)cc1 ZINC000026898246 372331545 /nfs/dbraw/zinc/33/15/45/372331545.db2.gz RDGPQHCJHZWORQ-IBGZPJMESA-N 1 1 296.414 2.677 40 0 CFABMO Cc1ccc(N2CCC(NC(=O)OC(C)(C)C)CC2)[nH+]c1 ZINC000040434886 372782821 /nfs/dbraw/zinc/78/28/21/372782821.db2.gz BARLQQBTKYICKN-UHFFFAOYSA-N 1 1 291.395 2.884 40 0 CFABMO c1coc(-c2nnc([C@H]3CC[N@H+](Cc4ccccn4)C3)o2)c1 ZINC000049169513 373272946 /nfs/dbraw/zinc/27/29/46/373272946.db2.gz CAQNGJGLWPSVRF-LBPRGKRZSA-N 1 1 296.330 2.714 40 0 biogenic,in-vitro CFABMO c1ccc(Cc2nnc([C@H]3CC[N@H+](CC4CC4)C3)o2)cc1 ZINC000049169873 373273224 /nfs/dbraw/zinc/27/32/24/373273224.db2.gz UPSAIHULQYTTKG-HNNXBMFYSA-N 1 1 283.375 2.860 40 0 biogenic,in-vitro CFABMO Cc1nc(Nc2ccc(Br)cc2)cc(N)[nH+]1 ZINC000049467277 373300217 /nfs/dbraw/zinc/30/02/17/373300217.db2.gz BTERHMKBURLVNJ-UHFFFAOYSA-N 1 1 279.141 2.873 40 0 CFABMO Cc1nc(N)cc(Nc2ccc(Br)cc2)[nH+]1 ZINC000049467277 373300227 /nfs/dbraw/zinc/30/02/27/373300227.db2.gz BTERHMKBURLVNJ-UHFFFAOYSA-N 1 1 279.141 2.873 40 0 CFABMO c1csc([C@H]2C[N@@H+](Cc3ccccc3)CCN2)c1 ZINC000056894914 373573413 /nfs/dbraw/zinc/57/34/13/373573413.db2.gz BBZZPAYGUJCNOB-CQSZACIVSA-N 1 1 258.390 2.895 40 0 CFABMO c1csc([C@H]2CN(Cc3ccccc3)CC[NH2+]2)c1 ZINC000056894914 373573418 /nfs/dbraw/zinc/57/34/18/373573418.db2.gz BBZZPAYGUJCNOB-CQSZACIVSA-N 1 1 258.390 2.895 40 0 CFABMO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000067800924 374004788 /nfs/dbraw/zinc/00/47/88/374004788.db2.gz MHMMRXINDHKRMU-ZDUSSCGKSA-N 1 1 268.401 2.776 40 0 CFABMO C[N@H+]1CCC[C@H](C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000082325076 374735288 /nfs/dbraw/zinc/73/52/88/374735288.db2.gz GNZZSTFNVYIZFT-VIFPVBQESA-N 1 1 270.735 2.759 40 0 CFABMO C[N@H+]1CCC[C@@H](C(=O)Nc2cccc(Br)c2)C1 ZINC000082335900 374737002 /nfs/dbraw/zinc/73/70/02/374737002.db2.gz MNCFZROGDXXULJ-SNVBAGLBSA-N 1 1 297.196 2.729 40 0 CFABMO CC[C@H]1[N@@H+](Cc2cc(C)c(C)o2)CCC[C@]12CCC(=O)N2 ZINC000096100125 375469111 /nfs/dbraw/zinc/46/91/11/375469111.db2.gz XQVWPCRXPTWVKJ-WBVHZDCISA-N 1 1 290.407 2.920 40 0 CFABMO NC[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCCC1 ZINC000095098742 375416074 /nfs/dbraw/zinc/41/60/74/375416074.db2.gz JTYBDNYRPPLXEW-GFCCVEGCSA-N 1 1 274.286 2.681 40 0 CFABMO CCc1ccc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)o1 ZINC000096215224 375476662 /nfs/dbraw/zinc/47/66/62/375476662.db2.gz ZSIMGBPZTZLYCN-MRXNPFEDSA-N 1 1 262.397 2.760 40 0 CFABMO c1cc(C[N@@H+]2CCC3(CN(Cc4cccnc4)C3)C2)cs1 ZINC000096202752 375477626 /nfs/dbraw/zinc/47/76/26/375477626.db2.gz OWHUGOYYNALGAC-UHFFFAOYSA-N 1 1 299.443 2.851 40 0 CFABMO CCc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C(C)C)cc1 ZINC000096248689 375482267 /nfs/dbraw/zinc/48/22/67/375482267.db2.gz ZTBZVFGMLWTZDN-MSOLQXFVSA-N 1 1 288.435 2.542 40 0 CFABMO Cc1ncnc2c1CC[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000096254953 375482469 /nfs/dbraw/zinc/48/24/69/375482469.db2.gz QPTRDOXGTITNAD-UHFFFAOYSA-N 1 1 271.339 2.525 40 0 CFABMO CC[C@H](C)n1nccc1C[NH2+]Cc1ccnn1C(C)C ZINC000256054271 190005437 /nfs/dbraw/zinc/00/54/37/190005437.db2.gz VQZFAOBFSNGNNP-ZDUSSCGKSA-N 1 1 275.400 2.921 40 0 CFABMO Fc1ccc(F)c(C[NH2+]Cc2ccnn2C(F)F)c1 ZINC000256051197 190003830 /nfs/dbraw/zinc/00/38/30/190003830.db2.gz ICIDZSCYSLQQPA-UHFFFAOYSA-N 1 1 273.233 2.846 40 0 CFABMO CNC(=O)c1cccc([C@H]2CCC[N@H+]2C2CCCC2)n1 ZINC000257212392 190012741 /nfs/dbraw/zinc/01/27/41/190012741.db2.gz CDFVFNLVRKRRDT-OAHLLOKOSA-N 1 1 273.380 2.521 40 0 CFABMO CNc1cc([C@@H]2CCC[N@H+]2Cc2ccccn2)ccn1 ZINC000257215176 190012961 /nfs/dbraw/zinc/01/29/61/190012961.db2.gz CPBLCXSBICEMKK-HNNXBMFYSA-N 1 1 268.364 2.855 40 0 CFABMO C[N@H+]1CCN(Cc2cccnc2)C[C@H]1c1ccccc1 ZINC000257213851 190013158 /nfs/dbraw/zinc/01/31/58/190013158.db2.gz CJIHGDYHLSQVLV-KRWDZBQOSA-N 1 1 267.376 2.570 40 0 CFABMO CN1CC[N@H+](Cc2cccnc2)C[C@H]1c1ccccc1 ZINC000257213851 190013159 /nfs/dbraw/zinc/01/31/59/190013159.db2.gz CJIHGDYHLSQVLV-KRWDZBQOSA-N 1 1 267.376 2.570 40 0 CFABMO CN1CC[N@@H+](Cc2cccnc2)C[C@H]1c1ccccc1 ZINC000257213851 190013160 /nfs/dbraw/zinc/01/31/60/190013160.db2.gz CJIHGDYHLSQVLV-KRWDZBQOSA-N 1 1 267.376 2.570 40 0 CFABMO Cc1nn(C)c(C)c1C[N@H+]1CCC[C@H](Cc2ccccn2)C1 ZINC000257214969 190013496 /nfs/dbraw/zinc/01/34/96/190013496.db2.gz CODABFCXFYWNDM-MRXNPFEDSA-N 1 1 298.434 2.887 40 0 CFABMO c1ncc(C[N@H+]2CCC[C@H](c3ccc4c[nH]nc4n3)C2)s1 ZINC000257225988 190015698 /nfs/dbraw/zinc/01/56/98/190015698.db2.gz FIRPCAKKYLDENM-LBPRGKRZSA-N 1 1 299.403 2.794 40 0 CFABMO Cc1cn(C)c([C@@H]2CC[N@@H+](Cc3cccs3)C2)n1 ZINC000257233692 190016868 /nfs/dbraw/zinc/01/68/68/190016868.db2.gz GQGHAQXDHAWGTR-GFCCVEGCSA-N 1 1 261.394 2.780 40 0 CFABMO Cc1nc(-c2ccnn2C)cc([C@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000257236252 190018177 /nfs/dbraw/zinc/01/81/77/190018177.db2.gz HBIYHYDCUQNBEA-AWEZNQCLSA-N 1 1 299.422 2.773 40 0 CFABMO O=C1CCC[C@]2(C[N@@H+](CC3CC3)C[C@H]2c2ccccc2)N1 ZINC000257240821 190018400 /nfs/dbraw/zinc/01/84/00/190018400.db2.gz HVIFBENOAFOFJJ-FUHWJXTLSA-N 1 1 284.403 2.535 40 0 CFABMO c1csc(C[N@H+]2CCC[C@H](Cc3ccccn3)C2)n1 ZINC000257280963 190025180 /nfs/dbraw/zinc/02/51/80/190025180.db2.gz ONCCESOSQHRSFY-CYBMUJFWSA-N 1 1 273.405 2.993 40 0 CFABMO c1csc(C[N@@H+]2CCC[C@H](Cc3ccccn3)C2)n1 ZINC000257280963 190025181 /nfs/dbraw/zinc/02/51/81/190025181.db2.gz ONCCESOSQHRSFY-CYBMUJFWSA-N 1 1 273.405 2.993 40 0 CFABMO Cc1ccc(C[C@H]2CCC[N@H+](C3CCN(C)CC3)C2)cn1 ZINC000257280682 190025644 /nfs/dbraw/zinc/02/56/44/190025644.db2.gz OLWWDSCGWSZKIK-QGZVFWFLSA-N 1 1 287.451 2.739 40 0 CFABMO CNc1cc([C@@H]2CCC[N@@H+](CC3CCOCC3)C2)ccn1 ZINC000257295959 190028465 /nfs/dbraw/zinc/02/84/65/190028465.db2.gz RAPQSHROPBAMHV-MRXNPFEDSA-N 1 1 289.423 2.729 40 0 CFABMO CC(C)n1nccc1C[N@H+]1CCC[C@H](c2cnccn2)C1 ZINC000257293262 190028543 /nfs/dbraw/zinc/02/85/43/190028543.db2.gz QOTGAVSTUFHBLN-AWEZNQCLSA-N 1 1 285.395 2.634 40 0 CFABMO Cc1cnc([C@H]2CCC[N@@H+](Cc3cnccn3)C2)s1 ZINC000257300748 190028902 /nfs/dbraw/zinc/02/89/02/190028902.db2.gz RVNRJUKPVAENEM-LBPRGKRZSA-N 1 1 274.393 2.621 40 0 CFABMO CC(C)[N@H+]1CCC[C@H](c2cncc(Nc3cnccn3)n2)C1 ZINC000257302201 190030493 /nfs/dbraw/zinc/03/04/93/190030493.db2.gz SBXMNEMPMNYHFA-ZDUSSCGKSA-N 1 1 298.394 2.598 40 0 CFABMO c1nc(C[N@H+]2CCC[C@@H](Cc3cccnc3)C2)cs1 ZINC000257312439 190032143 /nfs/dbraw/zinc/03/21/43/190032143.db2.gz UNYKOFIPZHGVLX-AWEZNQCLSA-N 1 1 273.405 2.993 40 0 CFABMO c1nc(C[N@@H+]2CCC[C@@H](Cc3cccnc3)C2)cs1 ZINC000257312439 190032144 /nfs/dbraw/zinc/03/21/44/190032144.db2.gz UNYKOFIPZHGVLX-AWEZNQCLSA-N 1 1 273.405 2.993 40 0 CFABMO Cc1c[nH]nc1C[C@H]1CCC[N@@H+](Cc2csc(C)n2)C1 ZINC000257317815 190032406 /nfs/dbraw/zinc/03/24/06/190032406.db2.gz VLGOEXMJQLUWPH-CYBMUJFWSA-N 1 1 290.436 2.938 40 0 CFABMO Cc1c[nH]nc1C[C@H]1CCC[N@H+](Cc2csc(C)n2)C1 ZINC000257317815 190032407 /nfs/dbraw/zinc/03/24/07/190032407.db2.gz VLGOEXMJQLUWPH-CYBMUJFWSA-N 1 1 290.436 2.938 40 0 CFABMO c1cc(C[N@H+]2CCC[C@@H](c3ccncn3)C2)cs1 ZINC000257322040 190033389 /nfs/dbraw/zinc/03/33/89/190033389.db2.gz WEIVEACUPAFQOX-CYBMUJFWSA-N 1 1 259.378 2.918 40 0 CFABMO Cn1cccc1C[N@H+]1CCC[C@@H](Cc2cccnc2)C1 ZINC000257320702 190033612 /nfs/dbraw/zinc/03/36/12/190033612.db2.gz VYDOTLWVUBHNSW-INIZCTEOSA-N 1 1 269.392 2.875 40 0 CFABMO Nc1cc(CC[C@H]2C[N@H+](C3CCCCC3)CCO2)ccn1 ZINC000257329840 190034739 /nfs/dbraw/zinc/03/47/39/190034739.db2.gz XLTHCFFBDKKGCX-INIZCTEOSA-N 1 1 289.423 2.630 40 0 CFABMO Cc1cccc(C[C@@H]2CCC[N@@H+](Cc3nccn3C)C2)n1 ZINC000257342126 190037254 /nfs/dbraw/zinc/03/72/54/190037254.db2.gz ZNEISVQNXHFGAQ-HNNXBMFYSA-N 1 1 284.407 2.578 40 0 CFABMO Cc1cccc(C[C@@H]2CCC[N@H+](Cc3nccn3C)C2)n1 ZINC000257342126 190037255 /nfs/dbraw/zinc/03/72/55/190037255.db2.gz ZNEISVQNXHFGAQ-HNNXBMFYSA-N 1 1 284.407 2.578 40 0 CFABMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](OC(=O)c1ccc(F)cc1)C2 ZINC000257355226 190037703 /nfs/dbraw/zinc/03/77/03/190037703.db2.gz YXDFSLSXLYAAPF-BTTYYORXSA-N 1 1 263.312 2.608 40 0 in-vitro CFABMO CCCNC(=O)c1cc(N)ccc1[NH+]1CCCCCC1 ZINC000225486140 382817159 /nfs/dbraw/zinc/81/71/59/382817159.db2.gz DFWWKUDCSHYQIJ-UHFFFAOYSA-N 1 1 275.396 2.789 40 0 CFABMO Cc1ccc(C[N@H+]2CCC[C@@H](CO)C2)c(Cl)c1 ZINC000235876091 382889346 /nfs/dbraw/zinc/88/93/46/382889346.db2.gz AQMSKZWZMXBKNM-GFCCVEGCSA-N 1 1 253.773 2.853 40 0 CFABMO COC[C@@H]1CCOC12C[NH+](Cc1cc(C)ccc1C)C2 ZINC000247918653 383200099 /nfs/dbraw/zinc/20/00/99/383200099.db2.gz ZWJMDCKTBGYMIB-INIZCTEOSA-N 1 1 275.392 2.541 40 0 CFABMO CN(Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH2+]C[C@H]21 ZINC000248070880 383210600 /nfs/dbraw/zinc/21/06/00/383210600.db2.gz ATWHPKCVHSVPNU-MRVWCRGKSA-N 1 1 250.411 2.568 40 0 CFABMO c1cc2n(c1)C[C@@H](Oc1cccnc1)C[N@H+](C1CCC1)C2 ZINC000253588411 383464267 /nfs/dbraw/zinc/46/42/67/383464267.db2.gz BPDKPEIESABJMJ-QGZVFWFLSA-N 1 1 283.375 2.699 40 0 CFABMO c1cc2n(c1)C[C@H](Oc1cccnc1)C[N@H+](C1CCC1)C2 ZINC000253588410 383464299 /nfs/dbraw/zinc/46/42/99/383464299.db2.gz BPDKPEIESABJMJ-KRWDZBQOSA-N 1 1 283.375 2.699 40 0 CFABMO CO[C@H]1C[N@H+](Cc2cccc(F)c2F)CC[C@@]12CCCO2 ZINC000257330544 383494771 /nfs/dbraw/zinc/49/47/71/383494771.db2.gz XOVFTFLTVPAKPX-HOCLYGCPSA-N 1 1 297.345 2.735 40 0 CFABMO CO[C@H]1C[N@@H+](Cc2cccc(F)c2F)CC[C@@]12CCCO2 ZINC000257330544 383494774 /nfs/dbraw/zinc/49/47/74/383494774.db2.gz XOVFTFLTVPAKPX-HOCLYGCPSA-N 1 1 297.345 2.735 40 0 CFABMO CCN(Cc1ncc[nH]1)[C@H]1C[N@@H+](C)C2(C1)CCCCC2 ZINC000257223939 285129595 /nfs/dbraw/zinc/12/95/95/285129595.db2.gz DZPHXRNKMAUJNP-CQSZACIVSA-N 1 1 276.428 2.639 40 0 CFABMO Cc1ccc(N2C(=O)[C@@H]([NH3+])[C@H]2c2ccccc2F)cc1C ZINC000072227870 256703233 /nfs/dbraw/zinc/70/32/33/256703233.db2.gz NQNJWJLXGQDUPA-JKSUJKDBSA-N 1 1 284.334 2.858 40 0 CFABMO c1ccn(C[C@@H]2CC[C@H]3[C@@H]2OCC[N@@H+]3Cc2ccoc2)c1 ZINC000096250204 256834651 /nfs/dbraw/zinc/83/46/51/256834651.db2.gz XPIAAHJTTOHITQ-YESZJQIVSA-N 1 1 286.375 2.761 40 0 CFABMO c1ccn(C[C@@H]2CC[C@H]3[C@@H]2OCC[N@H+]3Cc2ccoc2)c1 ZINC000096250204 256834652 /nfs/dbraw/zinc/83/46/52/256834652.db2.gz XPIAAHJTTOHITQ-YESZJQIVSA-N 1 1 286.375 2.761 40 0 CFABMO CC(=O)N1CCC[C@@H]1c1ccc(N2CCCC2)[nH+]c1C ZINC000072218914 393645990 /nfs/dbraw/zinc/64/59/90/393645990.db2.gz YHYPFNHHNWEFGH-OAHLLOKOSA-N 1 1 273.380 2.674 40 0 CFABMO CCN(C)c1cc(C)c([C@H](O)c2ccccc2)c[nH+]1 ZINC000072223238 393646300 /nfs/dbraw/zinc/64/63/00/393646300.db2.gz QTDDPHDNOADGEI-MRXNPFEDSA-N 1 1 256.349 2.928 40 0 CFABMO [NH3+][C@@H]1C(=O)N(c2ccccc2)[C@@H]1c1cccc(Cl)c1 ZINC000072227370 393647761 /nfs/dbraw/zinc/64/77/61/393647761.db2.gz FTNJFZMBYZEHHU-UONOGXRCSA-N 1 1 272.735 2.755 40 0 CFABMO CCc1ccc([C@@H]2[C@H]([NH3+])C(=O)N2c2ccc(C)cc2)cc1 ZINC000072227482 393648635 /nfs/dbraw/zinc/64/86/35/393648635.db2.gz TWLOXTAEEKKIFT-DLBZAZTESA-N 1 1 280.371 2.973 40 0 CFABMO CCc1ccc([C@H]2[C@H]([NH3+])C(=O)N2c2cccc(F)c2)cc1 ZINC000072227651 393648647 /nfs/dbraw/zinc/64/86/47/393648647.db2.gz DGVDVBRSIKTQSD-HOTGVXAUSA-N 1 1 284.334 2.803 40 0 CFABMO [NH3+][C@H]1C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000072227945 393648783 /nfs/dbraw/zinc/64/87/83/393648783.db2.gz QCIWLGXARLDIBR-KGLIPLIRSA-N 1 1 272.735 2.755 40 0 CFABMO CCc1ccc([C@@H]2[C@H]([NH3+])C(=O)N2c2cccc(OC)c2)cc1 ZINC000072227762 393649068 /nfs/dbraw/zinc/64/90/68/393649068.db2.gz ZWQWVPJORRWVLU-DLBZAZTESA-N 1 1 296.370 2.673 40 0 CFABMO Cc1ccc(N2C(=O)[C@@H]([NH3+])[C@H]2c2ccccc2)cc1C ZINC000072227830 393649179 /nfs/dbraw/zinc/64/91/79/393649179.db2.gz GKBMNHAAZZPIJJ-JKSUJKDBSA-N 1 1 266.344 2.719 40 0 CFABMO Cc1ccc([C@H]([NH3+])c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000095534176 393812770 /nfs/dbraw/zinc/81/27/70/393812770.db2.gz SNLJETCRJJYOJL-AWEZNQCLSA-N 1 1 264.332 2.828 40 0 CFABMO CC(C)Sc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000008049433 170316331 /nfs/dbraw/zinc/31/63/31/170316331.db2.gz LFFQAIOJCAPSKI-UHFFFAOYSA-N 1 1 278.421 2.575 40 0 CFABMO COc1ccc(Cn2c[nH+]c3cc(N)ccc32)cc1 ZINC000008699372 170346140 /nfs/dbraw/zinc/34/61/40/170346140.db2.gz DQWLYPTXVOGEPX-UHFFFAOYSA-N 1 1 253.305 2.675 40 0 CFABMO Cc1cccc(NC(=S)NC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000009876119 170388563 /nfs/dbraw/zinc/38/85/63/170388563.db2.gz BZJXWFILOYBWAF-ZDUSSCGKSA-N 1 1 277.437 2.623 40 0 CFABMO CNc1ccc(-c2noc([C@@H]3CCC[N@H+]3CC3CC3)n2)cn1 ZINC000035426205 172193772 /nfs/dbraw/zinc/19/37/72/172193772.db2.gz MDYALPIYDKRKBY-ZDUSSCGKSA-N 1 1 299.378 2.720 40 0 biogenic,in-vitro CFABMO O[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000038539853 174145540 /nfs/dbraw/zinc/14/55/40/174145540.db2.gz DMSNRIJBUKGIEE-LBPRGKRZSA-N 1 1 259.271 2.662 40 0 CFABMO O[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000072203668 176342062 /nfs/dbraw/zinc/34/20/62/176342062.db2.gz IBONJVDOEBECNJ-NSHDSACASA-N 1 1 260.164 2.950 40 0 CFABMO O[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000072203668 176342064 /nfs/dbraw/zinc/34/20/64/176342064.db2.gz IBONJVDOEBECNJ-NSHDSACASA-N 1 1 260.164 2.950 40 0 CFABMO CC(C)c1nccn1-c1nccnc1[C@H]1CCC[N@@H+](C)C1 ZINC000072350498 176373515 /nfs/dbraw/zinc/37/35/15/176373515.db2.gz UYSBSZOTKPWHKY-ZDUSSCGKSA-N 1 1 285.395 2.595 40 0 CFABMO CC[N@H+]1CCC[C@@H](c2cc(Nc3ncccn3)nc(C)n2)C1 ZINC000072363445 176378300 /nfs/dbraw/zinc/37/83/00/176378300.db2.gz GSTXBHWKDDDLLY-CYBMUJFWSA-N 1 1 298.394 2.518 40 0 CFABMO C[N@H+]1CCCC[C@H]1c1ccc(Nc2cnccn2)nc1 ZINC000072372054 176383927 /nfs/dbraw/zinc/38/39/27/176383927.db2.gz JDDGSYJRHQQLGU-ZDUSSCGKSA-N 1 1 269.352 2.772 40 0 CFABMO Cc1cccc(C[N@H+]2CC[C@@H](c3nc(C)cc(C)n3)C2)n1 ZINC000072369722 176384126 /nfs/dbraw/zinc/38/41/26/176384126.db2.gz QQROMQMKZRNMCF-OAHLLOKOSA-N 1 1 282.391 2.786 40 0 CFABMO C[N@H+]1CCCC[C@@H]1c1ccnc(Nc2ccccn2)n1 ZINC000072377368 176386230 /nfs/dbraw/zinc/38/62/30/176386230.db2.gz GVCPCVRZOUWHFB-CYBMUJFWSA-N 1 1 269.352 2.772 40 0 CFABMO Cc1nccc([C@@H]2CCCC[N@@H+]2Cc2ccccn2)n1 ZINC000072379989 176387338 /nfs/dbraw/zinc/38/73/38/176387338.db2.gz LMIPNPSVTUXCOG-INIZCTEOSA-N 1 1 268.364 2.907 40 0 CFABMO Cc1nccc([C@@H]2CCCC[N@H+]2Cc2ccccn2)n1 ZINC000072379989 176387339 /nfs/dbraw/zinc/38/73/39/176387339.db2.gz LMIPNPSVTUXCOG-INIZCTEOSA-N 1 1 268.364 2.907 40 0 CFABMO CN(C)c1nccc([C@H]2CCCC[N@@H+]2Cc2cccnc2)n1 ZINC000072385055 176389328 /nfs/dbraw/zinc/38/93/28/176389328.db2.gz CPLJHVSMXXRFAB-MRXNPFEDSA-N 1 1 297.406 2.665 40 0 CFABMO CN(C)c1nccc([C@H]2CCCC[N@H+]2Cc2cccnc2)n1 ZINC000072385055 176389329 /nfs/dbraw/zinc/38/93/29/176389329.db2.gz CPLJHVSMXXRFAB-MRXNPFEDSA-N 1 1 297.406 2.665 40 0 CFABMO Cn1c(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)nc2ccccc21 ZINC000072385295 176389892 /nfs/dbraw/zinc/38/98/92/176389892.db2.gz CTJYTWXDPMAYFV-ZDUSSCGKSA-N 1 1 295.390 2.676 40 0 CFABMO Cc1c(C[N@H+]2CCC[C@@H](Cc3nccs3)C2)cnn1C 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Cc1ccccc1OC[C@@H](C)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000096484325 230381016 /nfs/dbraw/zinc/38/10/16/230381016.db2.gz VUWRZGJYAXLRIP-IXDOHACOSA-N 1 1 288.435 2.979 40 0 CFABMO [NH3+][C@@H](c1nc(-c2ccccn2)n[nH]1)c1ccc(Cl)cc1 ZINC000095533964 185005974 /nfs/dbraw/zinc/00/59/74/185005974.db2.gz RPECCZFZEJZWCI-GFCCVEGCSA-N 1 1 285.738 2.568 40 0 CFABMO C(C1CCC1)[N@H+]1C[C@@H]2C[C@@H](c3nnc(C4CC4)o3)O[C@@H]2C1 ZINC000096045834 185071068 /nfs/dbraw/zinc/07/10/68/185071068.db2.gz NIPROSXRUTYAHP-MELADBBJSA-N 1 1 289.379 2.509 40 0 CFABMO CCOC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@@H+]2Cc1cccs1 ZINC000096082419 185091773 /nfs/dbraw/zinc/09/17/73/185091773.db2.gz CJLOFZFODUHGCZ-NWANDNLSSA-N 1 1 281.421 2.764 40 0 CFABMO CCOC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@H+]2Cc1cccs1 ZINC000096082419 185091774 /nfs/dbraw/zinc/09/17/74/185091774.db2.gz CJLOFZFODUHGCZ-NWANDNLSSA-N 1 1 281.421 2.764 40 0 CFABMO c1ccn(C[C@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2cccnc2)c1 ZINC000096082616 185092547 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VYMFUCFZRJIUFB-CQSZACIVSA-N 1 1 285.395 2.534 40 0 CFABMO CNc1cc(N2Cc3ccccc3C[C@H]2C)[nH+]c(C)n1 ZINC000328979980 378446401 /nfs/dbraw/zinc/44/64/01/378446401.db2.gz GJTQRFCTGUOYDH-LLVKDONJSA-N 1 1 268.364 2.778 40 0 CFABMO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCS1 ZINC000228962119 382849817 /nfs/dbraw/zinc/84/98/17/382849817.db2.gz KDAQBBPCSOWHFB-AWEZNQCLSA-N 1 1 293.432 2.946 40 0 CFABMO COC[C@@H]1C[N@H+](Cc2cccc3[nH]ccc32)Cc2ccnn21 ZINC000247846874 383197679 /nfs/dbraw/zinc/19/76/79/383197679.db2.gz NAUFRTYZOMXXDV-HNNXBMFYSA-N 1 1 296.374 2.568 40 0 CFABMO COC[C@@H]1C[N@@H+](Cc2cccc3[nH]ccc32)Cc2ccnn21 ZINC000247846874 383197682 /nfs/dbraw/zinc/19/76/82/383197682.db2.gz NAUFRTYZOMXXDV-HNNXBMFYSA-N 1 1 296.374 2.568 40 0 CFABMO CN(Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC000248070879 383211037 /nfs/dbraw/zinc/21/10/37/383211037.db2.gz ATWHPKCVHSVPNU-KWCYVHTRSA-N 1 1 250.411 2.568 40 0 CFABMO Cc1cccc(N2CCC[C@@H]([N@@H+](C)Cc3cccnc3)C2)n1 ZINC000257201348 383493118 /nfs/dbraw/zinc/49/31/18/383493118.db2.gz AHHMZDNISJAZDW-QGZVFWFLSA-N 1 1 296.418 2.886 40 0 CFABMO CCC[N@H+]1CCCC[C@H]1c1cccnc1N1CCOCC1 ZINC000072216241 393645005 /nfs/dbraw/zinc/64/50/05/393645005.db2.gz XMWLTUXNRDTALY-INIZCTEOSA-N 1 1 289.423 2.855 40 0 CFABMO CC(C)C[N@H+]1CCC[C@H]1c1ccc(N2CCOCC2)nc1 ZINC000072216166 393645241 /nfs/dbraw/zinc/64/52/41/393645241.db2.gz CYWNRTMOAODLSW-INIZCTEOSA-N 1 1 289.423 2.711 40 0 CFABMO CC[N@H+]1CCCC[C@H]1c1cnc(N2CCOCC2)c(C)c1 ZINC000072219357 393646649 /nfs/dbraw/zinc/64/66/49/393646649.db2.gz IYMNQPLFMUBBBM-INIZCTEOSA-N 1 1 289.423 2.774 40 0 CFABMO [NH3+][C@@H]1C(=O)N(c2ccccc2)[C@H]1c1ccccc1Cl ZINC000072227367 393647295 /nfs/dbraw/zinc/64/72/95/393647295.db2.gz GXHDDJJKOLFCJH-KBPBESRZSA-N 1 1 272.735 2.755 40 0 CFABMO CCc1ccc(N2C(=O)[C@@H]([NH3+])[C@@H]2c2cccc(OC)c2)cc1 ZINC000072228019 393648525 /nfs/dbraw/zinc/64/85/25/393648525.db2.gz UPHNHECGXZBDJR-IRXDYDNUSA-N 1 1 296.370 2.673 40 0 CFABMO Cc1ccc(N2C(=O)[C@H]([NH3+])[C@@H]2c2ccccc2)cc1C ZINC000072227833 393648622 /nfs/dbraw/zinc/64/86/22/393648622.db2.gz GKBMNHAAZZPIJJ-CVEARBPZSA-N 1 1 266.344 2.719 40 0 CFABMO Cc1cccc(N2C(=O)[C@@H]([NH3+])[C@H]2c2ccccc2F)c1 ZINC000072227434 393648664 /nfs/dbraw/zinc/64/86/64/393648664.db2.gz XPPADCIQOVVVML-LSDHHAIUSA-N 1 1 270.307 2.549 40 0 CFABMO [NH3+][C@H]1C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000072227644 393649218 /nfs/dbraw/zinc/64/92/18/393649218.db2.gz MRFSIQKXUOCXNM-ZIAGYGMSSA-N 1 1 290.725 2.894 40 0 CFABMO O[C@@H](c1ccccc1)[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000031715972 296563231 /nfs/dbraw/zinc/56/32/31/296563231.db2.gz BQRBHUBJRJBXPF-MSOLQXFVSA-N 1 1 283.371 2.794 40 0 CFABMO Clc1nccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000038579678 174147426 /nfs/dbraw/zinc/14/74/26/174147426.db2.gz PCPRHTBVUIMFTD-ZDUSSCGKSA-N 1 1 288.782 2.816 40 0 CFABMO CCN(CC)C(=O)c1ccc(Cn2cc[nH+]c2C)cc1 ZINC000038832601 174157158 /nfs/dbraw/zinc/15/71/58/174157158.db2.gz JEYGJBPKWVZWCX-UHFFFAOYSA-N 1 1 271.364 2.722 40 0 CFABMO C[N@H+](Cc1ccccc1)C[C@H](O)c1cccc(O)c1 ZINC000044136059 175145925 /nfs/dbraw/zinc/14/59/25/175145925.db2.gz JBBZPOHBHNEKIM-INIZCTEOSA-N 1 1 257.333 2.558 40 0 in-vitro CFABMO CCOC(=O)C1CC[NH+](Cc2ccc(F)s2)CC1 ZINC000071792065 176263674 /nfs/dbraw/zinc/26/36/74/176263674.db2.gz VWHFPNALNWXKMW-UHFFFAOYSA-N 1 1 271.357 2.662 40 0 CFABMO C[C@H]1CNCC[N@@H+]1CCCCOc1ccccc1Cl ZINC000071978829 176307562 /nfs/dbraw/zinc/30/75/62/176307562.db2.gz SWRGWYDKOUJRAS-ZDUSSCGKSA-N 1 1 282.815 2.793 40 0 CFABMO C[C@H]1CNCC[N@H+]1CCCCOc1ccccc1Cl ZINC000071978829 176307563 /nfs/dbraw/zinc/30/75/63/176307563.db2.gz SWRGWYDKOUJRAS-ZDUSSCGKSA-N 1 1 282.815 2.793 40 0 CFABMO CCOc1ccc(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1 ZINC000072324622 176369660 /nfs/dbraw/zinc/36/96/60/176369660.db2.gz KMWWJLGVBJSXFB-GDBMZVCRSA-N 1 1 274.408 2.754 40 0 CFABMO Cc1cccnc1Nc1nccnc1[C@H]1CCC[N@H+](C)C1 ZINC000072367710 176382826 /nfs/dbraw/zinc/38/28/26/176382826.db2.gz PAPBXSWAAJUKKE-ZDUSSCGKSA-N 1 1 283.379 2.733 40 0 CFABMO COc1ccccc1C[N@@H+]1CCCC[C@@H]1c1ccnc(N)n1 ZINC000072385087 176389451 /nfs/dbraw/zinc/38/94/51/176389451.db2.gz DVFZFRCCXPBICL-OAHLLOKOSA-N 1 1 298.390 2.795 40 0 CFABMO COc1ccccc1C[N@H+]1CCCC[C@@H]1c1ccnc(N)n1 ZINC000072385087 176389452 /nfs/dbraw/zinc/38/94/52/176389452.db2.gz DVFZFRCCXPBICL-OAHLLOKOSA-N 1 1 298.390 2.795 40 0 CFABMO C[N@H+]1CCC[C@@H](c2nccnc2NC2CCCC2)C1 ZINC000072386475 176391666 /nfs/dbraw/zinc/39/16/66/176391666.db2.gz AWGPNZYFGJCNCT-GFCCVEGCSA-N 1 1 260.385 2.640 40 0 CFABMO C[N@H+]1CCC[C@H](c2nccnc2NC2CCCC2)C1 ZINC000072386474 176391818 /nfs/dbraw/zinc/39/18/18/176391818.db2.gz AWGPNZYFGJCNCT-LBPRGKRZSA-N 1 1 260.385 2.640 40 0 CFABMO CNc1ncccc1C[N@H+]1CCC[C@H](Cc2cccnc2)C1 ZINC000072386202 176391856 /nfs/dbraw/zinc/39/18/56/176391856.db2.gz LDCSDOJTKMMBQR-MRXNPFEDSA-N 1 1 296.418 2.973 40 0 CFABMO COCC[N@@H+]1CC[C@H]1c1cc(NC2CCCC2)nc(C)n1 ZINC000072387439 176392913 /nfs/dbraw/zinc/39/29/13/176392913.db2.gz RNBRRKLOOABTLF-HNNXBMFYSA-N 1 1 290.411 2.533 40 0 CFABMO COCC[N@H+]1CC[C@H]1c1cc(NC2CCCC2)nc(C)n1 ZINC000072387439 176392914 /nfs/dbraw/zinc/39/29/14/176392914.db2.gz RNBRRKLOOABTLF-HNNXBMFYSA-N 1 1 290.411 2.533 40 0 CFABMO Cc1c2ccccc2[nH]c1C[N@H+]1CCC[C@H](CO)C1 ZINC000072397808 176395580 /nfs/dbraw/zinc/39/55/80/176395580.db2.gz OKVKVVRWCVMMQM-ZDUSSCGKSA-N 1 1 258.365 2.681 40 0 CFABMO Cc1nc(=S)[nH]c2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000072415026 176399446 /nfs/dbraw/zinc/39/94/46/176399446.db2.gz UQCXHJAUBHUQBZ-UHFFFAOYSA-N 1 1 271.389 2.632 40 0 CFABMO CN1C(=O)CCC[C@@H]2C[N@H+](Cc3ccsc3)CC[C@H]21 ZINC000257203408 277006387 /nfs/dbraw/zinc/00/63/87/277006387.db2.gz APXFCCXWGSFXMR-ZIAGYGMSSA-N 1 1 278.421 2.581 40 0 CFABMO CC(C)(C)C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000067800946 278325152 /nfs/dbraw/zinc/32/51/52/278325152.db2.gz ZUNQDTVACYAOIU-LLVKDONJSA-N 1 1 256.390 2.632 40 0 CFABMO Cn1ccc([C@@H]2CCCCC[N@@H+]2Cc2ccncc2)n1 ZINC000019291102 294360650 /nfs/dbraw/zinc/36/06/50/294360650.db2.gz QKQPAVHLKQSVNU-INIZCTEOSA-N 1 1 270.380 2.932 40 0 CFABMO Cn1ccc([C@@H]2CCCCC[N@H+]2Cc2ccncc2)n1 ZINC000019291102 294360654 /nfs/dbraw/zinc/36/06/54/294360654.db2.gz QKQPAVHLKQSVNU-INIZCTEOSA-N 1 1 270.380 2.932 40 0 CFABMO Cc1cc(-c2nccnc2[C@@H]2CCC[N@@H+]2C(C)C)n[nH]1 ZINC000257301907 301034434 /nfs/dbraw/zinc/03/44/34/301034434.db2.gz SALXGASWJMVOOB-ZDUSSCGKSA-N 1 1 271.368 2.720 40 0 CFABMO Fc1ccc([C@@H]2[NH2+]CCS2)cc1Br ZINC000050522810 526365099 /nfs/dbraw/zinc/36/50/99/526365099.db2.gz KYTCQIPGSFKRFL-SECBINFHSA-N 1 1 262.147 2.923 40 0 CFABMO [NH3+][C@@H](c1nc(-c2cccs2)n[nH]1)c1ccc(F)cc1 ZINC000095533320 185007532 /nfs/dbraw/zinc/00/75/32/185007532.db2.gz JJWAATPJQGBLNX-LLVKDONJSA-N 1 1 274.324 2.720 40 0 CFABMO C[N@H+]1CCC[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000082332808 177967033 /nfs/dbraw/zinc/96/70/33/177967033.db2.gz JROFPLSCADHFDB-JTQLQIEISA-N 1 1 286.297 2.986 40 0 CFABMO C[C@H](O)C[NH2+][C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000095934837 185033237 /nfs/dbraw/zinc/03/32/37/185033237.db2.gz NXCFIZSEZMALQB-BBRMVZONSA-N 1 1 269.344 2.581 40 0 CFABMO Cc1nccc([C@H]2C[C@@H]3CC[N@@H+](Cc4ccoc4)C[C@H]3O2)n1 ZINC000096046152 185071084 /nfs/dbraw/zinc/07/10/84/185071084.db2.gz RXLOUGDCMXQNQJ-USXIJHARSA-N 1 1 299.374 2.730 40 0 CFABMO c1csc(C[N@H+]2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)c1 ZINC000096053779 185073878 /nfs/dbraw/zinc/07/38/78/185073878.db2.gz QAGHXNLTGUOAEA-GASCZTMLSA-N 1 1 299.443 2.707 40 0 CFABMO Cc1ccc(C[N@H+]2C[C@@H]3CN(c4ccccc4)C(=O)[C@@H]3C2)o1 ZINC000096053580 185074990 /nfs/dbraw/zinc/07/49/90/185074990.db2.gz YMRVJIYUICGOAF-RHSMWYFYSA-N 1 1 296.370 2.683 40 0 CFABMO COC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000096056716 185077337 /nfs/dbraw/zinc/07/73/37/185077337.db2.gz SNXMDLDSVAGHFS-IAGOWNOFSA-N 1 1 293.382 2.843 40 0 CFABMO CCn1ncc2c1[C@@H](COC)C[N@H+](Cc1cccs1)C2 ZINC000096060132 185079864 /nfs/dbraw/zinc/07/98/64/185079864.db2.gz KPRMHBHZBDVTRL-CYBMUJFWSA-N 1 1 291.420 2.710 40 0 CFABMO CCn1ncc2c1[C@@H](COC)C[N@@H+](Cc1cccs1)C2 ZINC000096060132 185079866 /nfs/dbraw/zinc/07/98/66/185079866.db2.gz KPRMHBHZBDVTRL-CYBMUJFWSA-N 1 1 291.420 2.710 40 0 CFABMO CO[C@@H]1CC[N@@H+](CC2CCOCC2)[C@H]1Cc1ccccc1 ZINC000096061581 185082238 /nfs/dbraw/zinc/08/22/38/185082238.db2.gz LAHBVLGEUJDKQZ-ZWKOTPCHSA-N 1 1 289.419 2.745 40 0 CFABMO CC(C)[N@H+]1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC000096063253 185084839 /nfs/dbraw/zinc/08/48/39/185084839.db2.gz JOOXEALKBMJVRI-KRWDZBQOSA-N 1 1 290.382 2.659 40 0 CFABMO Cc1ccc(C[N@H+]2CCc3ncnc(NC4CC4)c3CC2)o1 ZINC000096084024 185092740 /nfs/dbraw/zinc/09/27/40/185092740.db2.gz XHAAOPHMLLDQPL-UHFFFAOYSA-N 1 1 298.390 2.553 40 0 CFABMO CCCC[N@@H+](Cc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000071006062 346918777 /nfs/dbraw/zinc/91/87/77/346918777.db2.gz UFBMVINGYKJHLF-MRXNPFEDSA-N 1 1 295.448 2.784 40 0 CFABMO O=C1Oc2ccccc2[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000033338972 346312137 /nfs/dbraw/zinc/31/21/37/346312137.db2.gz BSSJUCACDKXHPW-HOTGVXAUSA-N 1 1 279.339 2.821 40 0 CFABMO 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FPBZOZUALKCMGP-DZGCQCFKSA-N 1 1 289.375 2.814 40 0 biogenic,in-vitro CFABMO C[C@@H]1[C@H](C(=O)NCCc2ccccc2)C[C@H]2CCCC[N@@H+]12 ZINC000005758906 170137596 /nfs/dbraw/zinc/13/75/96/170137596.db2.gz DWHJHICDODTXMK-DJIMGWMZSA-N 1 1 286.419 2.608 40 0 CFABMO CC(=O)Nc1[o+]nn(-c2ccccc2)c1-c1ccccc1 ZINC000005856472 170147641 /nfs/dbraw/zinc/14/76/41/170147641.db2.gz JWEVPSZRDCOCLP-UHFFFAOYSA-O 1 1 280.307 2.577 40 0 CFABMO O=Cc1ccc(OC[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1O ZINC000005943973 170160343 /nfs/dbraw/zinc/16/03/43/170160343.db2.gz ZHLARUGYDIKKSN-GDBMZVCRSA-N 1 1 289.375 2.848 40 0 CFABMO C[C@H]1CCCC[N@H+]1C[C@H](O)COc1ccccc1Cl ZINC000006455738 170202432 /nfs/dbraw/zinc/20/24/32/170202432.db2.gz UKYJCOVBHITCED-STQMWFEESA-N 1 1 283.799 2.954 40 0 CFABMO Cc1ccc(NC(=S)NC[C@@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000009876129 170388378 /nfs/dbraw/zinc/38/83/78/170388378.db2.gz NJSQGKUYWSNBJS-AWEZNQCLSA-N 1 1 291.464 2.932 40 0 CFABMO C[N@H+]1CCC[C@H](CNC(=S)Nc2ccccc2Cl)C1 ZINC000009876179 170388452 /nfs/dbraw/zinc/38/84/52/170388452.db2.gz OPCOMJLSVVXKPT-LLVKDONJSA-N 1 1 297.855 2.968 40 0 CFABMO O=C(OCc1ccccc1)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000022115351 171352772 /nfs/dbraw/zinc/35/27/72/171352772.db2.gz CHFMXJIJBQZQHL-QGZVFWFLSA-N 1 1 296.370 2.970 40 0 CFABMO CC(C)c1nccn1-c1nccnc1[C@@H]1CCC[N@@H+](C)C1 ZINC000072350497 176373724 /nfs/dbraw/zinc/37/37/24/176373724.db2.gz UYSBSZOTKPWHKY-CYBMUJFWSA-N 1 1 285.395 2.595 40 0 CFABMO CC(C)[N@H+]1CCC[C@@H](Cc2nccnc2Cl)C1 ZINC000072363356 176377456 /nfs/dbraw/zinc/37/74/56/176377456.db2.gz IQHSSJVBLOQEJV-NSHDSACASA-N 1 1 253.777 2.793 40 0 CFABMO CNc1ncccc1C[N@H+]1CCC[C@@H](c2cncc(C)n2)C1 ZINC000072364458 176379280 /nfs/dbraw/zinc/37/92/80/176379280.db2.gz GIJCPULEUOCXPY-CQSZACIVSA-N 1 1 297.406 2.601 40 0 CFABMO C[N@H+]1CCC[C@H](Cc2ccc(-c3cccnc3)nn2)CC1 ZINC000072365138 176379842 /nfs/dbraw/zinc/37/98/42/176379842.db2.gz IBRQJZNUSBNEMK-AWEZNQCLSA-N 1 1 282.391 2.813 40 0 CFABMO c1csc([C@H]2CCC[N@@H+](C3CCOCC3)C2)n1 ZINC000072381927 176387602 /nfs/dbraw/zinc/38/76/02/176387602.db2.gz MIDYUSJFBGYAHD-NSHDSACASA-N 1 1 252.383 2.502 40 0 CFABMO COC(=O)c1ccc(/C=C/C2=CC[N@@H+](C)CC2)cc1 ZINC000012143033 277153859 /nfs/dbraw/zinc/15/38/59/277153859.db2.gz QZSFDSDAYLIXKS-ONEGZZNKSA-N 1 1 257.333 2.748 40 0 CFABMO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](C(C)C)C[C@H]12 ZINC000107260348 278058294 /nfs/dbraw/zinc/05/82/94/278058294.db2.gz NPAMZSABRLNJPF-ROUUACIJSA-N 1 1 286.419 2.659 40 0 CFABMO Brc1cc2c(cc1C[NH+]1CCCC1)OCCO2 ZINC000061757039 518208434 /nfs/dbraw/zinc/20/84/34/518208434.db2.gz DIJQSPIAYVDYAU-UHFFFAOYSA-N 1 1 298.180 2.816 40 0 CFABMO Brc1ccc([C@@H]2[NH2+]CCS2)s1 ZINC000050522664 518216131 /nfs/dbraw/zinc/21/61/31/518216131.db2.gz MQRWKOXEMYBJCX-SSDOTTSWSA-N 1 1 250.186 2.846 40 0 CFABMO C[C@@H](O)C[NH2+][C@@H](C(=O)c1ccccc1)c1ccccc1 ZINC000095934840 185033539 /nfs/dbraw/zinc/03/35/39/185033539.db2.gz NXCFIZSEZMALQB-CZUORRHYSA-N 1 1 269.344 2.581 40 0 CFABMO Cn1ncc2c1C[N@H+](C1CCCC1)C[C@H]2COCC1CC1 ZINC000096044660 185071702 /nfs/dbraw/zinc/07/17/02/185071702.db2.gz XFWYOMVPAVMLLK-AWEZNQCLSA-N 1 1 289.423 2.689 40 0 CFABMO CN1C(=O)CCC[C@]12CCC[N@@H+](Cc1ccsc1)C2 ZINC000096049954 185074429 /nfs/dbraw/zinc/07/44/29/185074429.db2.gz BWZPCOZMITYSTL-OAHLLOKOSA-N 1 1 278.421 2.725 40 0 CFABMO COc1ccc(C[N@H+]2CC[C@H]3C[C@H](C)O[C@@H]3C2)cc1 ZINC000096062533 185083331 /nfs/dbraw/zinc/08/33/31/185083331.db2.gz LHLDYCZMCHJNHL-DUVNUKRYSA-N 1 1 261.365 2.695 40 0 CFABMO COCC[C@H]1CO[C@]2(CC[N@@H+](Cc3ccccc3F)C2)C1 ZINC000096072044 185086813 /nfs/dbraw/zinc/08/68/13/185086813.db2.gz VQYUXQJJJXPFMF-RHSMWYFYSA-N 1 1 293.382 2.843 40 0 CFABMO CCOC[C@H]1C[N@@H+](CCc2ccccc2)Cc2c1cnn2C ZINC000096089253 185094391 /nfs/dbraw/zinc/09/43/91/185094391.db2.gz CIPJYCLBUWHYLT-MRXNPFEDSA-N 1 1 299.418 2.599 40 0 CFABMO F[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1OCc1nc2ccccc2[nH]1 ZINC000096112180 185101257 /nfs/dbraw/zinc/10/12/57/185101257.db2.gz VGMHICYSTATLAY-DOMZBBRYSA-N 1 1 289.354 2.512 40 0 biogenic,in-vitro CFABMO C[C@@H]1CCC[C@@H]1OC[C@@H](O)C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000245229232 348251688 /nfs/dbraw/zinc/25/16/88/348251688.db2.gz ROLPJNXSYMGNIP-OWYFMNJBSA-N 1 1 269.429 2.815 40 0 CFABMO CC(C)(C)OC(=O)N([C@@H](C(=[NH2+])NO)c1ccco1)C1CC1 ZINC000409442512 348602285 /nfs/dbraw/zinc/60/22/85/348602285.db2.gz WEKWPEAIIXIWHX-LLVKDONJSA-N 1 1 295.339 2.676 40 0 CFABMO CO[C@@H]1C[N@@H+](Cc2c[nH]nc2C)CC[C@@H]1Cc1ccccc1 ZINC000585279429 348738874 /nfs/dbraw/zinc/73/88/74/348738874.db2.gz MDDDGYJCJUQLJH-SJLPKXTDSA-N 1 1 299.418 2.798 40 0 CFABMO c1cnc(N2CC[C@@H]3[C@H](C[N@@H+]3CC3CCCCC3)C2)nc1 ZINC000585107992 348734164 /nfs/dbraw/zinc/73/41/64/348734164.db2.gz QKXAMHGROVEQJB-JKSUJKDBSA-N 1 1 286.423 2.567 40 0 CFABMO Cn1cc(C[N@H+]2CC[C@]3(C[C@@H](c4ccccc4)CO3)C2)cn1 ZINC000107785071 186190155 /nfs/dbraw/zinc/19/01/55/186190155.db2.gz NISGUEIHBYIOBH-MSOLQXFVSA-N 1 1 297.402 2.569 40 0 CFABMO O=C(C[NH+]1CCCCCC1)Nc1ccccc1F ZINC000000812162 371651176 /nfs/dbraw/zinc/65/11/76/371651176.db2.gz LQPOEOVHGWTOAP-UHFFFAOYSA-N 1 1 250.317 2.640 40 0 CFABMO C[N@H+]1CCC(c2ccccc2)(c2ccccc2)[C@@H](O)C1 ZINC000001594090 371684565 /nfs/dbraw/zinc/68/45/65/371684565.db2.gz RJCOJCFNNDCSOK-KRWDZBQOSA-N 1 1 267.372 2.669 40 0 CFABMO COC(=O)[C@@H]1CCC[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC000001664908 371691854 /nfs/dbraw/zinc/69/18/54/371691854.db2.gz XANXIGGTTWJFID-GFCCVEGCSA-N 1 1 272.348 2.553 40 0 CFABMO CCCCCC[N@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000001731648 371702818 /nfs/dbraw/zinc/70/28/18/371702818.db2.gz LIDIEESTMCMGMQ-ZDUSSCGKSA-N 1 1 256.390 2.729 40 0 CFABMO CCOC(=O)[C@H]1C[C@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000004343449 371850536 /nfs/dbraw/zinc/85/05/36/371850536.db2.gz XJCLMIPLNVXPDG-RRFJBIMHSA-N 1 1 259.349 2.775 40 0 CFABMO CC(=O)O[C@H]1CC[N@H+](CCc2ccccc2)[C@@H](C)[C@@H]1C ZINC000004601847 371867436 /nfs/dbraw/zinc/86/74/36/371867436.db2.gz YNNDIBSJMPQCKB-ZQIUZPCESA-N 1 1 275.392 2.891 40 0 CFABMO CCc1[nH+]ccn1CCCNC(=O)c1ccc(Cl)cc1 ZINC000010361113 371906257 /nfs/dbraw/zinc/90/62/57/371906257.db2.gz GRHZWUXECHUVCV-UHFFFAOYSA-N 1 1 291.782 2.919 40 0 CFABMO OCC[N@H+](Cc1cccs1)Cc1ccccc1F ZINC000013997407 372056163 /nfs/dbraw/zinc/05/61/63/372056163.db2.gz SZIZVQDCTDVPKX-UHFFFAOYSA-N 1 1 265.353 2.882 40 0 CFABMO OCC[N@@H+](Cc1cccs1)Cc1ccccc1F ZINC000013997407 372056167 /nfs/dbraw/zinc/05/61/67/372056167.db2.gz SZIZVQDCTDVPKX-UHFFFAOYSA-N 1 1 265.353 2.882 40 0 CFABMO CCn1c(C[NH+]2CCCCCC2)nc2ccccc2c1=O ZINC000019524200 372174777 /nfs/dbraw/zinc/17/47/77/372174777.db2.gz BLNYMQNJRXJVNO-UHFFFAOYSA-N 1 1 285.391 2.792 40 0 CFABMO Cc1[nH]c2cccc(C(=O)N[C@H]3CCC[N@H+](C)C3)c2c1C ZINC000019576795 372175774 /nfs/dbraw/zinc/17/57/74/372175774.db2.gz XYNIXGMAKLFSDQ-ZDUSSCGKSA-N 1 1 285.391 2.609 40 0 CFABMO COc1ccccc1/C=C/CN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000019575032 372176772 /nfs/dbraw/zinc/17/67/72/372176772.db2.gz GSCZTLGLYFMIST-AJFISWQDSA-N 1 1 286.419 2.877 40 0 CFABMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCCc1ccccc1 ZINC000019575048 372176800 /nfs/dbraw/zinc/17/68/00/372176800.db2.gz JGUVTYVSQLFMCM-NVXWUHKLSA-N 1 1 258.409 2.788 40 0 CFABMO C[C@H]1C[N@H+]2CCC[C@H]2CN1CCCc1ccccc1 ZINC000019575706 372176897 /nfs/dbraw/zinc/17/68/97/372176897.db2.gz JGUVTYVSQLFMCM-RDJZCZTQSA-N 1 1 258.409 2.788 40 0 CFABMO CC[NH+](CC)CCNCc1ccc(SC)cc1 ZINC000020089722 372229219 /nfs/dbraw/zinc/22/92/19/372229219.db2.gz QANHFEFKOLXTSC-UHFFFAOYSA-N 1 1 252.427 2.840 40 0 CFABMO c1cncc(C[NH+]2CC3(C2)C[C@H](OCC2CC2)CS3)c1 ZINC000247881867 189942704 /nfs/dbraw/zinc/94/27/04/189942704.db2.gz QFEZTSQCYKZURP-HNNXBMFYSA-N 1 1 290.432 2.568 40 0 CFABMO O=C1Oc2ccccc2[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000080274210 374647960 /nfs/dbraw/zinc/64/79/60/374647960.db2.gz BSSJUCACDKXHPW-HZPDHXFCSA-N 1 1 279.339 2.821 40 0 CFABMO C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000082333008 374737953 /nfs/dbraw/zinc/73/79/53/374737953.db2.gz SNKJUFYNIKKKRR-SNVBAGLBSA-N 1 1 286.297 2.986 40 0 CFABMO Cc1cc(-c2noc(C[NH3+])n2)cc(C)c1OCC(C)C ZINC000095095342 375413055 /nfs/dbraw/zinc/41/30/55/375413055.db2.gz DRUBDTLYDMBGPB-UHFFFAOYSA-N 1 1 275.352 2.847 40 0 CFABMO C[C@H](NC[C@H]1CCC[NH2+]C1)c1cccc(Cl)c1 ZINC000095147656 375415522 /nfs/dbraw/zinc/41/55/22/375415522.db2.gz GWAOLQNHZPJBDF-RYUDHWBXSA-N 1 1 252.789 2.990 40 0 CFABMO CC(C)CC[N@H+]1CC[C@@]2(C1)CCCN(c1nncs1)C2 ZINC000096217201 375479007 /nfs/dbraw/zinc/47/90/07/375479007.db2.gz HRAJGGCHBDRJMM-OAHLLOKOSA-N 1 1 294.468 2.877 40 0 CFABMO CC[N@H+]1CCCCC12CCN(C(=O)c1ccccn1)CC2 ZINC000096217557 375480296 /nfs/dbraw/zinc/48/02/96/375480296.db2.gz RGHXHYVBPDSFSR-UHFFFAOYSA-N 1 1 287.407 2.562 40 0 CFABMO CCC[N@@H+]1CCc2nc(NC(C)C)nc(NC3CC3)c2C1 ZINC000096254185 375481006 /nfs/dbraw/zinc/48/10/06/375481006.db2.gz XIDIEJKDLCKESK-UHFFFAOYSA-N 1 1 289.427 2.639 40 0 CFABMO CCC[N@H+]1CCc2nc(NC(C)C)nc(NC3CC3)c2C1 ZINC000096254185 375481011 /nfs/dbraw/zinc/48/10/11/375481011.db2.gz XIDIEJKDLCKESK-UHFFFAOYSA-N 1 1 289.427 2.639 40 0 CFABMO CN1CC[C@@]2(c3ccccc3)CC[N@@H+](CC3CC3)C[C@H]12 ZINC000096251812 375481404 /nfs/dbraw/zinc/48/14/04/375481404.db2.gz QHECJBFSKYLWJM-ROUUACIJSA-N 1 1 270.420 2.744 40 0 CFABMO CC(C)[N@H+]1CC[C@@]2(c3ccccc3)CCN(C)[C@@H]2C1 ZINC000096251811 375481995 /nfs/dbraw/zinc/48/19/95/375481995.db2.gz QAUBHKPALPHLRH-IAGOWNOFSA-N 1 1 258.409 2.743 40 0 CFABMO CC(C)N1CC[C@@]2(c3ccccc3)CC[N@H+](C)[C@@H]2C1 ZINC000096251811 375482001 /nfs/dbraw/zinc/48/20/01/375482001.db2.gz QAUBHKPALPHLRH-IAGOWNOFSA-N 1 1 258.409 2.743 40 0 CFABMO CC(C)N1CC[C@@]2(c3ccccc3)CC[N@@H+](C)[C@@H]2C1 ZINC000096251811 375482009 /nfs/dbraw/zinc/48/20/09/375482009.db2.gz QAUBHKPALPHLRH-IAGOWNOFSA-N 1 1 258.409 2.743 40 0 CFABMO c1cc(-c2ncnc3c2CC[N@@H+](CC2CC2)CC3)co1 ZINC000096255177 375482124 /nfs/dbraw/zinc/48/21/24/375482124.db2.gz OSGXNJRHANGPHJ-UHFFFAOYSA-N 1 1 269.348 2.547 40 0 CFABMO O=C1C[C@H]2[C@H](CC[N@H+]2Cc2cccnc2)N1c1ccsc1 ZINC000096245967 375482156 /nfs/dbraw/zinc/48/21/56/375482156.db2.gz PXSNPKIOXWHSLK-GJZGRUSLSA-N 1 1 299.399 2.523 40 0 CFABMO COc1ccccc1C[NH2+]Cc1ccnn1CC(F)(F)F ZINC000256053710 190005142 /nfs/dbraw/zinc/00/51/42/190005142.db2.gz SNGDIVPLHOONCI-UHFFFAOYSA-N 1 1 299.296 2.744 40 0 CFABMO Cn1ccnc1C[N@@H+]1C[C@@H]2[C@@H](Cc3cccnc3)CC[C@@H]2C1 ZINC000257202672 190010744 /nfs/dbraw/zinc/01/07/44/190010744.db2.gz AMVLTXSTCXXUIQ-BRWVUGGUSA-N 1 1 296.418 2.516 40 0 CFABMO CC(C)[N@H+]1CCC[C@H](Cc2nccnc2-c2nccn2C)C1 ZINC000257210381 190012358 /nfs/dbraw/zinc/01/23/58/190012358.db2.gz BUKGPRRVOMZBCH-CQSZACIVSA-N 1 1 299.422 2.540 40 0 CFABMO CNc1nccc([C@H]2CCCC[N@@H+]2Cc2cccnc2)n1 ZINC000257214885 190013286 /nfs/dbraw/zinc/01/32/86/190013286.db2.gz CNWHSDHXWCOZLQ-OAHLLOKOSA-N 1 1 283.379 2.641 40 0 CFABMO CNc1nccc([C@H]2CCCC[N@H+]2Cc2cccnc2)n1 ZINC000257214885 190013287 /nfs/dbraw/zinc/01/32/87/190013287.db2.gz CNWHSDHXWCOZLQ-OAHLLOKOSA-N 1 1 283.379 2.641 40 0 CFABMO c1cn2c(n1)nccc2[C@H]1CCC[N@H+]1Cc1cncs1 ZINC000257235792 190016995 /nfs/dbraw/zinc/01/69/95/190016995.db2.gz GZMMBPDHJHCUIE-GFCCVEGCSA-N 1 1 285.376 2.523 40 0 CFABMO c1cn2c(n1)nccc2[C@H]1CCC[N@@H+]1Cc1cncs1 ZINC000257235792 190016996 /nfs/dbraw/zinc/01/69/96/190016996.db2.gz GZMMBPDHJHCUIE-GFCCVEGCSA-N 1 1 285.376 2.523 40 0 CFABMO Cc1ccc(C[C@H]2CC[N@@H+](Cc3ccncc3)C2)nc1 ZINC000257222491 190014329 /nfs/dbraw/zinc/01/43/29/190014329.db2.gz DTLWHFDTIZYWQQ-MRXNPFEDSA-N 1 1 267.376 2.850 40 0 CFABMO CC(C)[N@H+]1CCC[C@H](Cc2nccnc2-c2cn[nH]c2)C1 ZINC000257221176 190015044 /nfs/dbraw/zinc/01/50/44/190015044.db2.gz DNUYGZOKYRMSKN-CYBMUJFWSA-N 1 1 285.395 2.530 40 0 CFABMO C[N@H+]1CCN(Cc2ccccn2)C[C@H]1c1ccccc1 ZINC000257255632 190020544 /nfs/dbraw/zinc/02/05/44/190020544.db2.gz KIGPFSWDMQJTPP-KRWDZBQOSA-N 1 1 267.376 2.570 40 0 CFABMO CN1CC[N@H+](Cc2ccccn2)C[C@H]1c1ccccc1 ZINC000257255632 190020546 /nfs/dbraw/zinc/02/05/46/190020546.db2.gz KIGPFSWDMQJTPP-KRWDZBQOSA-N 1 1 267.376 2.570 40 0 CFABMO CN1CC[N@@H+](Cc2ccccn2)C[C@H]1c1ccccc1 ZINC000257255632 190020547 /nfs/dbraw/zinc/02/05/47/190020547.db2.gz KIGPFSWDMQJTPP-KRWDZBQOSA-N 1 1 267.376 2.570 40 0 CFABMO Cc1cnc([C@H]2C[N@H+](CC3CCCCC3)CCO2)cn1 ZINC000257242321 190018414 /nfs/dbraw/zinc/01/84/14/190018414.db2.gz IBXCJAXRIDTERT-MRXNPFEDSA-N 1 1 275.396 2.739 40 0 CFABMO Cc1cnc([C@H]2C[N@@H+](CC3CCCCC3)CCO2)cn1 ZINC000257242321 190018415 /nfs/dbraw/zinc/01/84/15/190018415.db2.gz IBXCJAXRIDTERT-MRXNPFEDSA-N 1 1 275.396 2.739 40 0 CFABMO CNc1cc([C@@H]2CCC[N@@H+](Cc3cnn(C)c3C)C2)ccn1 ZINC000257267898 190023385 /nfs/dbraw/zinc/02/33/85/190023385.db2.gz MJICTHDBAWBGCP-OAHLLOKOSA-N 1 1 299.422 2.545 40 0 CFABMO Cc1ncsc1C[N@@H+]1CCN(C)[C@H](c2ccccc2)C1 ZINC000257253258 190021149 /nfs/dbraw/zinc/02/11/49/190021149.db2.gz JYECSQTWMWCTRY-HNNXBMFYSA-N 1 1 287.432 2.940 40 0 CFABMO Cc1cc(-c2cncc(C[C@H]3CCC[N@H+](C(C)C)C3)n2)n[nH]1 ZINC000257262077 190022322 /nfs/dbraw/zinc/02/23/22/190022322.db2.gz LJYKGZQDAVFHQH-CQSZACIVSA-N 1 1 299.422 2.838 40 0 CFABMO C[N@H+]1CCCC[C@@H]2N(C(=O)c3cccnc3)CCC[C@@]21C ZINC000257279732 190025599 /nfs/dbraw/zinc/02/55/99/190025599.db2.gz OHXYOJLUBNBAOT-RDJZCZTQSA-N 1 1 287.407 2.561 40 0 CFABMO CNc1ncccc1C[N@H+]1CCC[C@@H](Cc2ccccn2)C1 ZINC000257276339 190024532 /nfs/dbraw/zinc/02/45/32/190024532.db2.gz NTGVEYXMADBDPA-HNNXBMFYSA-N 1 1 296.418 2.973 40 0 CFABMO COc1ccc(C[N@H+]2CC[C@@H](c3nc(C)c[nH]3)C2)cc1 ZINC000257307623 190031349 /nfs/dbraw/zinc/03/13/49/190031349.db2.gz SZNJFYILPFGHHE-CQSZACIVSA-N 1 1 271.364 2.716 40 0 CFABMO c1cn2cnc([C@@H]3CC[N@H+](Cc4cncs4)C3)c2s1 ZINC000257330957 190035582 /nfs/dbraw/zinc/03/55/82/190035582.db2.gz XQTJUZSFKBUKQV-SNVBAGLBSA-N 1 1 290.417 2.842 40 0 CFABMO C[N@@H+]1CCCC[C@@H]1c1csc(Nc2cnccn2)n1 ZINC000257332340 190035791 /nfs/dbraw/zinc/03/57/91/190035791.db2.gz XWWBRVFNNICONS-LLVKDONJSA-N 1 1 275.381 2.834 40 0 CFABMO C[N@H+]1CCCC[C@@H]1c1csc(Nc2cnccn2)n1 ZINC000257332340 190035792 /nfs/dbraw/zinc/03/57/92/190035792.db2.gz XWWBRVFNNICONS-LLVKDONJSA-N 1 1 275.381 2.834 40 0 CFABMO Fc1cccc(C[N@@H+]2CCC[C@@H]2c2cnccn2)c1 ZINC000257336727 190036128 /nfs/dbraw/zinc/03/61/28/190036128.db2.gz YPTFBXSSOWUIHX-OAHLLOKOSA-N 1 1 257.312 2.953 40 0 CFABMO Fc1cccc(C[N@H+]2CCC[C@@H]2c2cnccn2)c1 ZINC000257336727 190036129 /nfs/dbraw/zinc/03/61/29/190036129.db2.gz YPTFBXSSOWUIHX-OAHLLOKOSA-N 1 1 257.312 2.953 40 0 CFABMO c1cc([C@@H]2CC[N@H+](Cc3ccc4ncccc4c3)C2)n[nH]1 ZINC000257334348 190036621 /nfs/dbraw/zinc/03/66/21/190036621.db2.gz YFMUUSTVXKXRRA-OAHLLOKOSA-N 1 1 278.359 2.947 40 0 CFABMO c1cc([C@@H]2CC[N@@H+](Cc3ccc4ncccc4c3)C2)[nH]n1 ZINC000257334348 190036622 /nfs/dbraw/zinc/03/66/22/190036622.db2.gz YFMUUSTVXKXRRA-OAHLLOKOSA-N 1 1 278.359 2.947 40 0 CFABMO c1cc([C@@H]2CC[N@H+](Cc3ccc4ncccc4c3)C2)[nH]n1 ZINC000257334348 190036623 /nfs/dbraw/zinc/03/66/23/190036623.db2.gz YFMUUSTVXKXRRA-OAHLLOKOSA-N 1 1 278.359 2.947 40 0 CFABMO c1cc([C@H]2CC[N@H+](Cc3ccc4cc[nH]c4c3)C2)n[nH]1 ZINC000257339864 190036770 /nfs/dbraw/zinc/03/67/70/190036770.db2.gz ZDNBPOHZXKCCJF-AWEZNQCLSA-N 1 1 266.348 2.881 40 0 CFABMO c1cc([C@H]2CC[N@@H+](Cc3ccc4cc[nH]c4c3)C2)[nH]n1 ZINC000257339864 190036771 /nfs/dbraw/zinc/03/67/71/190036771.db2.gz ZDNBPOHZXKCCJF-AWEZNQCLSA-N 1 1 266.348 2.881 40 0 CFABMO c1cc([C@H]2CC[N@H+](Cc3ccc4cc[nH]c4c3)C2)[nH]n1 ZINC000257339864 190036772 /nfs/dbraw/zinc/03/67/72/190036772.db2.gz ZDNBPOHZXKCCJF-AWEZNQCLSA-N 1 1 266.348 2.881 40 0 CFABMO Cc1c[nH]c([C@H]2CCC[N@@H+](CCOc3ccccc3)C2)n1 ZINC000257341940 190037276 /nfs/dbraw/zinc/03/72/76/190037276.db2.gz ZMMUWYXZQIIBEV-HNNXBMFYSA-N 1 1 285.391 2.977 40 0 CFABMO CO[C@H]1CCOC2(C[NH+](Cc3cccc4[nH]ccc43)C2)C1 ZINC000247984360 383204767 /nfs/dbraw/zinc/20/47/67/383204767.db2.gz YNEUFPCVMHLCSO-AWEZNQCLSA-N 1 1 286.375 2.548 40 0 CFABMO COc1ccc2c(c1)[C@@]13CC[N@@H+](C)[C@@H](C2)[C@H]1[C@@H](C)CC(=O)C3 ZINC000253504370 383462405 /nfs/dbraw/zinc/46/24/05/383462405.db2.gz FVZCKWRBLLZDHV-RCUQFMMVSA-N 1 1 299.414 2.808 40 0 biogenic,in-vitro CFABMO C[N@@H+](Cc1cncs1)[C@H]1CCCN(c2ccccn2)C1 ZINC000257218946 383493482 /nfs/dbraw/zinc/49/34/82/383493482.db2.gz DEZCYOKARMGXDR-ZDUSSCGKSA-N 1 1 288.420 2.639 40 0 CFABMO Cc1ccc(N2CCC[C@H](Cc3cc[nH]n3)C2)[nH+]c1 ZINC000257213322 383493697 /nfs/dbraw/zinc/49/36/97/383493697.db2.gz CHBCAMGYDWUFAI-CYBMUJFWSA-N 1 1 256.353 2.572 40 0 CFABMO Cc1c[nH]c([C@@H]2CCCN(c3cccc(C)[nH+]3)C2)n1 ZINC000257332916 383495371 /nfs/dbraw/zinc/49/53/71/383495371.db2.gz XZIGDLBUPFEJEC-CYBMUJFWSA-N 1 1 256.353 2.806 40 0 CFABMO CC(C)CC[N@H+]1CC[C@]2(C1)CCCN(c1nncs1)C2 ZINC000096217205 256825581 /nfs/dbraw/zinc/82/55/81/256825581.db2.gz HRAJGGCHBDRJMM-HNNXBMFYSA-N 1 1 294.468 2.877 40 0 CFABMO CC[N@H+]1CC[C@]2(c3ccccc3)CCN(C(=O)C3CC3)C[C@H]12 ZINC000096251901 256834676 /nfs/dbraw/zinc/83/46/76/256834676.db2.gz PHBHBAPCLDGUFX-PKOBYXMFSA-N 1 1 298.430 2.661 40 0 CFABMO CCOC(=O)[C@H]([NH3+])C1(Nc2ccccc2)CCCCC1 ZINC000072210563 393643762 /nfs/dbraw/zinc/64/37/62/393643762.db2.gz JIZOZWJHDBQORV-AWEZNQCLSA-N 1 1 276.380 2.692 40 0 CFABMO Cc1[nH+]c(N)ccc1[C@H]1CCCN1C(=O)c1ccccc1 ZINC000072218568 393645096 /nfs/dbraw/zinc/64/50/96/393645096.db2.gz PGHYALQHAUMPBG-OAHLLOKOSA-N 1 1 281.359 2.950 40 0 CFABMO CC[N@H+]1CCCC[C@H]1c1cnc(N2CCOCC2)cc1C ZINC000072219417 393646054 /nfs/dbraw/zinc/64/60/54/393646054.db2.gz XTGIIOZBZFHPLY-INIZCTEOSA-N 1 1 289.423 2.774 40 0 CFABMO Cc1[nH+]c(N2CCCCC2)ccc1[C@H]1CCCN1C=O ZINC000072219268 393646600 /nfs/dbraw/zinc/64/66/00/393646600.db2.gz AZKVIIBOYZDFOX-OAHLLOKOSA-N 1 1 273.380 2.674 40 0 CFABMO [NH3+][C@@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1Cl ZINC000072227230 393647378 /nfs/dbraw/zinc/64/73/78/393647378.db2.gz GRSSHRTUTBNXNL-UONOGXRCSA-N 1 1 290.725 2.894 40 0 CFABMO Cc1[nH+]c(NC2CC2)ccc1CNC(=O)OC(C)(C)C ZINC000072224849 393647431 /nfs/dbraw/zinc/64/74/31/393647431.db2.gz AGOLMYBVBHUOQK-UHFFFAOYSA-N 1 1 277.368 2.989 40 0 CFABMO Cc1ccc(N2C(=O)[C@H]([NH3+])[C@H]2c2ccccc2)cc1C ZINC000072227832 393648903 /nfs/dbraw/zinc/64/89/03/393648903.db2.gz GKBMNHAAZZPIJJ-HZPDHXFCSA-N 1 1 266.344 2.719 40 0 CFABMO CCc1ccc(N2C(=O)[C@H]([NH3+])[C@@H]2c2ccc(C)cc2)cc1 ZINC000072228009 393649119 /nfs/dbraw/zinc/64/91/19/393649119.db2.gz OENFDZSZTKVNFF-SJORKVTESA-N 1 1 280.371 2.973 40 0 CFABMO CCOc1ccc(N2C(=O)[C@@H]([NH3+])[C@@H]2c2ccc(C)cc2)cc1 ZINC000072228063 393649242 /nfs/dbraw/zinc/64/92/42/393649242.db2.gz AXRVTZQAAJBOCS-IRXDYDNUSA-N 1 1 296.370 2.809 40 0 CFABMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095097523 393811749 /nfs/dbraw/zinc/81/17/49/393811749.db2.gz SIVVZWMWICPALD-CHWSQXEVSA-N 1 1 268.401 2.728 40 0 CFABMO CC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCN(c1ccc(C)nn1)C2 ZINC000096217095 393817043 /nfs/dbraw/zinc/81/70/43/393817043.db2.gz OUSXKZPZYZMLOP-NVXWUHKLSA-N 1 1 288.439 2.876 40 0 CFABMO CCSc1ccccc1C(=O)N1CC[NH+](CC)CC1 ZINC000006843167 170248326 /nfs/dbraw/zinc/24/83/26/170248326.db2.gz GIVZPGFBYPQIMC-UHFFFAOYSA-N 1 1 278.421 2.576 40 0 CFABMO Cc1ccc(C)c(NC(=S)NC[C@H]2CCC[N@H+](C)C2)c1 ZINC000009876146 170388148 /nfs/dbraw/zinc/38/81/48/170388148.db2.gz GDCFZJUDLBRQIH-CQSZACIVSA-N 1 1 291.464 2.932 40 0 CFABMO CNc1ccc(-c2noc([C@@H]3CCC[N@H+]3C(C)C)n2)cn1 ZINC000035426194 172193697 /nfs/dbraw/zinc/19/36/97/172193697.db2.gz NYGFXYSOEGZPPI-LBPRGKRZSA-N 1 1 287.367 2.719 40 0 biogenic,in-vitro CFABMO CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038832229 174157163 /nfs/dbraw/zinc/15/71/63/174157163.db2.gz KZLDTOGBBKPWKT-GDBMZVCRSA-N 1 1 274.408 2.813 40 0 CFABMO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCCC1 ZINC000038832663 174157554 /nfs/dbraw/zinc/15/75/54/174157554.db2.gz YYSNZHMVXQDNNU-MRXNPFEDSA-N 1 1 272.392 2.521 40 0 CFABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2cccnc2)cc1 ZINC000038849763 174158401 /nfs/dbraw/zinc/15/84/01/174158401.db2.gz CXPXGJRYXSJYCW-UHFFFAOYSA-N 1 1 292.342 2.887 40 0 CFABMO O=C(NCc1ccco1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038849015 174158406 /nfs/dbraw/zinc/15/84/06/174158406.db2.gz RMTPFTMJDLLYBO-INIZCTEOSA-N 1 1 298.386 2.808 40 0 CFABMO NC(=O)C[C@H]([NH3+])c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000044253018 175156428 /nfs/dbraw/zinc/15/64/28/175156428.db2.gz MWCNOWHTJLGHGH-JTQLQIEISA-N 1 1 298.264 2.841 40 0 CFABMO Clc1cccc(OCCc2cc([C@H]3CC[NH2+]C3)n[nH]2)c1 ZINC000072344104 176372712 /nfs/dbraw/zinc/37/27/12/176372712.db2.gz KEOWHFISTJISJH-NSHDSACASA-N 1 1 291.782 2.762 40 0 CFABMO COc1cccc(-c2cncc([C@@H]3CCC[N@@H+](C)C3)n2)c1 ZINC000072359276 176376705 /nfs/dbraw/zinc/37/67/05/176376705.db2.gz WWBODDUZVVHKJI-CQSZACIVSA-N 1 1 283.375 2.961 40 0 CFABMO CC[N@H+]1CCC[C@@H](c2csc(Nc3cnccn3)n2)C1 ZINC000072363451 176378225 /nfs/dbraw/zinc/37/82/25/176378225.db2.gz HKDGTVXCPWRRDT-LLVKDONJSA-N 1 1 289.408 2.876 40 0 CFABMO c1cc(C[N@H+]2CCC[C@@H](c3ccncc3)C2)ccn1 ZINC000072367930 176382547 /nfs/dbraw/zinc/38/25/47/176382547.db2.gz YIPRVTYOJGXJTI-MRXNPFEDSA-N 1 1 253.349 2.856 40 0 CFABMO CC(C)C[N@H+]1CCC[C@H]1c1nccnc1Nc1cnccn1 ZINC000072384602 176388851 /nfs/dbraw/zinc/38/88/51/176388851.db2.gz IZOCJYNFFHTEHL-ZDUSSCGKSA-N 1 1 298.394 2.803 40 0 CFABMO Nc1nccc([C@H]2CCCC[N@@H+]2Cc2ccccc2F)n1 ZINC000072384966 176388963 /nfs/dbraw/zinc/38/89/63/176388963.db2.gz QWGRMSIRWXJEBN-OAHLLOKOSA-N 1 1 286.354 2.925 40 0 CFABMO Nc1nccc([C@H]2CCCC[N@H+]2Cc2ccccc2F)n1 ZINC000072384966 176388965 /nfs/dbraw/zinc/38/89/65/176388965.db2.gz QWGRMSIRWXJEBN-OAHLLOKOSA-N 1 1 286.354 2.925 40 0 CFABMO CNc1cncc([C@H]2CCC[N@@H+]2Cc2cccc(C)n2)n1 ZINC000072385801 176390324 /nfs/dbraw/zinc/39/03/24/176390324.db2.gz KWODPXRHCGIKNN-OAHLLOKOSA-N 1 1 283.379 2.559 40 0 CFABMO CNc1cncc([C@H]2CCC[N@H+]2Cc2cccc(C)n2)n1 ZINC000072385801 176390325 /nfs/dbraw/zinc/39/03/25/176390325.db2.gz KWODPXRHCGIKNN-OAHLLOKOSA-N 1 1 283.379 2.559 40 0 CFABMO Cn1cc(C[N@H+]2CC[C@H](c3cc[nH]n3)C2)c2ccccc21 ZINC000072386180 176390998 /nfs/dbraw/zinc/39/09/98/176390998.db2.gz CIZSPDJWRMJPGN-ZDUSSCGKSA-N 1 1 280.375 2.891 40 0 CFABMO Cn1cc(C[N@@H+]2CC[C@H](c3ccn[nH]3)C2)c2ccccc21 ZINC000072386180 176390999 /nfs/dbraw/zinc/39/09/99/176390999.db2.gz CIZSPDJWRMJPGN-ZDUSSCGKSA-N 1 1 280.375 2.891 40 0 CFABMO Cn1cc(C[N@H+]2CC[C@H](c3ccn[nH]3)C2)c2ccccc21 ZINC000072386180 176391001 /nfs/dbraw/zinc/39/10/01/176391001.db2.gz CIZSPDJWRMJPGN-ZDUSSCGKSA-N 1 1 280.375 2.891 40 0 CFABMO C[N@H+]1CCC[C@@H]1c1cccc(NCc2ccncc2)n1 ZINC000072386712 176392195 /nfs/dbraw/zinc/39/21/95/176392195.db2.gz IZIOCNRMGFPVNW-OAHLLOKOSA-N 1 1 268.364 2.855 40 0 CFABMO OCC[C@@H]1CCCC[N@H+]1Cc1c[nH]nc1-c1cccs1 ZINC000072397791 176395517 /nfs/dbraw/zinc/39/55/17/176395517.db2.gz CXKCWLGIGPEHBS-ZDUSSCGKSA-N 1 1 291.420 2.875 40 0 CFABMO C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1nccs1 ZINC000079438527 177490776 /nfs/dbraw/zinc/49/07/76/177490776.db2.gz VCUOTRDUUFDWEQ-QWRGUYRKSA-N 1 1 297.424 2.803 40 0 CFABMO CC(C)n1nccc1-c1nccnc1C[C@H]1CCC[N@@H+](C)C1 ZINC000257204072 276091391 /nfs/dbraw/zinc/09/13/91/276091391.db2.gz ASYDSSLVDDROSS-CQSZACIVSA-N 1 1 299.422 2.805 40 0 CFABMO CCOC[C@H]1C[N@H+](Cc2ccsc2)Cc2cn(C)nc21 ZINC000096059831 276334426 /nfs/dbraw/zinc/33/44/26/276334426.db2.gz CXTLGJVQRPCCGT-CQSZACIVSA-N 1 1 291.420 2.618 40 0 CFABMO CCOC[C@H]1C[N@@H+](Cc2ccsc2)Cc2cn(C)nc21 ZINC000096059831 276334428 /nfs/dbraw/zinc/33/44/28/276334428.db2.gz CXTLGJVQRPCCGT-CQSZACIVSA-N 1 1 291.420 2.618 40 0 CFABMO Cc1[nH+]ccn1CC1(c2ccc(Cl)cc2)OCCO1 ZINC000013281800 326838882 /nfs/dbraw/zinc/83/88/82/326838882.db2.gz VZTUYWLYGFWREO-UHFFFAOYSA-N 1 1 278.739 2.745 40 0 CFABMO Brc1csc([C@@H]2[NH2+]CCS2)c1 ZINC000050522852 518236220 /nfs/dbraw/zinc/23/62/20/518236220.db2.gz NEIKFCSXENYFIT-SSDOTTSWSA-N 1 1 250.186 2.846 40 0 CFABMO C[C@]1(C(F)(F)F)C[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000228905272 525235050 /nfs/dbraw/zinc/23/50/50/525235050.db2.gz GDPKXXOYAFTTGT-OLZOCXBDSA-N 1 1 273.298 2.679 40 0 CFABMO Cc1cccc(-c2nnc([C@H]([NH3+])c3ccc(F)cc3)[nH]2)c1 ZINC000095533336 185005557 /nfs/dbraw/zinc/00/55/57/185005557.db2.gz QSNVJUDSMYRSHF-CQSZACIVSA-N 1 1 282.322 2.967 40 0 CFABMO [NH3+][C@H](c1nc(-c2cccnc2)n[nH]1)c1ccc(Cl)cc1 ZINC000095533961 185005611 /nfs/dbraw/zinc/00/56/11/185005611.db2.gz DCYSRXAPJHSUMA-LBPRGKRZSA-N 1 1 285.738 2.568 40 0 CFABMO [NH3+][C@@H](c1nc(-c2ccccc2F)n[nH]1)c1ccc(F)cc1 ZINC000095533302 185005650 /nfs/dbraw/zinc/00/56/50/185005650.db2.gz HGKWBVVXBCLVAX-CYBMUJFWSA-N 1 1 286.285 2.798 40 0 CFABMO Cc1occc1-c1n[nH]c([C@H]([NH3+])c2ccc(C)cc2)n1 ZINC000095534105 185006173 /nfs/dbraw/zinc/00/61/73/185006173.db2.gz ZSBWVQMXVAHFEF-CYBMUJFWSA-N 1 1 268.320 2.730 40 0 CFABMO Cc1ccc(-c2nnc([C@@H]([NH3+])c3ccccc3)[nH]2)cc1 ZINC000095533467 185006494 /nfs/dbraw/zinc/00/64/94/185006494.db2.gz PXOMJRFYQZJQLQ-AWEZNQCLSA-N 1 1 264.332 2.828 40 0 CFABMO [NH3+][C@H](c1nc(-c2ccccc2F)n[nH]1)c1ccc(F)cc1 ZINC000095533303 185006515 /nfs/dbraw/zinc/00/65/15/185006515.db2.gz HGKWBVVXBCLVAX-ZDUSSCGKSA-N 1 1 286.285 2.798 40 0 CFABMO CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(C)o1)C2 ZINC000096039326 185069467 /nfs/dbraw/zinc/06/94/67/185069467.db2.gz DEJDKHNIGFFHTQ-SJORKVTESA-N 1 1 293.407 2.996 40 0 CFABMO c1cc(C[N@@H+]2CCC3(CN(Cc4ccncc4)C3)C2)cs1 ZINC000096046489 185071098 /nfs/dbraw/zinc/07/10/98/185071098.db2.gz CHSQVMPPRVUZLH-UHFFFAOYSA-N 1 1 299.443 2.851 40 0 CFABMO Cc1ccc(C[N@H+]2CC[C@H]3C[C@H](c4ccncn4)O[C@@H]3C2)o1 ZINC000096046115 185071759 /nfs/dbraw/zinc/07/17/59/185071759.db2.gz COLWVRCYUMORJY-IAOVAPTHSA-N 1 1 299.374 2.730 40 0 CFABMO c1cc(CN2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)cs1 ZINC000096053727 185074680 /nfs/dbraw/zinc/07/46/80/185074680.db2.gz ZKJRVYIHLDIHNC-IRXDYDNUSA-N 1 1 299.443 2.707 40 0 CFABMO CC(C)C[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)c1ccsc1 ZINC000096055783 185076073 /nfs/dbraw/zinc/07/60/73/185076073.db2.gz JXPIFEAGSLHOHE-UONOGXRCSA-N 1 1 278.421 2.693 40 0 CFABMO Cc1ccc(CN2C[C@@H]3C[N@@H+](CC4CC4)CC[C@@H]3C2)o1 ZINC000096054132 185076292 /nfs/dbraw/zinc/07/62/92/185076292.db2.gz IGOGVRRMIJESEN-CVEARBPZSA-N 1 1 274.408 2.752 40 0 CFABMO Cc1ccc(CN2C[C@@H]3C[N@H+](CC4CC4)CC[C@@H]3C2)o1 ZINC000096054132 185076294 /nfs/dbraw/zinc/07/62/94/185076294.db2.gz IGOGVRRMIJESEN-CVEARBPZSA-N 1 1 274.408 2.752 40 0 CFABMO CC(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccsc3)C2)C1 ZINC000096071586 185087299 /nfs/dbraw/zinc/08/72/99/185087299.db2.gz UHZOXPMPGXAUKE-OAHLLOKOSA-N 1 1 278.421 2.583 40 0 CFABMO CC(C)[N@H+]1C[C@@H](F)[C@@H](OCc2nc3cc(F)ccc3[nH]2)C1 ZINC000096112230 185101118 /nfs/dbraw/zinc/10/11/18/185101118.db2.gz ZOTYBZXFKSMEQT-RISCZKNCSA-N 1 1 295.333 2.649 40 0 biogenic,in-vitro CFABMO C[NH+]1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)CC1 ZINC000036625112 539441133 /nfs/dbraw/zinc/44/11/33/539441133.db2.gz SFBNNUXSPGFSCD-UHFFFAOYSA-N 1 1 275.396 2.763 40 0 CFABMO CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038832232 346340022 /nfs/dbraw/zinc/34/00/22/346340022.db2.gz KZLDTOGBBKPWKT-HOCLYGCPSA-N 1 1 274.408 2.813 40 0 CFABMO Nc1ccccc1OC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000039314951 346343454 /nfs/dbraw/zinc/34/34/54/346343454.db2.gz ARBZNWSAHIHYFO-DZGCQCFKSA-N 1 1 260.381 2.912 40 0 CFABMO COc1ccc([C@@H](C)[N@@H+]2CCN[C@@H]3CCCC[C@@H]32)cc1 ZINC000225714977 348179344 /nfs/dbraw/zinc/17/93/44/348179344.db2.gz KUSCMGFHXLDZSL-XYPHTWIQSA-N 1 1 274.408 2.973 40 0 CFABMO COc1ccc([C@@H](C)[N@H+]2CCN[C@@H]3CCCC[C@@H]32)cc1 ZINC000225714977 348179348 /nfs/dbraw/zinc/17/93/48/348179348.db2.gz KUSCMGFHXLDZSL-XYPHTWIQSA-N 1 1 274.408 2.973 40 0 CFABMO c1csc([C@H](C2CCSCC2)[NH+]2CCNCC2)c1 ZINC000409439424 348602638 /nfs/dbraw/zinc/60/26/38/348602638.db2.gz HGXBKOLPSSEEHP-AWEZNQCLSA-N 1 1 282.478 2.838 40 0 CFABMO CO[C@H]1CCC[N@@H+](Cc2cnc[nH]2)[C@H]1Cc1ccccc1 ZINC000585273959 348738620 /nfs/dbraw/zinc/73/86/20/348738620.db2.gz GZBMLQCBNVJKOF-IRXDYDNUSA-N 1 1 285.391 2.632 40 0 CFABMO CO[C@H]1CCC[N@H+](Cc2c[nH]cn2)[C@H]1Cc1ccccc1 ZINC000585273959 348738623 /nfs/dbraw/zinc/73/86/23/348738623.db2.gz GZBMLQCBNVJKOF-IRXDYDNUSA-N 1 1 285.391 2.632 40 0 CFABMO CO[C@H]1CCC[N@@H+](Cc2c[nH]cn2)[C@H]1Cc1ccccc1 ZINC000585273959 348738626 /nfs/dbraw/zinc/73/86/26/348738626.db2.gz GZBMLQCBNVJKOF-IRXDYDNUSA-N 1 1 285.391 2.632 40 0 CFABMO c1cc2n(n1)[C@@H](COc1ccccn1)C[N@H+](CC1CCC1)C2 ZINC000585112621 348734715 /nfs/dbraw/zinc/73/47/15/348734715.db2.gz SDXRNTLENAEXGY-MRXNPFEDSA-N 1 1 298.390 2.514 40 0 CFABMO c1cc2n(n1)[C@@H](COc1ccccn1)C[N@@H+](CC1CCC1)C2 ZINC000585112621 348734717 /nfs/dbraw/zinc/73/47/17/348734717.db2.gz SDXRNTLENAEXGY-MRXNPFEDSA-N 1 1 298.390 2.514 40 0 CFABMO C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(N)cc2Cl)C1 ZINC000004212821 371842341 /nfs/dbraw/zinc/84/23/41/371842341.db2.gz YMBWSFWVMBXXCI-SNVBAGLBSA-N 1 1 281.787 2.593 40 0 CFABMO C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(N)cc2Cl)C1 ZINC000004212821 371842349 /nfs/dbraw/zinc/84/23/49/371842349.db2.gz YMBWSFWVMBXXCI-SNVBAGLBSA-N 1 1 281.787 2.593 40 0 CFABMO COc1ccc(/C=C/CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1 ZINC000019575676 372175663 /nfs/dbraw/zinc/17/56/63/372175663.db2.gz XKPYGZIQFOIGTK-JRKQMZJPSA-N 1 1 286.419 2.877 40 0 CFABMO CC(C)(C)c1nnc([C@H]2CC[N@@H+](Cc3ccco3)C2)o1 ZINC000049170634 373274441 /nfs/dbraw/zinc/27/44/41/373274441.db2.gz JRAHKLFGADAOHA-NSHDSACASA-N 1 1 275.352 2.950 40 0 biogenic,in-vitro CFABMO CC(=O)c1cccc(Nc2cc(N)[nH+]c(C3CC3)n2)c1 ZINC000049467649 373299861 /nfs/dbraw/zinc/29/98/61/373299861.db2.gz MVQGTWXKNRZDHL-UHFFFAOYSA-N 1 1 268.320 2.882 40 0 CFABMO CN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1ccsc1)C2 ZINC000096049953 375469010 /nfs/dbraw/zinc/46/90/10/375469010.db2.gz BWZPCOZMITYSTL-HNNXBMFYSA-N 1 1 278.421 2.725 40 0 CFABMO c1cncc(CN2C[C@@H]3C[N@@H+](CC4CCCC4)C[C@@H]3C2)c1 ZINC000096161507 375472198 /nfs/dbraw/zinc/47/21/98/375472198.db2.gz LKNXQVYVQFAHNL-HDICACEKSA-N 1 1 285.435 2.635 40 0 CFABMO Cc1cccc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2ccccn2)n1 ZINC000096184719 375475343 /nfs/dbraw/zinc/47/53/43/375475343.db2.gz VGMMNRHFPGMNPO-SJORKVTESA-N 1 1 294.402 2.638 40 0 CFABMO COC[C@H]1CCC2(CCN(Cc3ccsc3)CC2)[N@H+]1C ZINC000096207876 375476819 /nfs/dbraw/zinc/47/68/19/375476819.db2.gz VLXQNCBPJRWXHV-OAHLLOKOSA-N 1 1 294.464 2.823 40 0 CFABMO CCO[C@@H]1CC[N@@H+](Cc2ccco2)[C@@H]1Cc1cccnc1 ZINC000096200494 375476898 /nfs/dbraw/zinc/47/68/98/375476898.db2.gz VTDHNGUOAVFLLP-IAGOWNOFSA-N 1 1 286.375 2.897 40 0 CFABMO CCOC[C@H]1CCC2(CCN(Cc3ccco3)CC2)[N@H+]1C ZINC000096209498 375477949 /nfs/dbraw/zinc/47/79/49/375477949.db2.gz KHWUZVCPBWUCPN-OAHLLOKOSA-N 1 1 292.423 2.745 40 0 CFABMO c1c[nH]c(C[N@@H+]2C[C@H]3OC[C@@H](COc4ccccc4)[C@H]3C2)c1 ZINC000096216844 375479330 /nfs/dbraw/zinc/47/93/30/375479330.db2.gz HGTKAPXAXUXIRW-ZTFGCOKTSA-N 1 1 298.386 2.541 40 0 CFABMO COCC[C@@H]1CO[C@@]2(CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000096218263 375479634 /nfs/dbraw/zinc/47/96/34/375479634.db2.gz CJGSUPVBJMPBTM-ROUUACIJSA-N 1 1 289.419 2.747 40 0 CFABMO COc1ccccc1C[NH2+]Cc1ccnn1C(C)C ZINC000256054095 190005011 /nfs/dbraw/zinc/00/50/11/190005011.db2.gz UXGDFTAHDHHDRU-UHFFFAOYSA-N 1 1 259.353 2.762 40 0 CFABMO CC(C)Cn1nccc1C[NH2+]Cc1cc(C(C)C)nn1C ZINC000256054048 190005184 /nfs/dbraw/zinc/00/51/84/190005184.db2.gz UTAXMBRFWOILDI-UHFFFAOYSA-N 1 1 289.427 2.686 40 0 CFABMO C[N@H+]1CCC[C@H](Cc2cnc(Br)cn2)CC1 ZINC000257197804 190010037 /nfs/dbraw/zinc/01/00/37/190010037.db2.gz 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190023843 /nfs/dbraw/zinc/02/38/43/190023843.db2.gz MSSUNTYCABWKFC-CQSZACIVSA-N 1 1 299.422 2.634 40 0 CFABMO CCCn1cc(C[N@H+]2CCC[C@@H](c3nc(C)c[nH]3)C2)cn1 ZINC000257269243 190023959 /nfs/dbraw/zinc/02/39/59/190023959.db2.gz MPEJTEHDYTZTTI-OAHLLOKOSA-N 1 1 287.411 2.704 40 0 CFABMO Cc1cc(C)nc([C@@H]2CC[N@@H+](Cc3nccn3C(C)C)C2)n1 ZINC000257255904 190021307 /nfs/dbraw/zinc/02/13/07/190021307.db2.gz KJJCKNPCFSYZAR-OAHLLOKOSA-N 1 1 299.422 2.860 40 0 CFABMO Cc1cc(C)nc([C@@H]2CC[N@H+](Cc3nccn3C(C)C)C2)n1 ZINC000257255904 190021308 /nfs/dbraw/zinc/02/13/08/190021308.db2.gz KJJCKNPCFSYZAR-OAHLLOKOSA-N 1 1 299.422 2.860 40 0 CFABMO Cc1ncc(-c2cc(C)nc([C@@H]3CCCC[N@@H+]3C)n2)n1C ZINC000257261469 190022475 /nfs/dbraw/zinc/02/24/75/190022475.db2.gz LHLIWNXFNZJXGR-AWEZNQCLSA-N 1 1 285.395 2.651 40 0 CFABMO Cc1ncc(-c2cc(C)nc([C@@H]3CCCC[N@H+]3C)n2)n1C ZINC000257261469 190022476 /nfs/dbraw/zinc/02/24/76/190022476.db2.gz LHLIWNXFNZJXGR-AWEZNQCLSA-N 1 1 285.395 2.651 40 0 CFABMO CNc1cncc([C@H]2CCC[N@@H+]2Cc2ncccc2C)n1 ZINC000257288693 190026671 /nfs/dbraw/zinc/02/66/71/190026671.db2.gz PVFBZVBFSQFKNK-OAHLLOKOSA-N 1 1 283.379 2.559 40 0 CFABMO CNc1cncc([C@H]2CCC[N@H+]2Cc2ncccc2C)n1 ZINC000257288693 190026672 /nfs/dbraw/zinc/02/66/72/190026672.db2.gz PVFBZVBFSQFKNK-OAHLLOKOSA-N 1 1 283.379 2.559 40 0 CFABMO Cc1ncsc1C[N@@H+]1CCC[C@@H]1c1cncc(C)n1 ZINC000257290368 190027557 /nfs/dbraw/zinc/02/75/57/190027557.db2.gz QCRVGXKKRBFQDE-CYBMUJFWSA-N 1 1 274.393 2.887 40 0 CFABMO Cc1ncsc1C[N@H+]1CCC[C@@H]1c1cncc(C)n1 ZINC000257290368 190027558 /nfs/dbraw/zinc/02/75/58/190027558.db2.gz QCRVGXKKRBFQDE-CYBMUJFWSA-N 1 1 274.393 2.887 40 0 CFABMO Cc1cnccc1C[N@@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000257273947 190024489 /nfs/dbraw/zinc/02/44/89/190024489.db2.gz NIXFBXGDHQRELT-MRXNPFEDSA-N 1 1 282.391 2.868 40 0 CFABMO Cc1cn(C)c([C@@H]2C[N@H+](CCCc3ccccc3)CCO2)n1 ZINC000257313913 190031814 /nfs/dbraw/zinc/03/18/14/190031814.db2.gz UURAKCVIRPZDFJ-KRWDZBQOSA-N 1 1 299.418 2.735 40 0 CFABMO Cc1cn(C)c([C@@H]2C[N@@H+](CCCc3ccccc3)CCO2)n1 ZINC000257313913 190031815 /nfs/dbraw/zinc/03/18/15/190031815.db2.gz UURAKCVIRPZDFJ-KRWDZBQOSA-N 1 1 299.418 2.735 40 0 CFABMO Cc1cc(C)nc([C@@H]2CC[N@H+](Cc3ccnn3C(C)C)C2)n1 ZINC000257292936 190027658 /nfs/dbraw/zinc/02/76/58/190027658.db2.gz QNNKBLASCYCQRC-OAHLLOKOSA-N 1 1 299.422 2.860 40 0 CFABMO Cc1c[nH]nc1[C@@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC000257294404 190028495 /nfs/dbraw/zinc/02/84/95/190028495.db2.gz QTZJCIRZJRYNSZ-AWEZNQCLSA-N 1 1 256.353 2.840 40 0 CFABMO Cc1c[nH]nc1[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC000257294404 190028496 /nfs/dbraw/zinc/02/84/96/190028496.db2.gz QTZJCIRZJRYNSZ-AWEZNQCLSA-N 1 1 256.353 2.840 40 0 CFABMO CC(C)[N@H+]1CCC[C@H](Cc2nccnc2-c2ccnn2C)C1 ZINC000257293691 190028621 /nfs/dbraw/zinc/02/86/21/190028621.db2.gz QQSSCJWYLBUGAC-CQSZACIVSA-N 1 1 299.422 2.540 40 0 CFABMO CN(C)c1cc([C@H]2CCC[N@H+](C3CCOCC3)C2)ccn1 ZINC000257303152 190030652 /nfs/dbraw/zinc/03/06/52/190030652.db2.gz SFZSXYACMQQLHE-HNNXBMFYSA-N 1 1 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CO[C@@H]1CC[N@@H+](Cc2ccccn2)[C@H]1Cc1ccccc1 ZINC000096061577 185083380 /nfs/dbraw/zinc/08/33/80/185083380.db2.gz PGXVHXSBXLUDIQ-ZWKOTPCHSA-N 1 1 282.387 2.914 40 0 CFABMO CCC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](CC)[C@@H]2C1 ZINC000096083408 185093179 /nfs/dbraw/zinc/09/31/79/185093179.db2.gz RIUVUINPIUCPPW-SJLPKXTDSA-N 1 1 286.419 2.661 40 0 CFABMO CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1scnc1C)C2 ZINC000096107229 185099788 /nfs/dbraw/zinc/09/97/88/185099788.db2.gz QEDIBVNZYQSMAD-HIFRSBDPSA-N 1 1 296.436 2.612 40 0 CFABMO CO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cccs1)C2 ZINC000096107178 185099977 /nfs/dbraw/zinc/09/99/77/185099977.db2.gz JJUKSHBGSKSHIW-OCCSQVGLSA-N 1 1 267.394 2.518 40 0 CFABMO Nc1cccc(OC[C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000000035444 346204285 /nfs/dbraw/zinc/20/42/85/346204285.db2.gz HDXSSQBGRXLIOW-CZUORRHYSA-N 1 1 260.381 2.912 40 0 CFABMO O[C@H]1C[N@H+]2CC[C@@H]1C/C2=C/c1ccnc2ccccc12 ZINC000008628936 346224958 /nfs/dbraw/zinc/22/49/58/346224958.db2.gz YHQXMUZXDKRFTL-WMBPGHKDSA-N 1 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/nfs/dbraw/zinc/28/76/42/180287642.db2.gz KBESVMDDYUPCFL-JJVOZYGNSA-N 1 1 291.366 2.719 40 0 CFABMO CNC(=O)[C@H]1CCC[C@]12CC[N@@H+](Cc1ccc(C)cc1)C2 ZINC000108524084 186220561 /nfs/dbraw/zinc/22/05/61/186220561.db2.gz WPGVXNURNPHDBQ-SJLPKXTDSA-N 1 1 286.419 2.733 40 0 CFABMO CCC[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=S)NCC(C)C)C2 ZINC000004886734 283356378 /nfs/dbraw/zinc/35/63/78/283356378.db2.gz XBANPIMSGWRGCQ-GOOCMWNKSA-N 1 1 297.512 2.902 40 0 CFABMO COc1ccccc1N1CC[NH+](Cc2ccco2)CC1 ZINC000000265946 371573612 /nfs/dbraw/zinc/57/36/12/371573612.db2.gz XZPPMVVQWVMEEF-UHFFFAOYSA-N 1 1 272.348 2.610 40 0 CFABMO CCOC(=O)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000004343451 371851609 /nfs/dbraw/zinc/85/16/09/371851609.db2.gz XJCLMIPLNVXPDG-ZNMIVQPWSA-N 1 1 259.349 2.775 40 0 CFABMO Cc1[nH]c2c(cccc2C)c1CC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000012183379 371948026 /nfs/dbraw/zinc/94/80/26/371948026.db2.gz CVMQGMMUYDENET-AWEZNQCLSA-N 1 1 299.418 2.538 40 0 CFABMO Nc1cccc(OC[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000017466974 372134129 /nfs/dbraw/zinc/13/41/29/372134129.db2.gz HDXSSQBGRXLIOW-CJNGLKHVSA-N 1 1 260.381 2.912 40 0 CFABMO COc1ccc([C@H](Cc2ccccc2)[NH2+]CCN)cc1 ZINC000019365855 372156742 /nfs/dbraw/zinc/15/67/42/372156742.db2.gz SMTBKEGMUSEVOP-KRWDZBQOSA-N 1 1 270.376 2.527 40 0 CFABMO CCC(=O)N1C[C@H](c2ccc(F)cc2)[C@@H]2[C@H]1CCC[N@H+]2C ZINC000019499181 372169826 /nfs/dbraw/zinc/16/98/26/372169826.db2.gz XBNXTQMANNURMZ-BFYDXBDKSA-N 1 1 290.382 2.624 40 0 CFABMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1CCCc1ccccc1 ZINC000019575050 372176525 /nfs/dbraw/zinc/17/65/25/372176525.db2.gz JGUVTYVSQLFMCM-WBVHZDCISA-N 1 1 258.409 2.788 40 0 CFABMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cc(F)cc(F)c1 ZINC000019575072 372176744 /nfs/dbraw/zinc/17/67/44/372176744.db2.gz HMGJVSIRRKXLRA-IAQYHMDHSA-N 1 1 266.335 2.633 40 0 CFABMO COc1ccc2c(c1)[C@@]13CC[N@@H+](C)[C@@H](C2)[C@@H]1[C@@H](C)CC(=O)C3 ZINC000029477722 372381172 /nfs/dbraw/zinc/38/11/72/372381172.db2.gz FVZCKWRBLLZDHV-TUCQFJRYSA-N 1 1 299.414 2.808 40 0 biogenic,in-vitro CFABMO Fc1ccc2[nH]c([C@H]3CC[N@H+](C4CCOCC4)C3)nc2c1 ZINC000035446613 372550563 /nfs/dbraw/zinc/55/05/63/372550563.db2.gz SQWKLZZHARQSDU-NSHDSACASA-N 1 1 289.354 2.670 40 0 biogenic,in-vitro CFABMO Fc1ccc2nc([C@H]3CC[N@@H+](C4CCOCC4)C3)[nH]c2c1 ZINC000035446613 372550569 /nfs/dbraw/zinc/55/05/69/372550569.db2.gz SQWKLZZHARQSDU-NSHDSACASA-N 1 1 289.354 2.670 40 0 biogenic,in-vitro CFABMO Fc1ccc2nc([C@H]3CC[N@H+](C4CCOCC4)C3)[nH]c2c1 ZINC000035446613 372550575 /nfs/dbraw/zinc/55/05/75/372550575.db2.gz SQWKLZZHARQSDU-NSHDSACASA-N 1 1 289.354 2.670 40 0 biogenic,in-vitro CFABMO Cc1[nH+]ccn1C[C@@H]1CCCN(c2cc(Cl)ncn2)C1 ZINC000038579911 372774693 /nfs/dbraw/zinc/77/46/93/372774693.db2.gz BJADPGJEUCTUBH-LBPRGKRZSA-N 1 1 291.786 2.552 40 0 CFABMO Cc1[nH+]ccn1C[C@H]1CCCN(c2ccnc(Cl)n2)C1 ZINC000038579624 372776205 /nfs/dbraw/zinc/77/62/05/372776205.db2.gz ZBMJJYNANFYPNK-GFCCVEGCSA-N 1 1 291.786 2.552 40 0 CFABMO C[NH+]1CCN(C(=O)c2cccc3c(Cl)cccc23)CC1 ZINC000041127271 372819678 /nfs/dbraw/zinc/81/96/78/372819678.db2.gz GIODEOULQVQPQP-UHFFFAOYSA-N 1 1 288.778 2.881 40 0 CFABMO C[C@@H]1CCC[N@@H+](CCCNC(=O)Cc2ccccc2F)C1 ZINC000046967376 373073025 /nfs/dbraw/zinc/07/30/25/373073025.db2.gz MAEYZJDNOZYXKL-CQSZACIVSA-N 1 1 292.398 2.606 40 0 CFABMO CC(C)C[N@H+]1CC[C@H](c2nnc(-c3cccnc3)o2)C1 ZINC000049169678 373273155 /nfs/dbraw/zinc/27/31/55/373273155.db2.gz LTFKVYDJCXYWKJ-ZDUSSCGKSA-N 1 1 272.352 2.577 40 0 biogenic,in-vitro CFABMO c1csc([C@@H]2C[N@@H+](Cc3ccccc3)CCN2)c1 ZINC000056894912 373574538 /nfs/dbraw/zinc/57/45/38/373574538.db2.gz BBZZPAYGUJCNOB-AWEZNQCLSA-N 1 1 258.390 2.895 40 0 CFABMO c1csc([C@@H]2CN(Cc3ccccc3)CC[NH2+]2)c1 ZINC000056894912 373574543 /nfs/dbraw/zinc/57/45/43/373574543.db2.gz BBZZPAYGUJCNOB-AWEZNQCLSA-N 1 1 258.390 2.895 40 0 CFABMO C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000082325077 374735478 /nfs/dbraw/zinc/73/54/78/374735478.db2.gz GNZZSTFNVYIZFT-SECBINFHSA-N 1 1 270.735 2.759 40 0 CFABMO C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2Br)C1 ZINC000082335785 374737449 /nfs/dbraw/zinc/73/74/49/374737449.db2.gz ATRJKBLUSWHVIT-SNVBAGLBSA-N 1 1 297.196 2.729 40 0 CFABMO Cc1cc(-c2noc(C[NH3+])n2)cc(C)c1OC(C)C ZINC000095095338 375412777 /nfs/dbraw/zinc/41/27/77/375412777.db2.gz PYGOWKVTXYNSMN-UHFFFAOYSA-N 1 1 261.325 2.599 40 0 CFABMO CCOC[C@H]1CC2(CO1)CC[NH+](Cc1nccs1)CC2 ZINC000096207956 375477291 /nfs/dbraw/zinc/47/72/91/375477291.db2.gz KUIYBEUNOVAOIA-CYBMUJFWSA-N 1 1 296.436 2.551 40 0 CFABMO c1cc(C[N@@H+]2CC[C@]3(C[C@@H](OCC4CCC4)CO3)C2)co1 ZINC000096206013 375478044 /nfs/dbraw/zinc/47/80/44/375478044.db2.gz ZZGYMWVPDJSBDT-SJORKVTESA-N 1 1 291.391 2.830 40 0 CFABMO CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1csc(C)n1)C2 ZINC000096223543 375478972 /nfs/dbraw/zinc/47/89/72/375478972.db2.gz XTHFRRMUDPUMRO-GJZGRUSLSA-N 1 1 296.436 2.612 40 0 CFABMO CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1csc(C)n1)C2 ZINC000096223543 375478981 /nfs/dbraw/zinc/47/89/81/375478981.db2.gz XTHFRRMUDPUMRO-GJZGRUSLSA-N 1 1 296.436 2.612 40 0 CFABMO O=C(c1ccoc1)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC000096227896 375479355 /nfs/dbraw/zinc/47/93/55/375479355.db2.gz KSDQKWOPMHLCKD-UHFFFAOYSA-N 1 1 288.391 2.760 40 0 CFABMO c1cnc(N2CCC3(CCC[N@H+](CC4CC4)C3)CC2)nc1 ZINC000096217541 375479987 /nfs/dbraw/zinc/47/99/87/375479987.db2.gz HWHCPLZIOUMILC-UHFFFAOYSA-N 1 1 286.423 2.569 40 0 CFABMO Cc1cccc(C[N@H+]2CCC[C@@]3(CCN(CCF)C3)C2)n1 ZINC000096216240 375480317 /nfs/dbraw/zinc/48/03/17/375480317.db2.gz XIYQRFOJOZVEOT-KRWDZBQOSA-N 1 1 291.414 2.647 40 0 CFABMO Cc1cccc(CN2CCC[C@@]3(CC[N@H+](CCF)C3)C2)n1 ZINC000096216240 375480326 /nfs/dbraw/zinc/48/03/26/375480326.db2.gz XIYQRFOJOZVEOT-KRWDZBQOSA-N 1 1 291.414 2.647 40 0 CFABMO Cc1cccc(CN2CCC[C@@]3(CC[N@@H+](CCF)C3)C2)n1 ZINC000096216240 375480335 /nfs/dbraw/zinc/48/03/35/375480335.db2.gz XIYQRFOJOZVEOT-KRWDZBQOSA-N 1 1 291.414 2.647 40 0 CFABMO Cc1cccc(C(=O)N2C[C@@H]3CC[N@H+](C(C)C)C[C@@H]3C2)c1 ZINC000096246087 375481488 /nfs/dbraw/zinc/48/14/88/375481488.db2.gz LVOVHOLAPXJRCF-DLBZAZTESA-N 1 1 286.419 2.797 40 0 CFABMO FC(F)n1nccc1C[NH2+]Cc1cnn(C2CCCC2)c1 ZINC000256053670 190005040 /nfs/dbraw/zinc/00/50/40/190005040.db2.gz SINXUPIMMNRHPL-UHFFFAOYSA-N 1 1 295.337 2.880 40 0 CFABMO Cn1nc(C(F)(F)F)cc1C[NH2+]Cc1ccc(F)s1 ZINC000256055016 190005324 /nfs/dbraw/zinc/00/53/24/190005324.db2.gz YUTSWDJIXKMBIB-UHFFFAOYSA-N 1 1 293.289 2.929 40 0 CFABMO COc1cccc(C[NH2+]Cc2ccn(CC(C)C)n2)c1 ZINC000256052032 190003810 /nfs/dbraw/zinc/00/38/10/190003810.db2.gz LQHMZEKTJZLINM-UHFFFAOYSA-N 1 1 273.380 2.838 40 0 CFABMO CC[C@@H](C)n1nccc1C[NH2+]Cc1cnn(CC(C)C)c1 ZINC000256051837 190003941 /nfs/dbraw/zinc/00/39/41/190003941.db2.gz KRPXOJPAHXLXJE-CQSZACIVSA-N 1 1 289.427 2.996 40 0 CFABMO Fc1cccc(C[NH2+]Cc2ccn(C(F)F)n2)c1 ZINC000256052990 190004149 /nfs/dbraw/zinc/00/41/49/190004149.db2.gz POMGPUCJGQROAQ-UHFFFAOYSA-N 1 1 255.243 2.707 40 0 CFABMO CC(C)[N@H+]1CCC[C@@H](Cc2nccnc2-c2nccn2C)C1 ZINC000257210380 190012057 /nfs/dbraw/zinc/01/20/57/190012057.db2.gz BUKGPRRVOMZBCH-AWEZNQCLSA-N 1 1 299.422 2.540 40 0 CFABMO c1ccc(C[N@H+]2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000257253447 190020532 /nfs/dbraw/zinc/02/05/32/190020532.db2.gz JYYONUDUALXNEX-OAHLLOKOSA-N 1 1 253.349 2.856 40 0 CFABMO CC(=O)NCc1cccc([C@H]2CCC[N@H+]2CC2CCC2)n1 ZINC000257238104 190018044 /nfs/dbraw/zinc/01/80/44/190018044.db2.gz HJPVFLMKYXXGHJ-QGZVFWFLSA-N 1 1 287.407 2.655 40 0 CFABMO CC(C)n1nccc1C[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000257243361 190018454 /nfs/dbraw/zinc/01/84/54/190018454.db2.gz IGPBAIBQMQDIHM-CQSZACIVSA-N 1 1 285.395 2.634 40 0 CFABMO Cc1n[nH]cc1-c1cnc([C@H]2CCC[N@H+](C(C)C)C2)cn1 ZINC000257251943 190019791 /nfs/dbraw/zinc/01/97/91/190019791.db2.gz JSXZUVQHSMZDKW-ZDUSSCGKSA-N 1 1 285.395 2.763 40 0 CFABMO Cc1ncc(C[N@H+]2CCC[C@H]2c2ccnc(N(C)C)c2)cn1 ZINC000257268935 190023880 /nfs/dbraw/zinc/02/38/80/190023880.db2.gz MNWNCODQAHXREK-INIZCTEOSA-N 1 1 297.406 2.583 40 0 CFABMO Cc1ncc(C[N@@H+]2CCC[C@H]2c2ccnc(N(C)C)c2)cn1 ZINC000257268935 190023881 /nfs/dbraw/zinc/02/38/81/190023881.db2.gz MNWNCODQAHXREK-INIZCTEOSA-N 1 1 297.406 2.583 40 0 CFABMO Cc1cccnc1C[N@@H+]1CCN(C)[C@H](c2ccccc2)C1 ZINC000257300806 190028989 /nfs/dbraw/zinc/02/89/89/190028989.db2.gz RVSWXXOCZFCNOX-SFHVURJKSA-N 1 1 281.403 2.879 40 0 CFABMO Cc1cccnc1CN1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000257300806 190028991 /nfs/dbraw/zinc/02/89/91/190028991.db2.gz RVSWXXOCZFCNOX-SFHVURJKSA-N 1 1 281.403 2.879 40 0 CFABMO Cc1cn(C)c([C@H]2C[N@H+](CCCc3ccccc3)CCO2)n1 ZINC000257313914 190031954 /nfs/dbraw/zinc/03/19/54/190031954.db2.gz UURAKCVIRPZDFJ-QGZVFWFLSA-N 1 1 299.418 2.735 40 0 CFABMO Cc1cn(C)c([C@H]2C[N@@H+](CCCc3ccccc3)CCO2)n1 ZINC000257313914 190031955 /nfs/dbraw/zinc/03/19/55/190031955.db2.gz UURAKCVIRPZDFJ-QGZVFWFLSA-N 1 1 299.418 2.735 40 0 CFABMO Cc1c[nH]c([C@@H]2CCC[N@H+](Cc3ccnn3C(C)C)C2)n1 ZINC000257315701 190032703 /nfs/dbraw/zinc/03/27/03/190032703.db2.gz VCLQDCNLQORPCV-CQSZACIVSA-N 1 1 287.411 2.875 40 0 CFABMO Cc1nccc(C[N@H+]2CCC[C@H]2c2ccnc(N(C)C)c2)n1 ZINC000257333519 190035766 /nfs/dbraw/zinc/03/57/66/190035766.db2.gz YBXGDEZRCLOLSO-INIZCTEOSA-N 1 1 297.406 2.583 40 0 CFABMO Cc1nccc(C[N@@H+]2CCC[C@H]2c2ccnc(N(C)C)c2)n1 ZINC000257333519 190035767 /nfs/dbraw/zinc/03/57/67/190035767.db2.gz YBXGDEZRCLOLSO-INIZCTEOSA-N 1 1 297.406 2.583 40 0 CFABMO c1cn2cnc([C@H]3CC[N@H+](Cc4cncs4)C3)c2s1 ZINC000257330956 190035820 /nfs/dbraw/zinc/03/58/20/190035820.db2.gz XQTJUZSFKBUKQV-JTQLQIEISA-N 1 1 290.417 2.842 40 0 CFABMO CN(C)c1cc([C@@H]2CCC[N@@H+](Cc3ccncc3)C2)ccn1 ZINC000257336231 190036392 /nfs/dbraw/zinc/03/63/92/190036392.db2.gz YNPLMHUMYMLXTK-QGZVFWFLSA-N 1 1 296.418 2.922 40 0 CFABMO Cc1nc(CN2CC[C@@H]3[C@H]2CC[N@@H+]3CC(C)C)cs1 ZINC000306125803 382452330 /nfs/dbraw/zinc/45/23/30/382452330.db2.gz DCUUCSAEYIKSSC-HUUCEWRRSA-N 1 1 279.453 2.756 40 0 CFABMO N[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1OCc1ccccc1 ZINC000218885913 382791265 /nfs/dbraw/zinc/79/12/65/382791265.db2.gz BQZDRKHCINCMRB-TVFCKZIOSA-N 1 1 288.435 2.984 40 0 CFABMO COc1ccc(C)c2c(NCCC[NH3+])cc(C)nc12 ZINC000222691648 382803391 /nfs/dbraw/zinc/80/33/91/382803391.db2.gz NZIBIHLQGUNXTA-UHFFFAOYSA-N 1 1 259.353 2.621 40 0 CFABMO [NH3+]CCSc1nc(-c2ccc(Cl)cc2Cl)n[nH]1 ZINC000224978835 382812504 /nfs/dbraw/zinc/81/25/04/382812504.db2.gz GAWSWOJFYGHLTE-UHFFFAOYSA-N 1 1 289.191 2.829 40 0 CFABMO Cc1ccc(C[N@H+](C)[C@@H]2CCCN(c3ccccn3)C2)cn1 ZINC000257259909 383494618 /nfs/dbraw/zinc/49/46/18/383494618.db2.gz LAQAGBCTFFFWSE-QGZVFWFLSA-N 1 1 296.418 2.886 40 0 CFABMO Cc1ncc(-c2nccnc2[C@H]2CCC[N@H+](C(C)C)C2)n1C ZINC000257298571 383495322 /nfs/dbraw/zinc/49/53/22/383495322.db2.gz RMIBPNNTSWYKLT-AWEZNQCLSA-N 1 1 299.422 2.773 40 0 CFABMO CC(C)(C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038832326 393538939 /nfs/dbraw/zinc/53/89/39/393538939.db2.gz YWSXBENQSIQFNS-HNNXBMFYSA-N 1 1 274.408 2.813 40 0 CFABMO CC(C)[N@H+]1CCCC[C@H]1c1ccc(N2CCOCC2)nc1 ZINC000072216183 393644939 /nfs/dbraw/zinc/64/49/39/393644939.db2.gz AHKZVUHZUXFBLF-INIZCTEOSA-N 1 1 289.423 2.854 40 0 CFABMO CCC[N@H+]1CCC[C@@H]1c1cnc(N2CCOCC2)cc1C ZINC000072219401 393646464 /nfs/dbraw/zinc/64/64/64/393646464.db2.gz WBEOBEAUUPXNGL-MRXNPFEDSA-N 1 1 289.423 2.774 40 0 CFABMO [NH3+][C@@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000072227234 393646978 /nfs/dbraw/zinc/64/69/78/393646978.db2.gz BCPDJFAYNLGVGA-UONOGXRCSA-N 1 1 290.725 2.894 40 0 CFABMO [NH3+][C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000072227240 393647537 /nfs/dbraw/zinc/64/75/37/393647537.db2.gz PFHHMWVHICKURW-ZIAGYGMSSA-N 1 1 290.725 2.894 40 0 CFABMO [NH3+][C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000072227236 393647725 /nfs/dbraw/zinc/64/77/25/393647725.db2.gz BCPDJFAYNLGVGA-ZIAGYGMSSA-N 1 1 290.725 2.894 40 0 CFABMO CCc1ccc([C@H]2[C@@H]([NH3+])C(=O)N2c2cccc(OC)c2)cc1 ZINC000072227765 393648432 /nfs/dbraw/zinc/64/84/32/393648432.db2.gz ZWQWVPJORRWVLU-SJORKVTESA-N 1 1 296.370 2.673 40 0 CFABMO [NH3+][C@@H]1C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000072227942 393648450 /nfs/dbraw/zinc/64/84/50/393648450.db2.gz QCIWLGXARLDIBR-UONOGXRCSA-N 1 1 272.735 2.755 40 0 CFABMO COc1ccc([C@@H]2[C@H]([NH3+])C(=O)N2c2ccc(C)c(C)c2)cc1 ZINC000072227834 393648800 /nfs/dbraw/zinc/64/88/00/393648800.db2.gz KFQGHAWTIHNPBN-DLBZAZTESA-N 1 1 296.370 2.727 40 0 CFABMO CCc1ccc([C@@H]2[C@@H]([NH3+])C(=O)N2Cc2ccccc2)cc1 ZINC000072228168 393650368 /nfs/dbraw/zinc/65/03/68/393650368.db2.gz NQPHOLVDESXGQA-IAGOWNOFSA-N 1 1 280.371 2.660 40 0 CFABMO Cc1ccc([C@H]([NH3+])c2nnc(-c3ccc(F)cc3)[nH]2)cc1 ZINC000095534066 393813064 /nfs/dbraw/zinc/81/30/64/393813064.db2.gz NDWIXLRDUBYLKE-AWEZNQCLSA-N 1 1 282.322 2.967 40 0 CFABMO Cc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3c2ncc(C)cn2)o1 ZINC000096038570 393814547 /nfs/dbraw/zinc/81/45/47/393814547.db2.gz IZMZZAPECJEEMO-HOTGVXAUSA-N 1 1 298.390 2.540 40 0 CFABMO CCOCC[C@@H]1Cn2cccc2C[N@H+](C2CCC2)C1 ZINC000585095598 395100081 /nfs/dbraw/zinc/10/00/81/395100081.db2.gz ZPILDNFUOMWSLP-CQSZACIVSA-N 1 1 262.397 2.899 40 0 CFABMO O=C(Nc1ccccc1)c1conc1[C@@H]1CCCC[NH2+]1 ZINC000072208440 397590572 /nfs/dbraw/zinc/59/05/72/397590572.db2.gz XQLKTSXRSSTYRS-ZDUSSCGKSA-N 1 1 271.320 2.742 40 0 CFABMO O=C(Nc1ccccc1)c1conc1[C@H]1CCCC[NH2+]1 ZINC000072208441 397590619 /nfs/dbraw/zinc/59/06/19/397590619.db2.gz XQLKTSXRSSTYRS-CYBMUJFWSA-N 1 1 271.320 2.742 40 0 CFABMO Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CC[N@H+](CC1CC1)C2 ZINC000225488157 292336043 /nfs/dbraw/zinc/33/60/43/292336043.db2.gz HUFBEKVAIYBZDF-HNNXBMFYSA-N 1 1 286.375 2.936 40 0 biogenic,in-vitro CFABMO O=C(C[NH+]1CCCC1)Nc1cccc(OC(F)(F)F)c1 ZINC000004968573 170046796 /nfs/dbraw/zinc/04/67/96/170046796.db2.gz NWIOUXBWBXGNHM-UHFFFAOYSA-N 1 1 288.269 2.620 40 0 CFABMO Cc1cccc(NC(=S)NC[C@H]2CCC[N@H+](C)C2)c1 ZINC000009876124 170388558 /nfs/dbraw/zinc/38/85/58/170388558.db2.gz BZJXWFILOYBWAF-CYBMUJFWSA-N 1 1 277.437 2.623 40 0 CFABMO COc1ccc2[nH]c([C@H]3CC[N@@H+](CC4CC4)C3)nc2c1 ZINC000035446816 172202856 /nfs/dbraw/zinc/20/28/56/172202856.db2.gz RLTHDSHIECSVKT-LBPRGKRZSA-N 1 1 271.364 2.771 40 0 biogenic,in-vitro CFABMO COc1ccc2nc([C@H]3CC[N@H+](CC4CC4)C3)[nH]c2c1 ZINC000035446816 172202858 /nfs/dbraw/zinc/20/28/58/172202858.db2.gz RLTHDSHIECSVKT-LBPRGKRZSA-N 1 1 271.364 2.771 40 0 biogenic,in-vitro CFABMO COc1ccc2nc([C@H]3CC[N@@H+](CC4CC4)C3)[nH]c2c1 ZINC000035446816 172202861 /nfs/dbraw/zinc/20/28/61/172202861.db2.gz RLTHDSHIECSVKT-LBPRGKRZSA-N 1 1 271.364 2.771 40 0 biogenic,in-vitro CFABMO CCOc1ccc([C@@H](CN)[NH+]2CCC(C)CC2)cc1 ZINC000038827575 174156240 /nfs/dbraw/zinc/15/62/40/174156240.db2.gz MUXBGKIJXFENMZ-MRXNPFEDSA-N 1 1 262.397 2.817 40 0 CFABMO CC(C)(C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038832325 174156976 /nfs/dbraw/zinc/15/69/76/174156976.db2.gz YWSXBENQSIQFNS-OAHLLOKOSA-N 1 1 274.408 2.813 40 0 CFABMO CC(C)(C)OC(=O)[C@H]([NH3+])Cc1cccc(C(F)(F)F)c1 ZINC000071241856 176094225 /nfs/dbraw/zinc/09/42/25/176094225.db2.gz JRQXQWKHJMNYRS-LLVKDONJSA-N 1 1 289.297 2.917 40 0 CFABMO CCc1nccn1-c1cncc([C@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000072355531 176374776 /nfs/dbraw/zinc/37/47/76/176374776.db2.gz YBNNBJFEKAMTQC-AWEZNQCLSA-N 1 1 299.422 2.813 40 0 CFABMO Cc1nc(Nc2nccs2)cc([C@@H]2CCC[N@@H+]2C)n1 ZINC000072360115 176377104 /nfs/dbraw/zinc/37/71/04/176377104.db2.gz HPZBMMGVXLWMBI-NSHDSACASA-N 1 1 275.381 2.752 40 0 CFABMO c1cc(C[N@H+]2CCC[C@H](c3cnccn3)C2)cs1 ZINC000072369368 176384394 /nfs/dbraw/zinc/38/43/94/176384394.db2.gz XESIHCYDBXUAQB-ZDUSSCGKSA-N 1 1 259.378 2.918 40 0 CFABMO c1csc(C[C@H]2CC[N@@H+](Cc3ccccn3)C2)n1 ZINC000072381596 176387631 /nfs/dbraw/zinc/38/76/31/176387631.db2.gz NWDUODCQMOEIEX-GFCCVEGCSA-N 1 1 259.378 2.603 40 0 CFABMO CNc1cncc([C@@H]2CCC[N@@H+]2Cc2ccccc2OC)n1 ZINC000072385083 176389436 /nfs/dbraw/zinc/38/94/36/176389436.db2.gz QFTYLKJFQCRZHL-HNNXBMFYSA-N 1 1 298.390 2.864 40 0 CFABMO CNc1cncc([C@@H]2CCC[N@H+]2Cc2ccccc2OC)n1 ZINC000072385083 176389437 /nfs/dbraw/zinc/38/94/37/176389437.db2.gz QFTYLKJFQCRZHL-HNNXBMFYSA-N 1 1 298.390 2.864 40 0 CFABMO Cc1cncc([C@@H]2CCC[N@@H+](Cc3ccncc3)C2)n1 ZINC000072385023 176389509 /nfs/dbraw/zinc/38/95/09/176389509.db2.gz YTQOOMBGGXOPPO-OAHLLOKOSA-N 1 1 268.364 2.560 40 0 CFABMO Cc1c[nH]nc1[C@H]1CC[N@H+](Cc2nc3ccccc3n2C)C1 ZINC000072385298 176389947 /nfs/dbraw/zinc/38/99/47/176389947.db2.gz ONQDJEVMIVSMMR-ZDUSSCGKSA-N 1 1 295.390 2.594 40 0 CFABMO Fc1cccc(C[N@H+]2CCC[C@H](c3cnccn3)C2)c1 ZINC000072385353 176389961 /nfs/dbraw/zinc/38/99/61/176389961.db2.gz RDZQHGQUPUKDDD-AWEZNQCLSA-N 1 1 271.339 2.995 40 0 CFABMO Cn1cc(C[N@H+]2CC[C@@H](c3cc[nH]n3)C2)c2ccccc21 ZINC000072386181 176390844 /nfs/dbraw/zinc/39/08/44/176390844.db2.gz CIZSPDJWRMJPGN-CYBMUJFWSA-N 1 1 280.375 2.891 40 0 CFABMO Cn1cc(C[N@@H+]2CC[C@@H](c3ccn[nH]3)C2)c2ccccc21 ZINC000072386181 176390846 /nfs/dbraw/zinc/39/08/46/176390846.db2.gz CIZSPDJWRMJPGN-CYBMUJFWSA-N 1 1 280.375 2.891 40 0 CFABMO Cn1cc(C[N@H+]2CC[C@@H](c3ccn[nH]3)C2)c2ccccc21 ZINC000072386181 176390847 /nfs/dbraw/zinc/39/08/47/176390847.db2.gz CIZSPDJWRMJPGN-CYBMUJFWSA-N 1 1 280.375 2.891 40 0 CFABMO Cc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2csc(C)n2)C1 ZINC000072386116 176391062 /nfs/dbraw/zinc/39/10/62/176391062.db2.gz SUYXORCEZHELSB-GFCCVEGCSA-N 1 1 276.409 2.863 40 0 CFABMO Cc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2csc(C)n2)C1 ZINC000072386116 176391063 /nfs/dbraw/zinc/39/10/63/176391063.db2.gz SUYXORCEZHELSB-GFCCVEGCSA-N 1 1 276.409 2.863 40 0 CFABMO Cc1c[nH]nc1[C@@]1(C)CCC[N@@H+](Cc2cccnc2)C1 ZINC000072388726 176393772 /nfs/dbraw/zinc/39/37/72/176393772.db2.gz ZHWULGCUEDKVID-INIZCTEOSA-N 1 1 270.380 2.667 40 0 CFABMO Cc1[nH+]cc(CN2CCn3cccc3[C@@H]2C(C)C)n1C ZINC000072397949 176395401 /nfs/dbraw/zinc/39/54/01/176395401.db2.gz CTYXSBNPJUOHJX-INIZCTEOSA-N 1 1 272.396 2.743 40 0 CFABMO COc1ccc2[nH]c(C[N@H+]3CCC[C@H](CO)C3)c(C)c2c1 ZINC000072397810 176395443 /nfs/dbraw/zinc/39/54/43/176395443.db2.gz KKXAXFFGYJHZDY-ZDUSSCGKSA-N 1 1 288.391 2.689 40 0 CFABMO CN1[C@H](c2ccccc2)CC(=O)[C@H]([NH3+])[C@@H]1c1ccccc1 ZINC000022859186 277215417 /nfs/dbraw/zinc/21/54/17/277215417.db2.gz HPNXAOJGCPUSLE-SZMVWBNQSA-N 1 1 280.371 2.701 40 0 CFABMO COc1ccc2c(c1O)[C@@]13CC=CC=C1[C@@H](C2)[N@@H+](C)CC3 ZINC000038637538 295277678 /nfs/dbraw/zinc/27/76/78/295277678.db2.gz ONYKSPDQQPOMEU-RDTXWAMCSA-N 1 1 283.371 2.785 40 0 biogenic,in-vitro CFABMO Cn1cccc1C[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000092788968 327195327 /nfs/dbraw/zinc/19/53/27/327195327.db2.gz KXIUVAFPFMPGDI-GFCCVEGCSA-N 1 1 261.394 2.861 40 0 CFABMO C[C@]1(CO)C[N@@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC000228905402 525274867 /nfs/dbraw/zinc/27/48/67/525274867.db2.gz NEPDTEDKCCEHIC-QWHCGFSZSA-N 1 1 273.298 2.679 40 0 CFABMO [NH3+][C@H](Cc1ccccc1)c1nc(-c2ccc(F)cc2)n[nH]1 ZINC000095534819 185008702 /nfs/dbraw/zinc/00/87/02/185008702.db2.gz XFMIYJLMQSWBML-CQSZACIVSA-N 1 1 282.322 2.853 40 0 CFABMO CCn1ncc2c1C[N@H+](Cc1cccs1)C[C@@H]2COC ZINC000096044561 185071620 /nfs/dbraw/zinc/07/16/20/185071620.db2.gz WVLDYLQGFLJGGC-GFCCVEGCSA-N 1 1 291.420 2.710 40 0 CFABMO CCn1ncc2c1C[N@@H+](Cc1cccs1)C[C@@H]2COC ZINC000096044561 185071621 /nfs/dbraw/zinc/07/16/21/185071621.db2.gz WVLDYLQGFLJGGC-GFCCVEGCSA-N 1 1 291.420 2.710 40 0 CFABMO Cn1ncc2c1C[N@H+](C1CCCC1)C[C@@H]2COCC1CC1 ZINC000096044661 185071766 /nfs/dbraw/zinc/07/17/66/185071766.db2.gz XFWYOMVPAVMLLK-CQSZACIVSA-N 1 1 289.423 2.689 40 0 CFABMO CCOCc1ncn2c1C[N@H+](Cc1cccs1)CCC2 ZINC000096058985 185079463 /nfs/dbraw/zinc/07/94/63/185079463.db2.gz NTLRTRUXHFGKBZ-UHFFFAOYSA-N 1 1 291.420 2.887 40 0 CFABMO CCOCc1ncn2c1C[N@@H+](Cc1cccs1)CCC2 ZINC000096058985 185079464 /nfs/dbraw/zinc/07/94/64/185079464.db2.gz NTLRTRUXHFGKBZ-UHFFFAOYSA-N 1 1 291.420 2.887 40 0 CFABMO CCn1cc2c(n1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC000096060436 185081530 /nfs/dbraw/zinc/08/15/30/185081530.db2.gz WCKTXCKUECPZJM-OAHLLOKOSA-N 1 1 289.423 2.639 40 0 CFABMO Cc1ccc(C[N@H+]2CC[C@H](O)[C@@H]2Cc2cccnc2)s1 ZINC000096061634 185082692 /nfs/dbraw/zinc/08/26/92/185082692.db2.gz QXOFXMXMJWGOIO-HOTGVXAUSA-N 1 1 288.416 2.629 40 0 CFABMO COc1ccc(C[N@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)cc1 ZINC000096061561 185083091 /nfs/dbraw/zinc/08/30/91/185083091.db2.gz XSSHCQUPRZUNLI-RBUKOAKNSA-N 1 1 297.398 2.873 40 0 CFABMO c1ccc(CO[C@@H]2CO[C@]3(CC[N@@H+](CC4CC4)C3)C2)cc1 ZINC000096072379 185087884 /nfs/dbraw/zinc/08/78/84/185087884.db2.gz HYELJXGNOUSMAT-ZWKOTPCHSA-N 1 1 287.403 2.847 40 0 CFABMO CC[N@H+]1CC[C@@]12CCN(C(=O)c1cnc3ccccc3c1)C2 ZINC000096075911 185088920 /nfs/dbraw/zinc/08/89/20/185088920.db2.gz FCHXYHNPZGSQQL-GOSISDBHSA-N 1 1 295.386 2.545 40 0 CFABMO CCOC[C@@H]1C[N@@H+](CCc2ccccc2)Cc2c1cnn2C ZINC000096089252 185094204 /nfs/dbraw/zinc/09/42/04/185094204.db2.gz CIPJYCLBUWHYLT-INIZCTEOSA-N 1 1 299.418 2.599 40 0 CFABMO COC[C@@]12CCO[C@@H]1CC[N@@H+](Cc1sccc1C)C2 ZINC000096110331 185101355 /nfs/dbraw/zinc/10/13/55/185101355.db2.gz HSOIYSIZFLLJNV-CABCVRRESA-N 1 1 281.421 2.684 40 0 CFABMO CCc1[nH+]ccn1CCCNC(=O)c1ccc(C)cc1 ZINC000010356905 346227716 /nfs/dbraw/zinc/22/77/16/346227716.db2.gz NUPNWNSEYWWNGQ-UHFFFAOYSA-N 1 1 271.364 2.574 40 0 CFABMO Cc1n[nH]c(C)c1C[N@H+]1CCC[C@H](O)[C@@H]1Cc1ccccc1 ZINC000585275853 348738574 /nfs/dbraw/zinc/73/85/74/348738574.db2.gz FXJWRUHCSJZJCP-ROUUACIJSA-N 1 1 299.418 2.595 40 0 CFABMO Cc1ccc(C(=O)N2CCC[C@@]3(CC[N@@H+]3C)C2)c(C)c1 ZINC000585102378 348734648 /nfs/dbraw/zinc/73/46/48/348734648.db2.gz YPRZPJTVLCJTST-QGZVFWFLSA-N 1 1 272.392 2.614 40 0 CFABMO O=C1[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2CN1c1ccccc1 ZINC000107742839 186189060 /nfs/dbraw/zinc/18/90/60/186189060.db2.gz UDGWCHVTEADHMY-CZUORRHYSA-N 1 1 298.411 2.843 40 0 CFABMO CCOC(=O)[C@]1(c2ccccc2)CCC[N@@H+](C)CC1 ZINC000000000268 371508328 /nfs/dbraw/zinc/50/83/28/371508328.db2.gz WGJHHMKQBWSQIY-MRXNPFEDSA-N 1 1 261.365 2.603 40 0 in-man CFABMO CC(=O)O[C@H]1CC[N@H+](CCc2ccccc2)[C@H](C)[C@H]1C ZINC000000111488 371532999 /nfs/dbraw/zinc/53/29/99/371532999.db2.gz YNNDIBSJMPQCKB-CPUCHLNUSA-N 1 1 275.392 2.891 40 0 CFABMO COc1ccc(C[N@@H+](C)CCc2ccc(O)cc2)cc1O ZINC000001719378 371701494 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ZINC000072218447 393645255 /nfs/dbraw/zinc/64/52/55/393645255.db2.gz ZDENUNFCKJEXRG-HNNXBMFYSA-N 1 1 281.359 2.950 40 0 CFABMO CC(=O)N1CCC[C@@H]1c1c[nH+]c(N2CCCC2)cc1C ZINC000072218854 393646633 /nfs/dbraw/zinc/64/66/33/393646633.db2.gz OELHARWNJKQMHO-OAHLLOKOSA-N 1 1 273.380 2.674 40 0 CFABMO [NH3+][C@H]1C(=O)N(c2ccc(F)cc2)[C@H]1c1cccc(Cl)c1 ZINC000072227237 393647394 /nfs/dbraw/zinc/64/73/94/393647394.db2.gz BCPDJFAYNLGVGA-KGLIPLIRSA-N 1 1 290.725 2.894 40 0 CFABMO [NH3+][C@@H]1C(=O)N(c2ccc(F)cc2)[C@H]1c1cccc(Cl)c1 ZINC000072227235 393647486 /nfs/dbraw/zinc/64/74/86/393647486.db2.gz BCPDJFAYNLGVGA-KBPBESRZSA-N 1 1 290.725 2.894 40 0 CFABMO Cc1ccc([C@@H]2[C@@H]([NH3+])C(=O)N2c2cccc(C)c2)cc1 ZINC000072227404 393648887 /nfs/dbraw/zinc/64/88/87/393648887.db2.gz VCHVVLXMMSMAQN-HZPDHXFCSA-N 1 1 266.344 2.719 40 0 CFABMO CCc1ccc(N2C(=O)[C@@H]([NH3+])[C@@H]2c2ccc(OC)cc2)cc1 ZINC000072228003 393648985 /nfs/dbraw/zinc/64/89/85/393648985.db2.gz CFNVMOXSQPVBGM-IRXDYDNUSA-N 1 1 296.370 2.673 40 0 CFABMO CCOc1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1 ZINC000072324620 393649955 /nfs/dbraw/zinc/64/99/55/393649955.db2.gz KMWWJLGVBJSXFB-ZBFHGGJFSA-N 1 1 274.408 2.754 40 0 CFABMO CC(C)[N@H+]1CC[C@]2(c3ccccc3)CCN(C)[C@H]2C1 ZINC000107260277 393869728 /nfs/dbraw/zinc/86/97/28/393869728.db2.gz QAUBHKPALPHLRH-IRXDYDNUSA-N 1 1 258.409 2.743 40 0 CFABMO CC(C)N1CC[C@]2(c3ccccc3)CC[N@H+](C)[C@H]2C1 ZINC000107260277 393869735 /nfs/dbraw/zinc/86/97/35/393869735.db2.gz QAUBHKPALPHLRH-IRXDYDNUSA-N 1 1 258.409 2.743 40 0 CFABMO CC(C)N1CC[C@]2(c3ccccc3)CC[N@@H+](C)[C@H]2C1 ZINC000107260277 393869741 /nfs/dbraw/zinc/86/97/41/393869741.db2.gz QAUBHKPALPHLRH-IRXDYDNUSA-N 1 1 258.409 2.743 40 0 CFABMO CC[NH+]1CCN(c2cc3sc(N)nc3cc2Cl)CC1 ZINC000057332261 134438988 /nfs/dbraw/zinc/43/89/88/134438988.db2.gz NVMYOEBKRPWWEM-UHFFFAOYSA-N 1 1 296.827 2.674 40 0 CFABMO COCC[C@H]1Cn2cccc2C[N@H+](Cc2cccnc2)C1 ZINC000585094636 395100234 /nfs/dbraw/zinc/10/02/34/395100234.db2.gz AUODDEAGEXHJBP-MRXNPFEDSA-N 1 1 285.391 2.552 40 0 CFABMO COCC[C@H]1Cn2cccc2C[N@@H+](Cc2cccnc2)C1 ZINC000585094636 395100236 /nfs/dbraw/zinc/10/02/36/395100236.db2.gz AUODDEAGEXHJBP-MRXNPFEDSA-N 1 1 285.391 2.552 40 0 CFABMO Cc1ccc([C@@H]2[C@H]([NH3+])C(=O)N2c2ccc(C)cc2)cc1 ZINC000061711283 292238125 /nfs/dbraw/zinc/23/81/25/292238125.db2.gz RGKWUPQSQGIZAY-JKSUJKDBSA-N 1 1 266.344 2.719 40 0 CFABMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000008406966 170335450 /nfs/dbraw/zinc/33/54/50/170335450.db2.gz RNEQQIJSHKHNLC-QGZVFWFLSA-N 1 1 298.361 2.830 40 0 CFABMO CCOc1ccc([C@H](CN)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000022172594 171368933 /nfs/dbraw/zinc/36/89/33/171368933.db2.gz YLHITQLEVOFUJB-CJNGLKHVSA-N 1 1 262.397 2.817 40 0 CFABMO CCOc1ccc([C@H](CN)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000022172594 171368934 /nfs/dbraw/zinc/36/89/34/171368934.db2.gz YLHITQLEVOFUJB-CJNGLKHVSA-N 1 1 262.397 2.817 40 0 CFABMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038857540 174158045 /nfs/dbraw/zinc/15/80/45/174158045.db2.gz YLJHDGLJSGSBFV-MRXNPFEDSA-N 1 1 274.408 2.815 40 0 CFABMO CCOC(=O)c1cc2c([nH]1)CC[N@H+](Cc1ccccc1)C2 ZINC000040448264 174265602 /nfs/dbraw/zinc/26/56/02/174265602.db2.gz IJCZULYFRPFQKN-UHFFFAOYSA-N 1 1 284.359 2.750 40 0 CFABMO CCOC(=O)c1cc2c([nH]1)CC[N@@H+](Cc1ccccc1)C2 ZINC000040448264 174265604 /nfs/dbraw/zinc/26/56/04/174265604.db2.gz IJCZULYFRPFQKN-UHFFFAOYSA-N 1 1 284.359 2.750 40 0 CFABMO C[N@H+](Cc1ccccc1)C[C@@H](O)c1cccc(O)c1 ZINC000044136062 175146131 /nfs/dbraw/zinc/14/61/31/175146131.db2.gz JBBZPOHBHNEKIM-MRXNPFEDSA-N 1 1 257.333 2.558 40 0 in-vitro CFABMO CSc1ccc(CN2CCC[C@H](C[NH3+])C2)cc1 ZINC000044527970 175192443 /nfs/dbraw/zinc/19/24/43/175192443.db2.gz SEKQTLJLHXPTOO-CYBMUJFWSA-N 1 1 250.411 2.579 40 0 CFABMO O[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000072203669 176342032 /nfs/dbraw/zinc/34/20/32/176342032.db2.gz IBONJVDOEBECNJ-LLVKDONJSA-N 1 1 260.164 2.950 40 0 CFABMO O[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000072203669 176342033 /nfs/dbraw/zinc/34/20/33/176342033.db2.gz IBONJVDOEBECNJ-LLVKDONJSA-N 1 1 260.164 2.950 40 0 CFABMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(Br)o1 ZINC000072324721 176369597 /nfs/dbraw/zinc/36/95/97/176369597.db2.gz KJAVUNFFXFBSSK-MNOVXSKESA-N 1 1 299.212 2.711 40 0 CFABMO c1cn(-c2nccnc2[C@@H]2CCC[N@H+](C3CCCC3)C2)cn1 ZINC000072350471 176373794 /nfs/dbraw/zinc/37/37/94/176373794.db2.gz GZECJIYXSBKEFK-CQSZACIVSA-N 1 1 297.406 2.784 40 0 CFABMO CNc1cccc([C@@H]2CCC[N@@H+](Cc3ccncc3)C2)n1 ZINC000072363781 176378012 /nfs/dbraw/zinc/37/80/12/176378012.db2.gz YEQJEYGTOLJTHC-OAHLLOKOSA-N 1 1 282.391 2.898 40 0 CFABMO C[N@H+]1CCC[C@H]1c1cccc(Nc2cccc(C(N)=O)c2)n1 ZINC000072365282 176380332 /nfs/dbraw/zinc/38/03/32/176380332.db2.gz DHYGYCCMGMQLCM-HNNXBMFYSA-N 1 1 296.374 2.691 40 0 CFABMO Cc1c[nH]nc1[C@@H]1CC[N@H+](Cc2nc3ccccc3n2C)C1 ZINC000072385297 176389933 /nfs/dbraw/zinc/38/99/33/176389933.db2.gz ONQDJEVMIVSMMR-CYBMUJFWSA-N 1 1 295.390 2.594 40 0 CFABMO Cc1nccn1-c1ccc([C@H]2CCCC[N@@H+]2C)cn1 ZINC000072386494 176391408 /nfs/dbraw/zinc/39/14/08/176391408.db2.gz AOVOIKQOBAUPQO-CQSZACIVSA-N 1 1 256.353 2.733 40 0 CFABMO c1ccc(C[N@H+]2CCC[C@@H](c3[nH]nc4nccnc43)C2)cc1 ZINC000072393819 176394538 /nfs/dbraw/zinc/39/45/38/176394538.db2.gz PCACIDHYKVUZAT-CQSZACIVSA-N 1 1 293.374 2.733 40 0 CFABMO Cc1[nH+]ccn1C[C@@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000072398281 176396519 /nfs/dbraw/zinc/39/65/19/176396519.db2.gz AUXOGHFYPJTFQQ-CHWSQXEVSA-N 1 1 271.364 2.705 40 0 CFABMO COc1ccc2c(c1O)-c1cc(O)cc3c1[C@H](C2)[N@H+](C)CC3 ZINC000005913860 274140941 /nfs/dbraw/zinc/14/09/41/274140941.db2.gz LEWKYIVLAXKZAS-AWEZNQCLSA-N 1 1 297.354 2.859 40 0 CFABMO COc1ccc2c(c1O)-c1cc(O)cc3c1[C@H](C2)[N@@H+](C)CC3 ZINC000005913860 274140943 /nfs/dbraw/zinc/14/09/43/274140943.db2.gz LEWKYIVLAXKZAS-AWEZNQCLSA-N 1 1 297.354 2.859 40 0 CFABMO CC1=CC(C)(C)Nc2c(C(=O)N3CC[NH+](C)CC3)cccc21 ZINC000020800295 276178057 /nfs/dbraw/zinc/17/80/57/276178057.db2.gz SCVAZMLLLSAUOM-UHFFFAOYSA-N 1 1 299.418 2.682 40 0 CFABMO C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cc2)C1 ZINC000082325497 277073137 /nfs/dbraw/zinc/07/31/37/277073137.db2.gz FJAPXYKIFSJQEJ-JTQLQIEISA-N 1 1 297.196 2.729 40 0 CFABMO Cc1cc(C)c(NC(=O)[C@@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000082323753 280393551 /nfs/dbraw/zinc/39/35/51/280393551.db2.gz VBMHSYCQKHSXEZ-CQSZACIVSA-N 1 1 260.381 2.892 40 0 CFABMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]1(CO)C(F)(F)F ZINC000228906499 525013973 /nfs/dbraw/zinc/01/39/73/525013973.db2.gz YRQQNNUMEBZONG-YPMHNXCESA-N 1 1 273.298 2.679 40 0 CFABMO COc1ccc([C@@H]([NH3+])c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000095533751 185006099 /nfs/dbraw/zinc/00/60/99/185006099.db2.gz DZJXCBMAWADBDB-CQSZACIVSA-N 1 1 280.331 2.528 40 0 CFABMO CC(C)c1nnc([C@@H]([NH3+])c2ccc(Cl)cc2)[nH]1 ZINC000095533937 185006436 /nfs/dbraw/zinc/00/64/36/185006436.db2.gz KNGUOFTYNDTLIY-JTQLQIEISA-N 1 1 250.733 2.630 40 0 CFABMO [NH3+][C@@H](c1nc(-c2cccnc2)n[nH]1)c1ccc(Cl)cc1 ZINC000095533960 185006705 /nfs/dbraw/zinc/00/67/05/185006705.db2.gz DCYSRXAPJHSUMA-GFCCVEGCSA-N 1 1 285.738 2.568 40 0 CFABMO COc1ccc([C@H]([NH3+])c2nc(-c3ccccc3F)n[nH]2)cc1 ZINC000095533710 185006897 /nfs/dbraw/zinc/00/68/97/185006897.db2.gz HULDSPICELQASC-AWEZNQCLSA-N 1 1 298.321 2.668 40 0 CFABMO [NH3+][C@H](c1nc(-c2ccccc2F)n[nH]1)c1ccccc1 ZINC000095533440 185007659 /nfs/dbraw/zinc/00/76/59/185007659.db2.gz VRSNLKDIOXNJCB-ZDUSSCGKSA-N 1 1 268.295 2.659 40 0 CFABMO CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1nccs1)C2 ZINC000096039322 185069153 /nfs/dbraw/zinc/06/91/53/185069153.db2.gz WFINKTBRGBJVHM-HIFRSBDPSA-N 1 1 296.436 2.551 40 0 CFABMO CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1nccs1)C2 ZINC000096039322 185069154 /nfs/dbraw/zinc/06/91/54/185069154.db2.gz WFINKTBRGBJVHM-HIFRSBDPSA-N 1 1 296.436 2.551 40 0 CFABMO CC[N@H+]1CCOC[C@@]2(CCCN(Cc3ccsc3)C2)C1 ZINC000096049590 185072987 /nfs/dbraw/zinc/07/29/87/185072987.db2.gz FYXTXTIEKNVLCG-INIZCTEOSA-N 1 1 294.464 2.682 40 0 CFABMO CCN1CCOC[C@@]2(CCC[N@H+](Cc3ccsc3)C2)C1 ZINC000096049590 185072989 /nfs/dbraw/zinc/07/29/89/185072989.db2.gz FYXTXTIEKNVLCG-INIZCTEOSA-N 1 1 294.464 2.682 40 0 CFABMO CCN1CCOC[C@@]2(CCC[N@@H+](Cc3ccsc3)C2)C1 ZINC000096049590 185072991 /nfs/dbraw/zinc/07/29/91/185072991.db2.gz FYXTXTIEKNVLCG-INIZCTEOSA-N 1 1 294.464 2.682 40 0 CFABMO c1cc(CN2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cs1 ZINC000096053787 185073767 /nfs/dbraw/zinc/07/37/67/185073767.db2.gz LQLMHLPVDPXAMO-HOTGVXAUSA-N 1 1 299.443 2.707 40 0 CFABMO CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccco1)CCO2 ZINC000096051865 185074222 /nfs/dbraw/zinc/07/42/22/185074222.db2.gz PMZSMQQOQYKOJN-GOEBONIOSA-N 1 1 279.380 2.687 40 0 CFABMO CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1ccco1)CCO2 ZINC000096051865 185074223 /nfs/dbraw/zinc/07/42/23/185074223.db2.gz PMZSMQQOQYKOJN-GOEBONIOSA-N 1 1 279.380 2.687 40 0 CFABMO COC[C@H]1C[N@H+](Cc2ccc(C)s2)Cc2ncn(C)c21 ZINC000096060189 185080146 /nfs/dbraw/zinc/08/01/46/185080146.db2.gz OLYOFZYJKWBTBZ-GFCCVEGCSA-N 1 1 291.420 2.536 40 0 CFABMO COC[C@H]1C[N@@H+](Cc2ccc(C)s2)Cc2ncn(C)c21 ZINC000096060189 185080147 /nfs/dbraw/zinc/08/01/47/185080147.db2.gz OLYOFZYJKWBTBZ-GFCCVEGCSA-N 1 1 291.420 2.536 40 0 CFABMO c1nc(C[N@@H+]2CC[C@]3(C[C@H](c4ccccc4)CO3)C2)c[nH]1 ZINC000096072145 185087592 /nfs/dbraw/zinc/08/75/92/185087592.db2.gz QPFYVCWUWTUOQR-RDJZCZTQSA-N 1 1 283.375 2.558 40 0 CFABMO c1nc(C[N@H+]2CC[C@]3(C[C@H](c4ccccc4)CO3)C2)c[nH]1 ZINC000096072145 185087593 /nfs/dbraw/zinc/08/75/93/185087593.db2.gz QPFYVCWUWTUOQR-RDJZCZTQSA-N 1 1 283.375 2.558 40 0 CFABMO c1ncc(C[N@@H+]2CC[C@]3(C[C@H](c4ccccc4)CO3)C2)[nH]1 ZINC000096072145 185087595 /nfs/dbraw/zinc/08/75/95/185087595.db2.gz QPFYVCWUWTUOQR-RDJZCZTQSA-N 1 1 283.375 2.558 40 0 CFABMO c1ncc(C[N@H+]2CC[C@]3(C[C@H](c4ccccc4)CO3)C2)[nH]1 ZINC000096072145 185087597 /nfs/dbraw/zinc/08/75/97/185087597.db2.gz QPFYVCWUWTUOQR-RDJZCZTQSA-N 1 1 283.375 2.558 40 0 CFABMO C[N@H+]1CC[C@@](O)(c2ccccc2)[C@H](c2ccccc2)C1 ZINC000004791875 283101181 /nfs/dbraw/zinc/10/11/81/283101181.db2.gz CHRSBWPLDAJHHB-ZWKOTPCHSA-N 1 1 267.372 2.994 40 0 CFABMO C[N@H+]1CC[C@H]2[C@@H](C1)c1ccccc1[C@]2(O)c1ccccc1 ZINC000005700910 283158667 /nfs/dbraw/zinc/15/86/67/283158667.db2.gz NDJFIWYEZXIUMO-YTQUADARSA-N 1 1 279.383 2.971 40 0 CFABMO CCCNC(=S)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(C)C ZINC000008628310 283384462 /nfs/dbraw/zinc/38/44/62/283384462.db2.gz BEYRRGIQRBONHQ-GOOCMWNKSA-N 1 1 297.512 2.902 40 0 CFABMO CC[N@@H+](C)CCc1c[nH]c2cccc(OC(C)=O)c12 ZINC000206515932 540932802 /nfs/dbraw/zinc/93/28/02/540932802.db2.gz OMDKHOOGGJRLLX-UHFFFAOYSA-N 1 1 260.337 2.587 40 0 in-vitro CFABMO CCCC[NH+](CCCC)C[C@H](O)CN(CC)CC ZINC000001668541 371693276 /nfs/dbraw/zinc/69/32/76/371693276.db2.gz MOXDFIJXNYLJIX-OAHLLOKOSA-N 1 1 258.450 2.591 40 0 CFABMO Cc1cc(Nc2ccc(Br)cc2)nc(N)[nH+]1 ZINC000001675009 371694994 /nfs/dbraw/zinc/69/49/94/371694994.db2.gz DXBSNDAVNFWNTI-UHFFFAOYSA-N 1 1 279.141 2.873 40 0 CFABMO CC(=O)O[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC000004601839 371867384 /nfs/dbraw/zinc/86/73/84/371867384.db2.gz CESFOVNVFNXRAX-XEZPLFJOSA-N 1 1 261.365 2.849 40 0 CFABMO COc1ccc(CN[C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000013424571 372026672 /nfs/dbraw/zinc/02/66/72/372026672.db2.gz GDGJJJMFINQFHI-ZENOOKHLSA-N 1 1 262.397 2.514 40 0 CFABMO COc1ccc(CN[C@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000013424571 372026677 /nfs/dbraw/zinc/02/66/77/372026677.db2.gz GDGJJJMFINQFHI-ZENOOKHLSA-N 1 1 262.397 2.514 40 0 CFABMO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C)C[C@@H]2C)cc1 ZINC000013424571 372026681 /nfs/dbraw/zinc/02/66/81/372026681.db2.gz GDGJJJMFINQFHI-ZENOOKHLSA-N 1 1 262.397 2.514 40 0 CFABMO CCc1[nH+]ccn1[C@H](C)C(=O)Nc1ccc2ncn(C)c2c1 ZINC000019718534 372180041 /nfs/dbraw/zinc/18/00/41/372180041.db2.gz BSZOOUDVDGEZNP-LLVKDONJSA-N 1 1 297.362 2.532 40 0 CFABMO CC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@@H+]2C ZINC000019019571 372146773 /nfs/dbraw/zinc/14/67/73/372146773.db2.gz SKRJLXCULPULLS-KSZLIROESA-N 1 1 286.419 2.875 40 0 CFABMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1cccc2cccnc21 ZINC000019575150 372175758 /nfs/dbraw/zinc/17/57/58/372175758.db2.gz VBLAPMAKWRBCTI-PBHICJAKSA-N 1 1 281.403 2.903 40 0 CFABMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cc(F)ccc1F ZINC000019575730 372175918 /nfs/dbraw/zinc/17/59/18/372175918.db2.gz DOUVFOWPBNBIAS-FZMZJTMJSA-N 1 1 266.335 2.633 40 0 CFABMO COc1ccc(/C=C/CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1 ZINC000019575678 372176229 /nfs/dbraw/zinc/17/62/29/372176229.db2.gz XKPYGZIQFOIGTK-VFYPNZCPSA-N 1 1 286.419 2.877 40 0 CFABMO Cc1[nH]c2c(cccc2C(=O)N[C@H]2CCC[N@H+](C)C2)c1C ZINC000019576942 372176470 /nfs/dbraw/zinc/17/64/70/372176470.db2.gz HZOOJDRVLXLVBZ-ZDUSSCGKSA-N 1 1 285.391 2.609 40 0 CFABMO COc1ccc2c(c1)[C@@]13CC[N@@H+](C)[C@@H](C2)[C@H]1[C@H](C)CC(=O)C3 ZINC000029476073 372381582 /nfs/dbraw/zinc/38/15/82/372381582.db2.gz FVZCKWRBLLZDHV-UCVSXLDNSA-N 1 1 299.414 2.808 40 0 biogenic,in-vitro CFABMO OC[C@@H]1CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000051886646 373414262 /nfs/dbraw/zinc/41/42/62/373414262.db2.gz MWYWEQWLWANNDL-SNVBAGLBSA-N 1 1 260.164 2.808 40 0 CFABMO OC[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000051886646 373414275 /nfs/dbraw/zinc/41/42/75/373414275.db2.gz MWYWEQWLWANNDL-SNVBAGLBSA-N 1 1 260.164 2.808 40 0 CFABMO COc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)CCN2)c1 ZINC000056894892 373573500 /nfs/dbraw/zinc/57/35/00/373573500.db2.gz JHMOTEPUZBNHLR-SFHVURJKSA-N 1 1 282.387 2.842 40 0 CFABMO COc1cccc([C@@H]2CN(Cc3ccccc3)CC[NH2+]2)c1 ZINC000056894892 373573504 /nfs/dbraw/zinc/57/35/04/373573504.db2.gz JHMOTEPUZBNHLR-SFHVURJKSA-N 1 1 282.387 2.842 40 0 CFABMO Fc1cccc([C@@H]2C[N@H+](Cc3ccccc3)CCN2)c1 ZINC000056894956 373574890 /nfs/dbraw/zinc/57/48/90/373574890.db2.gz HIHFSVKKVHQRQF-KRWDZBQOSA-N 1 1 270.351 2.972 40 0 CFABMO Fc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)CCN2)c1 ZINC000056894956 373574897 /nfs/dbraw/zinc/57/48/97/373574897.db2.gz HIHFSVKKVHQRQF-KRWDZBQOSA-N 1 1 270.351 2.972 40 0 CFABMO OCC[N@H+]1C[C@H]2[C@@H](C1)C1c3ccccc3C2c2ccccc21 ZINC000072373697 374246548 /nfs/dbraw/zinc/24/65/48/374246548.db2.gz KUVXZEZFMDEAMY-VCWRXUFXSA-N 1 1 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CCc1nccn1-c1ccnc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000257279464 190025430 /nfs/dbraw/zinc/02/54/30/190025430.db2.gz OGTZMKWMMWYSOL-CYBMUJFWSA-N 1 1 270.380 2.639 40 0 CFABMO Cc1c[nH]c([C@H]2C[N@H+](CCCc3ccccc3)CCO2)n1 ZINC000257278671 190025749 /nfs/dbraw/zinc/02/57/49/190025749.db2.gz ODDLRVFFBOMXEN-MRXNPFEDSA-N 1 1 285.391 2.724 40 0 CFABMO Cc1c[nH]c([C@H]2C[N@@H+](CCCc3ccccc3)CCO2)n1 ZINC000257278671 190025750 /nfs/dbraw/zinc/02/57/50/190025750.db2.gz ODDLRVFFBOMXEN-MRXNPFEDSA-N 1 1 285.391 2.724 40 0 CFABMO O=c1nccc([C@H]2CCC[N@@H+](CCc3ccccc3)C2)[nH]1 ZINC000257280423 190025839 /nfs/dbraw/zinc/02/58/39/190025839.db2.gz OKUGVVCEHKZSEZ-HNNXBMFYSA-N 1 1 283.375 2.604 40 0 CFABMO CC(C)[N@H+]1CCC[C@H](Cc2cnc(-c3nccn3C)cn2)C1 ZINC000257285808 190026814 /nfs/dbraw/zinc/02/68/14/190026814.db2.gz PIZCFAXEJGDEJK-CQSZACIVSA-N 1 1 299.422 2.540 40 0 CFABMO CO[C@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@@]12CCCO2 ZINC000257286364 190027232 /nfs/dbraw/zinc/02/72/32/190027232.db2.gz 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ZINC000218831376 382791044 /nfs/dbraw/zinc/79/10/44/382791044.db2.gz CFVCBVTVWWLKNC-UONOGXRCSA-N 1 1 250.411 2.507 40 0 CFABMO CNc1cccc(CC[C@H]2CCCCN2c2ncccn2)[nH+]1 ZINC000257318104 383494668 /nfs/dbraw/zinc/49/46/68/383494668.db2.gz VMNINBFXCAODRR-OAHLLOKOSA-N 1 1 297.406 2.905 40 0 CFABMO CNc1cc([C@H]2CCCN(c3cc(C)ncn3)C2)cc[nH+]1 ZINC000257342104 383494899 /nfs/dbraw/zinc/49/48/99/383494899.db2.gz ZNCPCYIXXNTTJS-AWEZNQCLSA-N 1 1 283.379 2.606 40 0 CFABMO O[C@@H]1C[C@H]2CCC[N@@H+]3CCc4c5ccccc5n1c4[C@H]23 ZINC000005935068 285335463 /nfs/dbraw/zinc/33/54/63/285335463.db2.gz KOIGYXJOGRVNIS-LYRGGWFBSA-N 1 1 268.360 2.845 40 0 in-man CFABMO O[C@@H]1C[C@H]2CCC[N@H+]3CCc4c5ccccc5n1c4[C@H]23 ZINC000005935068 285335469 /nfs/dbraw/zinc/33/54/69/285335469.db2.gz KOIGYXJOGRVNIS-LYRGGWFBSA-N 1 1 268.360 2.845 40 0 in-man CFABMO CC(=O)N1CCCC[C@@H]1c1ccc(N(C)C)[nH+]c1C ZINC000072218775 393645030 /nfs/dbraw/zinc/64/50/30/393645030.db2.gz HYDZBFPSALQWFW-CQSZACIVSA-N 1 1 261.369 2.530 40 0 CFABMO CCCC[N@H+]1CCC[C@H]1c1ccc(N2CCOCC2)nc1 ZINC000072216168 393645469 /nfs/dbraw/zinc/64/54/69/393645469.db2.gz NHSHSYMGWXTPSS-INIZCTEOSA-N 1 1 289.423 2.855 40 0 CFABMO [NH3+][C@H]1C(=O)N(c2ccccc2)[C@@H]1c1cccc(Cl)c1 ZINC000072227372 393647114 /nfs/dbraw/zinc/64/71/14/393647114.db2.gz FTNJFZMBYZEHHU-ZIAGYGMSSA-N 1 1 272.735 2.755 40 0 CFABMO [NH3+][C@H]1C(=O)N(c2ccccc2)[C@H]1c1cccc(Cl)c1 ZINC000072227373 393647563 /nfs/dbraw/zinc/64/75/63/393647563.db2.gz FTNJFZMBYZEHHU-KGLIPLIRSA-N 1 1 272.735 2.755 40 0 CFABMO [NH3+][C@@H]1C(=O)N(c2cccc(F)c2)[C@@H]1c1ccccc1Cl ZINC000072227634 393648597 /nfs/dbraw/zinc/64/85/97/393648597.db2.gz IUPWLSVKKDFIFC-UONOGXRCSA-N 1 1 290.725 2.894 40 0 CFABMO Cc1cccc(N2C(=O)[C@@H]([NH3+])[C@@H]2c2ccccc2F)c1 ZINC000072227435 393648831 /nfs/dbraw/zinc/64/88/31/393648831.db2.gz XPPADCIQOVVVML-GJZGRUSLSA-N 1 1 270.307 2.549 40 0 CFABMO [NH3+][C@H]1C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccc1F ZINC000072227985 393649008 /nfs/dbraw/zinc/64/90/08/393649008.db2.gz XBPBJCHOWUXGAO-KGLIPLIRSA-N 1 1 290.725 2.894 40 0 CFABMO Cc1cc(Nc2cccc([C@H]3CCC[N@@H+]3C)n2)no1 ZINC000072375108 393650440 /nfs/dbraw/zinc/65/04/40/393650440.db2.gz OMGDVPIBTNRZKP-GFCCVEGCSA-N 1 1 258.325 2.888 40 0 CFABMO O=C(c1ccco1)N1CC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000238927866 393796993 /nfs/dbraw/zinc/79/69/93/393796993.db2.gz UUOLSNIQAIHWIK-INIZCTEOSA-N 1 1 296.370 2.552 40 0 CFABMO Cc1ccc([C@H]2[C@H]([NH3+])C(=O)N2c2ccc(C)cc2)cc1 ZINC000061711284 292280396 /nfs/dbraw/zinc/28/03/96/292280396.db2.gz RGKWUPQSQGIZAY-HOTGVXAUSA-N 1 1 266.344 2.719 40 0 CFABMO Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CC[N@H+](C(C)C)C2 ZINC000225488104 292335784 /nfs/dbraw/zinc/33/57/84/292335784.db2.gz WUXSRLIUHBFSOE-AWEZNQCLSA-N 1 1 274.364 2.934 40 0 biogenic,in-vitro CFABMO O=Cc1ccc(OC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1O ZINC000005943971 170160466 /nfs/dbraw/zinc/16/04/66/170160466.db2.gz ZHLARUGYDIKKSN-GOEBONIOSA-N 1 1 289.375 2.848 40 0 CFABMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(N)=S)cc1 ZINC000020160471 171039969 /nfs/dbraw/zinc/03/99/69/171039969.db2.gz NXRZCACJVXUBDQ-LLVKDONJSA-N 1 1 263.410 2.717 40 0 CFABMO CCn1cc(C[NH2+]Cc2cc(F)ccc2F)c(C)n1 ZINC000020354203 171157028 /nfs/dbraw/zinc/15/70/28/171157028.db2.gz APZQJQDYYQGBMG-UHFFFAOYSA-N 1 1 265.307 2.779 40 0 CFABMO CCC[C@H](C(=O)c1ccc2c(c1)OCO2)[NH+]1CCCC1 ZINC000021301566 171301308 /nfs/dbraw/zinc/30/13/08/171301308.db2.gz SYHGEUNFJIGTRX-CYBMUJFWSA-N 1 1 275.348 2.863 40 0 in-vitro CFABMO CCOc1ccc([C@H](CN)[NH+]2CCC(C)CC2)cc1 ZINC000038827576 174155825 /nfs/dbraw/zinc/15/58/25/174155825.db2.gz MUXBGKIJXFENMZ-INIZCTEOSA-N 1 1 262.397 2.817 40 0 CFABMO [NH3+][C@H]1C(=O)N(Cc2ccccc2)[C@@H]1c1cccc(Cl)c1 ZINC000072228156 176343685 /nfs/dbraw/zinc/34/36/85/176343685.db2.gz XCZDLPRTUNILRX-HUUCEWRRSA-N 1 1 286.762 2.751 40 0 CFABMO [NH3+][C@H]1C(=O)N(Cc2ccccc2)[C@H]1c1cccc(Cl)c1 ZINC000072228157 176343952 /nfs/dbraw/zinc/34/39/52/176343952.db2.gz XCZDLPRTUNILRX-CABCVRRESA-N 1 1 286.762 2.751 40 0 CFABMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(Br)o1 ZINC000072324719 176369653 /nfs/dbraw/zinc/36/96/53/176369653.db2.gz KJAVUNFFXFBSSK-GHMZBOCLSA-N 1 1 299.212 2.711 40 0 CFABMO Cc1cccc(Nc2cnc([C@@H]3CCC[N@H+](C)C3)cn2)n1 ZINC000072361549 176377667 /nfs/dbraw/zinc/37/76/67/176377667.db2.gz GIYJDXUIDTUTRS-CYBMUJFWSA-N 1 1 283.379 2.733 40 0 CFABMO CC(C)[N@H+]1CCC[C@H]1CCc1cc(-c2cncnc2)ncn1 ZINC000072365399 176380804 /nfs/dbraw/zinc/38/08/04/176380804.db2.gz MCRHJOZMENDLRJ-INIZCTEOSA-N 1 1 297.406 2.739 40 0 CFABMO CCc1nccn1-c1cccc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000072379100 176385581 /nfs/dbraw/zinc/38/55/81/176385581.db2.gz MBVWYFWVKYTOOA-ZDUSSCGKSA-N 1 1 270.380 2.639 40 0 CFABMO c1csc(C[C@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000072385048 176389240 /nfs/dbraw/zinc/38/92/40/176389240.db2.gz VPMKXDBGTNYNMV-CYBMUJFWSA-N 1 1 273.405 2.993 40 0 CFABMO c1cc(C[N@@H+]2CCCC[C@@H]2c2ccncn2)ccn1 ZINC000072385033 176389355 /nfs/dbraw/zinc/38/93/55/176389355.db2.gz NAOULSVKEPGULY-OAHLLOKOSA-N 1 1 254.337 2.599 40 0 CFABMO c1cc(C[N@H+]2CCCC[C@@H]2c2ccncn2)ccn1 ZINC000072385033 176389357 /nfs/dbraw/zinc/38/93/57/176389357.db2.gz NAOULSVKEPGULY-OAHLLOKOSA-N 1 1 254.337 2.599 40 0 CFABMO COCCNc1ccc([C@@H]2CCC[N@H+](C(C)C)C2)nc1 ZINC000072386657 176392138 /nfs/dbraw/zinc/39/21/38/176392138.db2.gz UVAMNNHPFPFCDK-CQSZACIVSA-N 1 1 277.412 2.728 40 0 CFABMO COCCNc1ccc([C@H]2CCC[N@H+](C(C)C)C2)nc1 ZINC000072386656 176392163 /nfs/dbraw/zinc/39/21/63/176392163.db2.gz UVAMNNHPFPFCDK-AWEZNQCLSA-N 1 1 277.412 2.728 40 0 CFABMO c1ccc(C[N@H+]2CCC[C@H](c3[nH]nc4nccnc43)C2)cc1 ZINC000072393818 176394482 /nfs/dbraw/zinc/39/44/82/176394482.db2.gz PCACIDHYKVUZAT-AWEZNQCLSA-N 1 1 293.374 2.733 40 0 CFABMO Cc1ccc(C[N@@H+]2CCOC[C@H](Oc3ccccc3)C2)o1 ZINC000077265833 177246786 /nfs/dbraw/zinc/24/67/86/177246786.db2.gz NFSXTTZNFZOMQA-QGZVFWFLSA-N 1 1 287.359 2.868 40 0 biogenic,in-vitro CFABMO Cc1ccc(C[N@H+]2CCOC[C@H](Oc3ccccc3)C2)o1 ZINC000077265833 177246787 /nfs/dbraw/zinc/24/67/87/177246787.db2.gz NFSXTTZNFZOMQA-QGZVFWFLSA-N 1 1 287.359 2.868 40 0 biogenic,in-vitro CFABMO CCO[C@H]1CSC2(C[NH+](Cc3scnc3C)C2)C1 ZINC000248068195 276361168 /nfs/dbraw/zinc/36/11/68/276361168.db2.gz XOMCEGJFVFFASQ-LLVKDONJSA-N 1 1 284.450 2.548 40 0 CFABMO C[N@H+]1CCC[C@H]1c1ccnc(N2C(=O)OCC2(C)C)c1 ZINC000257203541 277082746 /nfs/dbraw/zinc/08/27/46/277082746.db2.gz AQNCAXRJOCLMPH-LBPRGKRZSA-N 1 1 275.352 2.584 40 0 CFABMO C[N@H+]1CC[C@@H]2[C@@H](C1)c1ccccc1[C@]2(O)c1ccccc1 ZINC000005700908 277155183 /nfs/dbraw/zinc/15/51/83/277155183.db2.gz NDJFIWYEZXIUMO-QXAKKESOSA-N 1 1 279.383 2.971 40 0 CFABMO C[N@H+]1[C@@H](c2ccccc2)CNC(=O)C[C@H]1c1ccccc1 ZINC000001719798 277214078 /nfs/dbraw/zinc/21/40/78/277214078.db2.gz BBZYRNUKBWYENE-DLBZAZTESA-N 1 1 280.371 2.921 40 0 CFABMO COc1ccccc1-c1nccnc1[C@@H]1CCC[N@@H+](C)C1 ZINC000072358365 295344198 /nfs/dbraw/zinc/34/41/98/295344198.db2.gz HWOMGZYOEPKVLI-CYBMUJFWSA-N 1 1 283.375 2.961 40 0 CFABMO CC[N@@H+](CCCCO)CCc1c[nH]c2ccc(OC)cc12 ZINC000001605328 517646636 /nfs/dbraw/zinc/64/66/36/517646636.db2.gz NNCURBWKGYHYFU-UHFFFAOYSA-N 1 1 290.407 2.813 40 0 CFABMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]1(CO)C(F)(F)F ZINC000228906515 524633037 /nfs/dbraw/zinc/63/30/37/524633037.db2.gz YRQQNNUMEBZONG-AAEUAGOBSA-N 1 1 273.298 2.679 40 0 CFABMO CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccoc1)C2 ZINC000096039311 185069400 /nfs/dbraw/zinc/06/94/00/185069400.db2.gz KRLYSIGFBFAJGL-HZPDHXFCSA-N 1 1 279.380 2.687 40 0 CFABMO COC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cccs1)C2 ZINC000096038966 185069511 /nfs/dbraw/zinc/06/95/11/185069511.db2.gz PBHNFRYUBRNYML-CABCVRRESA-N 1 1 281.421 2.766 40 0 CFABMO CCn1ncc2c1C[N@H+](Cc1ccc(C)cc1)C[C@H]2COC ZINC000096044568 185071493 /nfs/dbraw/zinc/07/14/93/185071493.db2.gz BTOWDKNBMUTQQG-INIZCTEOSA-N 1 1 299.418 2.957 40 0 CFABMO CCn1ncc2c1C[N@@H+](Cc1ccc(C)cc1)C[C@H]2COC ZINC000096044568 185071495 /nfs/dbraw/zinc/07/14/95/185071495.db2.gz BTOWDKNBMUTQQG-INIZCTEOSA-N 1 1 299.418 2.957 40 0 CFABMO CCN1CCOC[C@@]2(CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000096049588 185072712 /nfs/dbraw/zinc/07/27/12/185072712.db2.gz WCKVCQFOWLASCT-INIZCTEOSA-N 1 1 294.464 2.682 40 0 CFABMO CC[N@@H+]1CCOC[C@@]2(CCCN(Cc3cccs3)C2)C1 ZINC000096049588 185072713 /nfs/dbraw/zinc/07/27/13/185072713.db2.gz WCKVCQFOWLASCT-INIZCTEOSA-N 1 1 294.464 2.682 40 0 CFABMO CC[N@H+]1CCOC[C@@]2(CCCN(Cc3cccs3)C2)C1 ZINC000096049588 185072715 /nfs/dbraw/zinc/07/27/15/185072715.db2.gz WCKVCQFOWLASCT-INIZCTEOSA-N 1 1 294.464 2.682 40 0 CFABMO Cc1ccc(C[N@H+]2C[C@H]3CN(c4ccccc4)C(=O)[C@@H]3C2)o1 ZINC000096053581 185073714 /nfs/dbraw/zinc/07/37/14/185073714.db2.gz YMRVJIYUICGOAF-WMLDXEAASA-N 1 1 296.370 2.683 40 0 CFABMO c1csc(C[N@H+]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)c1 ZINC000096053723 185074711 /nfs/dbraw/zinc/07/47/11/185074711.db2.gz ACJOLGHVDXJSNP-IYBDPMFKSA-N 1 1 299.443 2.707 40 0 CFABMO c1cc(CN2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cs1 ZINC000096053728 185074918 /nfs/dbraw/zinc/07/49/18/185074918.db2.gz ZKJRVYIHLDIHNC-IAGOWNOFSA-N 1 1 299.443 2.707 40 0 CFABMO Cc1ccc(C[N@@H+]2CCO[C@H]3[C@@H](OCC4CC4)CC[C@@H]32)o1 ZINC000096065873 185084261 /nfs/dbraw/zinc/08/42/61/185084261.db2.gz DONTWEAPTRYHQK-YESZJQIVSA-N 1 1 291.391 2.746 40 0 CFABMO Cc1ccc(C[N@H+]2CCO[C@H]3[C@@H](OCC4CC4)CC[C@@H]32)o1 ZINC000096065873 185084262 /nfs/dbraw/zinc/08/42/62/185084262.db2.gz DONTWEAPTRYHQK-YESZJQIVSA-N 1 1 291.391 2.746 40 0 CFABMO CO[C@@H]1CC[N@@H+](Cc2ccoc2)[C@H]1Cc1cccnc1 ZINC000096069823 185085266 /nfs/dbraw/zinc/08/52/66/185085266.db2.gz DEADBMLFTDILKT-JKSUJKDBSA-N 1 1 272.348 2.507 40 0 CFABMO F[C@@H]1C[N@@H+](C2CCC2)C[C@@H]1OCc1nc2ccccc2o1 ZINC000096112088 185100644 /nfs/dbraw/zinc/10/06/44/185100644.db2.gz HQFNYOPOGFGFBQ-DOMZBBRYSA-N 1 1 290.338 2.919 40 0 biogenic,in-vitro CFABMO F[C@@H]1C[N@H+](C2CCC2)C[C@@H]1OCc1nc2ccccc2o1 ZINC000096112088 185100645 /nfs/dbraw/zinc/10/06/45/185100645.db2.gz HQFNYOPOGFGFBQ-DOMZBBRYSA-N 1 1 290.338 2.919 40 0 biogenic,in-vitro CFABMO C[N@H+](C/C=C/c1ccccc1)[C@H]1CCC[C@H]1S(C)(=O)=O ZINC000245338674 282335313 /nfs/dbraw/zinc/33/53/13/282335313.db2.gz NTOUULSBZFSECU-UIOUNXJESA-N 1 1 293.432 2.597 40 0 CFABMO C[N@@H+](C/C=C/c1ccccc1)[C@H]1CCC[C@H]1S(C)(=O)=O ZINC000245338674 282335315 /nfs/dbraw/zinc/33/53/15/282335315.db2.gz NTOUULSBZFSECU-UIOUNXJESA-N 1 1 293.432 2.597 40 0 CFABMO CCc1[nH+]ccn1CCCNC(=O)c1cccc(C)c1 ZINC000010328697 346226536 /nfs/dbraw/zinc/22/65/36/346226536.db2.gz DHIDYFSPUKHYQL-UHFFFAOYSA-N 1 1 271.364 2.574 40 0 CFABMO CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1C[N@@H+]2Cc1ccccc1 ZINC000114316191 347771442 /nfs/dbraw/zinc/77/14/42/347771442.db2.gz QYAYEQNJXBSCAW-HUUCEWRRSA-N 1 1 288.391 2.880 40 0 CFABMO CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1C[N@H+]2Cc1ccccc1 ZINC000114316191 347771444 /nfs/dbraw/zinc/77/14/44/347771444.db2.gz QYAYEQNJXBSCAW-HUUCEWRRSA-N 1 1 288.391 2.880 40 0 CFABMO CO[C@H]1CC[N@@H+](Cc2c[nH]nc2C)C[C@H]1Cc1ccccc1 ZINC000585273362 348738893 /nfs/dbraw/zinc/73/88/93/348738893.db2.gz CWROKGOPRPPCQK-AEFFLSMTSA-N 1 1 299.418 2.798 40 0 CFABMO CO[C@H]1CC[N@H+](Cc2cn[nH]c2C)C[C@H]1Cc1ccccc1 ZINC000585273362 348738895 /nfs/dbraw/zinc/73/88/95/348738895.db2.gz CWROKGOPRPPCQK-AEFFLSMTSA-N 1 1 299.418 2.798 40 0 CFABMO CO[C@H]1CC[N@@H+](Cc2cn[nH]c2C)C[C@H]1Cc1ccccc1 ZINC000585273362 348738897 /nfs/dbraw/zinc/73/88/97/348738897.db2.gz CWROKGOPRPPCQK-AEFFLSMTSA-N 1 1 299.418 2.798 40 0 CFABMO C[N@H+]1CCCC[C@H](CNC(=O)NC[C@@H]2CCC[C@H](F)C2)C1 ZINC000685939056 539988721 /nfs/dbraw/zinc/98/87/21/539988721.db2.gz BXMBZPLOZWNGCA-KFWWJZLASA-N 1 1 299.434 2.546 40 0 CFABMO Cc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCN3c2ncc(C)cn2)o1 ZINC000306130226 540166172 /nfs/dbraw/zinc/16/61/72/540166172.db2.gz IZMZZAPECJEEMO-HZPDHXFCSA-N 1 1 298.390 2.540 40 0 CFABMO Cc1ccc(C[N@H+](CC(C)C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000575422743 540279029 /nfs/dbraw/zinc/27/90/29/540279029.db2.gz WJOFMNGUXNSJJN-INIZCTEOSA-N 1 1 295.448 2.640 40 0 CFABMO CC(=O)O[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC000000111484 371532400 /nfs/dbraw/zinc/53/24/00/371532400.db2.gz CESFOVNVFNXRAX-WWGRRREGSA-N 1 1 261.365 2.849 40 0 CFABMO Cc1cccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2C)c1C ZINC000004305010 371849272 /nfs/dbraw/zinc/84/92/72/371849272.db2.gz WCIWGAPSFOBMTR-GOEBONIOSA-N 1 1 277.408 2.918 40 0 CFABMO COC(=O)[C@@H]1C[N@@H+](C)CC[C@@H]1c1ccc(Cl)cc1 ZINC000013475011 372029907 /nfs/dbraw/zinc/02/99/07/372029907.db2.gz GDFVYUDIAQQDTA-CHWSQXEVSA-N 1 1 267.756 2.548 40 0 CFABMO Cc1cc(C[N@H+]2CCC[C@@H](O)C2)c(C)n1Cc1ccco1 ZINC000013568250 372034160 /nfs/dbraw/zinc/03/41/60/372034160.db2.gz KYZYJUOMRVDTEY-MRXNPFEDSA-N 1 1 288.391 2.703 40 0 CFABMO Cn1cncc1C[N@H+]1CCC[C@@H](c2cc3cccnc3[nH]2)C1 ZINC000019291833 372154726 /nfs/dbraw/zinc/15/47/26/372154726.db2.gz JJRFXNCHBIWKFJ-CQSZACIVSA-N 1 1 295.390 2.676 40 0 CFABMO C[NH+]1CCN(CSc2nc3ccccc3s2)CC1 ZINC000019366394 372156628 /nfs/dbraw/zinc/15/66/28/372156628.db2.gz WKQRCGCGJLTCSZ-UHFFFAOYSA-N 1 1 279.434 2.593 40 0 CFABMO c1cnc([C@@H]2CCC[N@H+](Cc3ccc4c(c3)OCO4)C2)cn1 ZINC000019345756 372156660 /nfs/dbraw/zinc/15/66/60/372156660.db2.gz HPERNZVJVRDLLH-CQSZACIVSA-N 1 1 297.358 2.585 40 0 CFABMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc2ccccc2n1 ZINC000019575132 372175607 /nfs/dbraw/zinc/17/56/07/372175607.db2.gz JFSAATSINZRPLA-RHSMWYFYSA-N 1 1 281.403 2.903 40 0 CFABMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1cc(F)ccc1F ZINC000019575078 372176729 /nfs/dbraw/zinc/17/67/29/372176729.db2.gz DOUVFOWPBNBIAS-RISCZKNCSA-N 1 1 266.335 2.633 40 0 CFABMO CC(C)(C)OC(=O)N1CC[NH2+][C@@H](c2cccs2)C1 ZINC000019850407 372200146 /nfs/dbraw/zinc/20/01/46/372200146.db2.gz NSUDSXYQBVEAOK-SNVBAGLBSA-N 1 1 268.382 2.630 40 0 CFABMO CCOc1ccccc1[C@H](CN)[N@@H+]1CCC[C@H](C)C1 ZINC000036092742 372556013 /nfs/dbraw/zinc/55/60/13/372556013.db2.gz BIRDXGURJZQORM-ZFWWWQNUSA-N 1 1 262.397 2.817 40 0 CFABMO CCOc1ccccc1[C@H](CN)[N@H+]1CCC[C@H](C)C1 ZINC000036092742 372556020 /nfs/dbraw/zinc/55/60/20/372556020.db2.gz BIRDXGURJZQORM-ZFWWWQNUSA-N 1 1 262.397 2.817 40 0 CFABMO Cc1nnc([C@H]2CC[N@@H+](Cc3cnc4ccccc4c3)C2)o1 ZINC000049169168 373273275 /nfs/dbraw/zinc/27/32/75/373273275.db2.gz LLYOKKLDAFZMLS-HNNXBMFYSA-N 1 1 294.358 2.916 40 0 biogenic,in-vitro CFABMO Cc1nnc([C@H]2CC[N@@H+](Cc3ccc(F)cc3)C2)o1 ZINC000049169196 373273323 /nfs/dbraw/zinc/27/33/23/373273323.db2.gz GRWDAJWJNNUSPB-LBPRGKRZSA-N 1 1 261.300 2.507 40 0 biogenic,in-vitro CFABMO Cc1nnc([C@H]2CC[N@@H+](Cc3c[nH]c4ccccc34)C2)o1 ZINC000049169206 373273669 /nfs/dbraw/zinc/27/36/69/373273669.db2.gz QXAKVHJXXZFYCW-LBPRGKRZSA-N 1 1 282.347 2.849 40 0 biogenic,in-vitro CFABMO OC[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000051886620 373415765 /nfs/dbraw/zinc/41/57/65/373415765.db2.gz BBXGOEVDVDIPJK-SECBINFHSA-N 1 1 260.164 2.808 40 0 CFABMO OC[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000051886620 373415776 /nfs/dbraw/zinc/41/57/76/373415776.db2.gz BBXGOEVDVDIPJK-SECBINFHSA-N 1 1 260.164 2.808 40 0 CFABMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1CC1=Cc2ccccc2OC1 ZINC000072324514 374245493 /nfs/dbraw/zinc/24/54/93/374245493.db2.gz RARMCYJKNMCIKH-WMLDXEAASA-N 1 1 284.403 2.631 40 0 CFABMO C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2)C1 ZINC000082324603 374736011 /nfs/dbraw/zinc/73/60/11/374736011.db2.gz VIPFVTVHVOHXRM-SNVBAGLBSA-N 1 1 252.745 2.620 40 0 CFABMO C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000082332598 374737054 /nfs/dbraw/zinc/73/70/54/374737054.db2.gz GXNCXRIOHPCFRG-JTQLQIEISA-N 1 1 286.297 2.986 40 0 CFABMO COCc1cncc2c1CC[N@H+](Cc1cccs1)C2 ZINC000096189269 375474325 /nfs/dbraw/zinc/47/43/25/375474325.db2.gz VBJGLMRVIHPIEI-UHFFFAOYSA-N 1 1 274.389 2.848 40 0 CFABMO COCc1cncc2c1CC[N@@H+](Cc1cccs1)C2 ZINC000096189269 375474334 /nfs/dbraw/zinc/47/43/34/375474334.db2.gz VBJGLMRVIHPIEI-UHFFFAOYSA-N 1 1 274.389 2.848 40 0 CFABMO CN1CC[N@H+](Cc2ccsc2)Cc2cccnc21 ZINC000096198780 375476726 /nfs/dbraw/zinc/47/67/26/375476726.db2.gz QBQPRPZPFKWTDO-UHFFFAOYSA-N 1 1 259.378 2.595 40 0 CFABMO CN1CC[N@@H+](Cc2ccsc2)Cc2cccnc21 ZINC000096198780 375476731 /nfs/dbraw/zinc/47/67/31/375476731.db2.gz QBQPRPZPFKWTDO-UHFFFAOYSA-N 1 1 259.378 2.595 40 0 CFABMO C[N@H+]1CCCC[C@]12CCCN(Cc1cccnc1)C2 ZINC000096217567 375479034 /nfs/dbraw/zinc/47/90/34/375479034.db2.gz BTHYKMLGLYSEDA-MRXNPFEDSA-N 1 1 259.397 2.532 40 0 CFABMO COc1cccc(C[NH2+]Cc2ccn(CC(F)(F)F)n2)c1 ZINC000256050410 190003211 /nfs/dbraw/zinc/00/32/11/190003211.db2.gz DXVZNBHYTGWQDZ-UHFFFAOYSA-N 1 1 299.296 2.744 40 0 CFABMO Cn1nc(C[NH2+]Cc2cccs2)cc1C(F)(F)F ZINC000256051923 190003821 /nfs/dbraw/zinc/00/38/21/190003821.db2.gz LBXZFWKKBKTMHT-UHFFFAOYSA-N 1 1 275.299 2.790 40 0 CFABMO c1ccc(C[C@H]2CCC[N@H+](CC3CCOCC3)C2)nc1 ZINC000257206547 190011667 /nfs/dbraw/zinc/01/16/67/190011667.db2.gz BDXQVQFPYBTZPR-MRXNPFEDSA-N 1 1 274.408 2.763 40 0 CFABMO CC(C)[N@H+]1CCC[C@@H](Cc2cnc(-c3cn[nH]c3)cn2)C1 ZINC000257204893 190011764 /nfs/dbraw/zinc/01/17/64/190011764.db2.gz AWTFZRHABVVENI-ZDUSSCGKSA-N 1 1 285.395 2.530 40 0 CFABMO Cc1c[nH]c([C@@H]2CC[N@@H+](CCc3ccc(F)cc3)C2)n1 ZINC000257211028 190011926 /nfs/dbraw/zinc/01/19/26/190011926.db2.gz BXFSRFJEYGNTRT-CQSZACIVSA-N 1 1 273.355 2.889 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Cc1cc(-c2cnc(C[C@@H]3CCC[N@H+](C(C)C)C3)cn2)n[nH]1 ZINC000257339561 190037220 /nfs/dbraw/zinc/03/72/20/190037220.db2.gz ZCGZQWDJFNJSET-AWEZNQCLSA-N 1 1 299.422 2.838 40 0 CFABMO Cc1c[nH]c([C@@H]2CCC[N@@H+](CCOc3ccccc3)C2)n1 ZINC000257341941 190037429 /nfs/dbraw/zinc/03/74/29/190037429.db2.gz ZMMUWYXZQIIBEV-OAHLLOKOSA-N 1 1 285.391 2.977 40 0 CFABMO c1cc2n(n1)[C@@H](CCOCC1CC1)C[N@@H+](CC1CCC1)C2 ZINC000306126163 382453246 /nfs/dbraw/zinc/45/32/46/382453246.db2.gz DOPKVTGNFQLZFU-KRWDZBQOSA-N 1 1 289.423 2.857 40 0 CFABMO N[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1OCc1ccccc1 ZINC000218885770 382791260 /nfs/dbraw/zinc/79/12/60/382791260.db2.gz BQZDRKHCINCMRB-XDNAFOTISA-N 1 1 288.435 2.984 40 0 CFABMO O=C1Nc2ccccc2O[C@H]2C[C@@H]1[N@H+](Cc1ccccc1)C2 ZINC000225479411 382816597 /nfs/dbraw/zinc/81/65/97/382816597.db2.gz PNSWZYFFOVIRSE-HOCLYGCPSA-N 1 1 294.354 2.661 40 0 biogenic,in-vitro CFABMO O=C1Nc2ccccc2O[C@H]2C[C@@H]1[N@@H+](Cc1ccccc1)C2 ZINC000225479411 382816599 /nfs/dbraw/zinc/81/65/99/382816599.db2.gz PNSWZYFFOVIRSE-HOCLYGCPSA-N 1 1 294.354 2.661 40 0 biogenic,in-vitro CFABMO CCO[C@H]1Cn2cccc2C[N@H+](Cc2scnc2C)C1 ZINC000248020527 383208182 /nfs/dbraw/zinc/20/81/82/383208182.db2.gz IRBLFYDSWODLOX-CQSZACIVSA-N 1 1 291.420 2.674 40 0 CFABMO CCO[C@H]1Cn2cccc2C[N@@H+](Cc2scnc2C)C1 ZINC000248020527 383208188 /nfs/dbraw/zinc/20/81/88/383208188.db2.gz IRBLFYDSWODLOX-CQSZACIVSA-N 1 1 291.420 2.674 40 0 CFABMO CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccc(C)o1)CCO2 ZINC000248091400 383210300 /nfs/dbraw/zinc/21/03/00/383210300.db2.gz LOXPPJGMBJZRCJ-DOTOQJQBSA-N 1 1 293.407 2.996 40 0 CFABMO CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1ccc(C)o1)CCO2 ZINC000248091400 383210303 /nfs/dbraw/zinc/21/03/03/383210303.db2.gz LOXPPJGMBJZRCJ-DOTOQJQBSA-N 1 1 293.407 2.996 40 0 CFABMO COCC[C@H]1CCOC12C[NH+](Cc1sccc1C)C2 ZINC000253599763 383464443 /nfs/dbraw/zinc/46/44/43/383464443.db2.gz UDICAALKAGSUKE-ZDUSSCGKSA-N 1 1 281.421 2.684 40 0 CFABMO C[N@@H+](Cc1ccncc1)[C@H]1CCCN(c2ccccn2)C1 ZINC000257205136 383493613 /nfs/dbraw/zinc/49/36/13/383493613.db2.gz AXVGNLNPBNLUKQ-INIZCTEOSA-N 1 1 282.391 2.577 40 0 CFABMO Cc1c[nH]nc1C[C@@H]1CCCN(c2cccc(C)[nH+]2)C1 ZINC000257336510 383495122 /nfs/dbraw/zinc/49/51/22/383495122.db2.gz YOTYQVKARNVMPV-AWEZNQCLSA-N 1 1 270.380 2.881 40 0 CFABMO CCc1ccc([C@@H]2[C@H]([NH3+])C(=O)N2c2cccc(F)c2)cc1 ZINC000072227650 256703628 /nfs/dbraw/zinc/70/36/28/256703628.db2.gz DGVDVBRSIKTQSD-JKSUJKDBSA-N 1 1 284.334 2.803 40 0 CFABMO Cc1ccc(CN2C[C@H]3C[C@H](C[N@@H+](C)C(C)C)O[C@H]3C2)o1 ZINC000096251653 256834673 /nfs/dbraw/zinc/83/46/73/256834673.db2.gz VRDOBUHDIQLNJE-OIISXLGYSA-N 1 1 292.423 2.518 40 0 CFABMO Cc1ccc(CN2C[C@H]3C[C@H](C[N@H+](C)C(C)C)O[C@H]3C2)o1 ZINC000096251653 256834674 /nfs/dbraw/zinc/83/46/74/256834674.db2.gz VRDOBUHDIQLNJE-OIISXLGYSA-N 1 1 292.423 2.518 40 0 CFABMO CC(=O)N1CCCC[C@@H]1c1c[nH+]c(N(C)C)cc1C ZINC000072218715 393644862 /nfs/dbraw/zinc/64/48/62/393644862.db2.gz PAENZJNHPCPCOC-CQSZACIVSA-N 1 1 261.369 2.530 40 0 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C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H](O)COc1ccccc1F ZINC000006468232 170203550 /nfs/dbraw/zinc/20/35/50/170203550.db2.gz SYZNNDXAQKBPAB-MJBXVCDLSA-N 1 1 281.371 2.828 40 0 CFABMO COc1cc(C=O)ccc1OCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000009261307 170369319 /nfs/dbraw/zinc/36/93/19/170369319.db2.gz UHWHRUXWSVWVIU-OKILXGFUSA-N 1 1 291.391 2.864 40 0 CFABMO C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(Cl)cc2)C1 ZINC000009876620 170388263 /nfs/dbraw/zinc/38/82/63/170388263.db2.gz XQFLWSBQSUWLRW-NSHDSACASA-N 1 1 281.787 2.803 40 0 CFABMO Cc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)s1 ZINC000072324476 176369776 /nfs/dbraw/zinc/36/97/76/176369776.db2.gz PBPRGBZWHZTRBD-AAEUAGOBSA-N 1 1 250.411 2.725 40 0 CFABMO Cc1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)s1 ZINC000072324648 176369817 /nfs/dbraw/zinc/36/98/17/176369817.db2.gz PBPRGBZWHZTRBD-DGCLKSJQSA-N 1 1 250.411 2.725 40 0 CFABMO Cc1nc(Nc2ccccn2)cc([C@@H]2CCC[N@@H+]2C)n1 ZINC000072360105 176377123 /nfs/dbraw/zinc/37/71/23/176377123.db2.gz XRMPCNVFBQAGMI-ZDUSSCGKSA-N 1 1 269.352 2.690 40 0 CFABMO c1ccc([C@H]2CCC[N@H+](Cc3ccncc3)C2)nc1 ZINC000072363800 176378064 /nfs/dbraw/zinc/37/80/64/176378064.db2.gz LGLLGQNIMCLDNV-HNNXBMFYSA-N 1 1 253.349 2.856 40 0 CFABMO CC[N@H+]1CCC[C@H](c2cc(Nc3ncccn3)nc(C)n2)C1 ZINC000072363444 176378417 /nfs/dbraw/zinc/37/84/17/176378417.db2.gz GSTXBHWKDDDLLY-ZDUSSCGKSA-N 1 1 298.394 2.518 40 0 CFABMO C[N@H+]1CCC[C@@H]1c1cccc(Nc2cccc(C(N)=O)c2)n1 ZINC000072365281 176380793 /nfs/dbraw/zinc/38/07/93/176380793.db2.gz DHYGYCCMGMQLCM-OAHLLOKOSA-N 1 1 296.374 2.691 40 0 CFABMO C[N@H+]1CCCC[C@@H]1c1cncc(NCCc2ccccn2)n1 ZINC000072366325 176380896 /nfs/dbraw/zinc/38/08/96/176380896.db2.gz NOVPYBWMLXGTGH-MRXNPFEDSA-N 1 1 297.406 2.683 40 0 CFABMO COc1cccc(-c2nccc([C@@H]3CCC[N@H+]3C)n2)c1 ZINC000072376467 176385306 /nfs/dbraw/zinc/38/53/06/176385306.db2.gz WWHHPRIYMVUYBR-HNNXBMFYSA-N 1 1 269.348 2.919 40 0 CFABMO c1cn(-c2cncc([C@H]3CCC[N@@H+]3C3CCCC3)n2)cn1 ZINC000072378704 176386028 /nfs/dbraw/zinc/38/60/28/176386028.db2.gz 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185006793 /nfs/dbraw/zinc/00/67/93/185006793.db2.gz CAYPWKGHJHFEGU-GFCCVEGCSA-N 1 1 272.283 2.560 40 0 CFABMO c1cc(C[N@@H+]2CCC3(CN(Cc4ccccn4)C3)C2)cs1 ZINC000096046488 185071821 /nfs/dbraw/zinc/07/18/21/185071821.db2.gz BODRSNFWIQDNMO-UHFFFAOYSA-N 1 1 299.443 2.851 40 0 CFABMO c1ccc(CN2CCC[C@]3(CC[N@H+](CC4CC4)C3)C2)nc1 ZINC000096046965 185072433 /nfs/dbraw/zinc/07/24/33/185072433.db2.gz NXGNKVGMDDHSCF-SFHVURJKSA-N 1 1 285.435 2.780 40 0 CFABMO CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccco1)CC2 ZINC000096047489 185072476 /nfs/dbraw/zinc/07/24/76/185072476.db2.gz VGCGCMXCVMEBBU-INIZCTEOSA-N 1 1 276.380 2.647 40 0 CFABMO O=C1C[C@]2(CC[N@@H+](CC3CC3)C2)CN1c1cccc(F)c1 ZINC000096050751 185074137 /nfs/dbraw/zinc/07/41/37/185074137.db2.gz LONABQRVHGUBDU-KRWDZBQOSA-N 1 1 288.366 2.665 40 0 CFABMO Cc1cccc(CN2CC[C@]3(CC[N@@H+](CC4CC4)C3)C2=O)c1 ZINC000096050597 185074670 /nfs/dbraw/zinc/07/46/70/185074670.db2.gz APNMDVSXTJHSTC-IBGZPJMESA-N 1 1 298.430 2.829 40 0 CFABMO Cc1ccc(N2C[C@@]3(CC[N@@H+](CC4CC4)C3)CC2=O)s1 ZINC000096050884 185074813 /nfs/dbraw/zinc/07/48/13/185074813.db2.gz LQVHDNGBTBMCLE-INIZCTEOSA-N 1 1 290.432 2.895 40 0 CFABMO Cc1ccc(CN2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)o1 ZINC000096053793 185075793 /nfs/dbraw/zinc/07/57/93/185075793.db2.gz FODQKOBDPUAGEG-HOTGVXAUSA-N 1 1 297.402 2.547 40 0 CFABMO CCn1cc2c(n1)[C@H](COC)C[N@@H+](Cc1ccc(C)o1)C2 ZINC000096059880 185080568 /nfs/dbraw/zinc/08/05/68/185080568.db2.gz GZOQBRSMSDWNLA-AWEZNQCLSA-N 1 1 289.379 2.550 40 0 CFABMO CCn1cc2c(n1)[C@H](COC)C[N@H+](Cc1ccc(C)o1)C2 ZINC000096059880 185080570 /nfs/dbraw/zinc/08/05/70/185080570.db2.gz GZOQBRSMSDWNLA-AWEZNQCLSA-N 1 1 289.379 2.550 40 0 CFABMO CCn1cc2c(n1)[C@H](COCC1CC1)C[N@H+](CC1CC1)C2 ZINC000096059950 185081313 /nfs/dbraw/zinc/08/13/13/185081313.db2.gz ZMUSRLVFLBAWNH-INIZCTEOSA-N 1 1 289.423 2.639 40 0 CFABMO CC[C@H]1[N@@H+](Cc2ccc(C)o2)CCC[C@]12CCC(=O)N2 ZINC000096070412 185085434 /nfs/dbraw/zinc/08/54/34/185085434.db2.gz ZSLHLGOIRXXZPC-ZBFHGGJFSA-N 1 1 276.380 2.611 40 0 CFABMO CC(=O)N1CCCC[C@]12CCC[N@@H+](Cc1ccc(C)o1)C2 ZINC000096071904 185087364 /nfs/dbraw/zinc/08/73/64/185087364.db2.gz LRMBTYFMJFDBFG-QGZVFWFLSA-N 1 1 290.407 2.955 40 0 CFABMO COC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccsc2)O1 ZINC000096110735 347701358 /nfs/dbraw/zinc/70/13/58/347701358.db2.gz OFLQFFJBUBYVTJ-MGPQQGTHSA-N 1 1 267.394 2.516 40 0 CFABMO CCCCCC[N@H+]1C[C@H](c2ccccc2C)[C@@H](O)[C@H]1CO ZINC000585295373 348738837 /nfs/dbraw/zinc/73/88/37/348738837.db2.gz XAQDIBMROOPXKW-KZNAEPCWSA-N 1 1 291.435 2.696 40 0 CFABMO COC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(C)o1)C2 ZINC000107711046 186188107 /nfs/dbraw/zinc/18/81/07/186188107.db2.gz GKOXGLMHTKTTGE-HOTGVXAUSA-N 1 1 279.380 2.606 40 0 CFABMO Cc1ccc(C[N@H+](CC(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000575422752 540278997 /nfs/dbraw/zinc/27/89/97/540278997.db2.gz WJOFMNGUXNSJJN-MRXNPFEDSA-N 1 1 295.448 2.640 40 0 CFABMO CCCCCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000001675014 371695426 /nfs/dbraw/zinc/69/54/26/371695426.db2.gz ARNAZAJDNPROKU-UHFFFAOYSA-N 1 1 274.408 2.807 40 0 CFABMO Cc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)sc1C ZINC000002730730 371747806 /nfs/dbraw/zinc/74/78/06/371747806.db2.gz ZOXJIZQFBPSHDP-YHWZYXNKSA-N 1 1 278.421 2.720 40 0 CFABMO CC(=O)c1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@H]1C ZINC000004320466 371849158 /nfs/dbraw/zinc/84/91/58/371849158.db2.gz SJVQHTYMNXUMKQ-HIFRSBDPSA-N 1 1 291.391 2.503 40 0 CFABMO OCCC[N@@H+](Cc1cccs1)Cc1ccncc1 ZINC000013568163 372034194 /nfs/dbraw/zinc/03/41/94/372034194.db2.gz AOWHFPIFTKRIPX-UHFFFAOYSA-N 1 1 262.378 2.528 40 0 CFABMO COc1ccc(C[N@@H+](CCO)Cc2cccs2)cc1 ZINC000013997419 372057016 /nfs/dbraw/zinc/05/70/16/372057016.db2.gz HGFXPKSEOVYMAM-UHFFFAOYSA-N 1 1 277.389 2.751 40 0 CFABMO CC(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCC[N@@H+]2C ZINC000019017909 372147287 /nfs/dbraw/zinc/14/72/87/372147287.db2.gz OAUYLPRCQTXKKT-KZNAEPCWSA-N 1 1 286.419 2.875 40 0 CFABMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cccc(F)c1F ZINC000019575785 372176362 /nfs/dbraw/zinc/17/63/62/372176362.db2.gz ZWXRDBBIZKRVRP-AAEUAGOBSA-N 1 1 266.335 2.633 40 0 CFABMO C[C@H](CN1C[C@@H]2CCC[N@H+]2C[C@@H]1C)c1ccccc1 ZINC000019575694 372176704 /nfs/dbraw/zinc/17/67/04/372176704.db2.gz DARBCOQPEQLZDT-VYDXJSESSA-N 1 1 258.409 2.959 40 0 CFABMO C[C@H](C[N@@H+]1C[C@@H]2CCCN2C[C@@H]1C)c1ccccc1 ZINC000019575694 372176709 /nfs/dbraw/zinc/17/67/09/372176709.db2.gz DARBCOQPEQLZDT-VYDXJSESSA-N 1 1 258.409 2.959 40 0 CFABMO C[C@H](C[N@H+]1C[C@@H]2CCCN2C[C@@H]1C)c1ccccc1 ZINC000019575694 372176714 /nfs/dbraw/zinc/17/67/14/372176714.db2.gz DARBCOQPEQLZDT-VYDXJSESSA-N 1 1 258.409 2.959 40 0 CFABMO CC[NH+](CC)CCNCc1cccc(Br)c1 ZINC000019919130 372210210 /nfs/dbraw/zinc/21/02/10/372210210.db2.gz WASQPTRWKKBJIZ-UHFFFAOYSA-N 1 1 285.229 2.881 40 0 CFABMO OC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000026896711 372330614 /nfs/dbraw/zinc/33/06/14/372330614.db2.gz ZHDSKQDEYFYQBV-QZTJIDSGSA-N 1 1 267.372 2.895 40 0 CFABMO COc1ccc2c(c1)[C@@]13CC[N@@H+](C)[C@@H](C2)[C@@H]1CCC(=O)C3 ZINC000027729031 372346877 /nfs/dbraw/zinc/34/68/77/372346877.db2.gz FCJHDGUWJDXJKI-RYQLBKOJSA-N 1 1 285.387 2.562 40 0 biogenic,in-vitro CFABMO O[C@H](c1ccccc1)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000031715964 372415346 /nfs/dbraw/zinc/41/53/46/372415346.db2.gz BQRBHUBJRJBXPF-ZWKOTPCHSA-N 1 1 283.371 2.794 40 0 CFABMO C[C@H]1CCC[C@H]1OC[C@H](O)C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000035093060 372537141 /nfs/dbraw/zinc/53/71/41/372537141.db2.gz ROLPJNXSYMGNIP-AALSBFMBSA-N 1 1 269.429 2.815 40 0 CFABMO C[N@@H+]1CCc2cc3c(c4c2[C@@H]1[C@H](O)c1ccccc1-4)OCO3 ZINC000033913386 372501558 /nfs/dbraw/zinc/50/15/58/372501558.db2.gz NVMGTUCOAQKLLO-IAGOWNOFSA-N 1 1 295.338 2.658 40 0 CFABMO C[N@H+]1CCc2cc3c(c4c2[C@@H]1[C@H](O)c1ccccc1-4)OCO3 ZINC000033913386 372501563 /nfs/dbraw/zinc/50/15/63/372501563.db2.gz NVMGTUCOAQKLLO-IAGOWNOFSA-N 1 1 295.338 2.658 40 0 CFABMO OC[C@H](c1ccc(Br)cc1)[NH+]1CCCCC1 ZINC000041458159 372838858 /nfs/dbraw/zinc/83/88/58/372838858.db2.gz MVJBKSXLOLLQMG-CYBMUJFWSA-N 1 1 284.197 2.968 40 0 CFABMO OC[C@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000047916122 373130536 /nfs/dbraw/zinc/13/05/36/373130536.db2.gz LGOANKKEQQAZRV-JTQLQIEISA-N 1 1 257.736 2.683 40 0 CFABMO OC[C@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000047916122 373130541 /nfs/dbraw/zinc/13/05/41/373130541.db2.gz LGOANKKEQQAZRV-JTQLQIEISA-N 1 1 257.736 2.683 40 0 CFABMO COc1ccc(-n2nnnc2/C=C/[NH+]2CCCCCC2)cc1 ZINC000055135285 373541747 /nfs/dbraw/zinc/54/17/47/373541747.db2.gz MWJIVYXABMCDKI-JLHYYAGUSA-N 1 1 299.378 2.518 40 0 CFABMO FC(F)(F)c1ccc(CNC2CC[NH2+]CC2)cc1 ZINC000061626457 373722881 /nfs/dbraw/zinc/72/28/81/373722881.db2.gz BWDHGEKSEJTXOW-UHFFFAOYSA-N 1 1 258.287 2.547 40 0 CFABMO c1cn(-c2nccnc2[C@H]2CCC[N@@H+]2C2CCCC2)cn1 ZINC000072359232 374245663 /nfs/dbraw/zinc/24/56/63/374245663.db2.gz BMFBPSFUFNLRNI-CQSZACIVSA-N 1 1 283.379 2.742 40 0 CFABMO C[N@H+]1CCC[C@H](C(=O)NCCCc2ccccc2Cl)C1 ZINC000073471497 374343778 /nfs/dbraw/zinc/34/37/78/374343778.db2.gz MDAGRMDIVIDFKX-AWEZNQCLSA-N 1 1 294.826 2.731 40 0 CFABMO CN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cccs1)CC2 ZINC000096217650 375479460 /nfs/dbraw/zinc/47/94/60/375479460.db2.gz FYTYCXDTVBJZIN-OAHLLOKOSA-N 1 1 278.421 2.725 40 0 CFABMO COCC[C@@H]1CO[C@]2(CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000096218258 375479849 /nfs/dbraw/zinc/47/98/49/375479849.db2.gz CJGSUPVBJMPBTM-ZWKOTPCHSA-N 1 1 289.419 2.747 40 0 CFABMO CC[C@@H](C)n1nccc1C[NH2+]Cc1ccnn1C(F)F ZINC000256050595 190003135 /nfs/dbraw/zinc/00/31/35/190003135.db2.gz FRGWVZCVURPFRT-SNVBAGLBSA-N 1 1 283.326 2.736 40 0 CFABMO CCn1nc(C)c(C[NH2+]Cc2ccc(F)cc2)c1F ZINC000256051641 190003632 /nfs/dbraw/zinc/00/36/32/190003632.db2.gz JZMNQMULKCGMNC-UHFFFAOYSA-N 1 1 265.307 2.779 40 0 CFABMO Cc1c[nH]c([C@@H]2CCC[N@@H+](CCC(F)(F)F)C2)n1 ZINC000257200723 190010838 /nfs/dbraw/zinc/01/08/38/190010838.db2.gz AEQOABXQWRHISK-SNVBAGLBSA-N 1 1 261.291 2.850 40 0 CFABMO c1ccc(CC[N@H+]2CCO[C@@H](Cc3cccnc3)C2)cc1 ZINC000257209206 190012284 /nfs/dbraw/zinc/01/22/84/190012284.db2.gz BPJRQDUCRBJTNZ-SFHVURJKSA-N 1 1 282.387 2.568 40 0 CFABMO Cc1nn(C)c(C)c1C[N@H+]1CCC[C@@H](Cc2ccccn2)C1 ZINC000257214968 190013313 /nfs/dbraw/zinc/01/33/13/190013313.db2.gz CODABFCXFYWNDM-INIZCTEOSA-N 1 1 298.434 2.887 40 0 CFABMO Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2ccnc(N)n2)o1 ZINC000257217394 190013682 /nfs/dbraw/zinc/01/36/82/190013682.db2.gz CYTIWDHMNUKFHC-CQSZACIVSA-N 1 1 272.352 2.687 40 0 CFABMO Cc1ccc(C[N@H+]2CCCC[C@@H]2c2ccnc(N)n2)o1 ZINC000257217394 190013683 /nfs/dbraw/zinc/01/36/83/190013683.db2.gz CYTIWDHMNUKFHC-CQSZACIVSA-N 1 1 272.352 2.687 40 0 CFABMO Cc1nccc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000257230118 190016517 /nfs/dbraw/zinc/01/65/17/190016517.db2.gz GAWYJQZJCPODTC-OAHLLOKOSA-N 1 1 268.364 2.560 40 0 CFABMO c1ncc(C[N@H+]2C[C@@H]3C[C@@H](Oc4ccccc4)C[C@@H]3C2)[nH]1 ZINC000257236097 190017739 /nfs/dbraw/zinc/01/77/39/190017739.db2.gz HATGZMXVEUYJKI-HALDLXJZSA-N 1 1 283.375 2.699 40 0 CFABMO c1nc(C[N@@H+]2C[C@@H]3C[C@@H](Oc4ccccc4)C[C@@H]3C2)c[nH]1 ZINC000257236097 190017740 /nfs/dbraw/zinc/01/77/40/190017740.db2.gz HATGZMXVEUYJKI-HALDLXJZSA-N 1 1 283.375 2.699 40 0 CFABMO c1nc(C[N@H+]2C[C@@H]3C[C@@H](Oc4ccccc4)C[C@@H]3C2)c[nH]1 ZINC000257236097 190017741 /nfs/dbraw/zinc/01/77/41/190017741.db2.gz HATGZMXVEUYJKI-HALDLXJZSA-N 1 1 283.375 2.699 40 0 CFABMO CNc1cc([C@H]2CCC[N@H+]2Cc2cccnc2NC)ccn1 ZINC000257266251 190023408 /nfs/dbraw/zinc/02/34/08/190023408.db2.gz MCDRJPFZHCIKLR-OAHLLOKOSA-N 1 1 297.406 2.897 40 0 CFABMO Cc1cc(-c2ncc[nH]2)nc([C@H]2CCC[N@@H+]2CC(C)C)n1 ZINC000257252850 190021212 /nfs/dbraw/zinc/02/12/12/190021212.db2.gz JWICXCAIDXMMJX-CQSZACIVSA-N 1 1 285.395 2.968 40 0 CFABMO Fc1ccc(C[N@H+]2CCC[C@H](c3ccncn3)C2)cc1 ZINC000257256411 190021589 /nfs/dbraw/zinc/02/15/89/190021589.db2.gz KLJSEQYDWVLZOD-AWEZNQCLSA-N 1 1 271.339 2.995 40 0 CFABMO CCn1cc(C[N@H+]2CCC[C@@H](c3n[nH]cc3C)C2)c(C)n1 ZINC000257261822 190022433 /nfs/dbraw/zinc/02/24/33/190022433.db2.gz LIXRIXBXYTVJBY-CQSZACIVSA-N 1 1 287.411 2.623 40 0 CFABMO CNc1cc([C@@H]2CCC[N@H+](Cc3nccs3)C2)ccn1 ZINC000257261283 190022463 /nfs/dbraw/zinc/02/24/63/190022463.db2.gz LGOCPIBHSRQENX-CYBMUJFWSA-N 1 1 288.420 2.959 40 0 CFABMO CNc1cc([C@@H]2CCC[N@@H+](Cc3nccs3)C2)ccn1 ZINC000257261283 190022464 /nfs/dbraw/zinc/02/24/64/190022464.db2.gz LGOCPIBHSRQENX-CYBMUJFWSA-N 1 1 288.420 2.959 40 0 CFABMO Cc1cccc(C[C@@H]2CCC[N@@H+](Cc3cncnc3)C2)n1 ZINC000257262588 190022621 /nfs/dbraw/zinc/02/26/21/190022621.db2.gz LMACROFDHJAITL-HNNXBMFYSA-N 1 1 282.391 2.635 40 0 CFABMO Cc1c[nH]c([C@@H]2C[N@H+](Cc3sccc3C)CCO2)n1 ZINC000257281184 190026109 /nfs/dbraw/zinc/02/61/09/190026109.db2.gz OOALGNDVDBDUIP-LBPRGKRZSA-N 1 1 277.393 2.662 40 0 CFABMO Cc1c[nH]c([C@@H]2C[N@@H+](Cc3sccc3C)CCO2)n1 ZINC000257281184 190026110 /nfs/dbraw/zinc/02/61/10/190026110.db2.gz OOALGNDVDBDUIP-LBPRGKRZSA-N 1 1 277.393 2.662 40 0 CFABMO c1cc(C[N@H+]2C[C@@H]3C[C@@H](Oc4ccccc4)C[C@@H]3C2)n[nH]1 ZINC000257287317 190027130 /nfs/dbraw/zinc/02/71/30/190027130.db2.gz PPKUIEILBSJKNG-HALDLXJZSA-N 1 1 283.375 2.699 40 0 CFABMO c1csc(-c2n[nH]cc2C[N@H+]2CC[C@H](c3cc[nH]n3)C2)c1 ZINC000257316440 190033068 /nfs/dbraw/zinc/03/30/68/190033068.db2.gz VFOVFKXSQXGEBS-NSHDSACASA-N 1 1 299.403 2.851 40 0 CFABMO COc1cc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)ccc1F ZINC000257327881 190034543 /nfs/dbraw/zinc/03/45/43/190034543.db2.gz XDDBERPXRDVVKF-CYBMUJFWSA-N 1 1 289.354 2.937 40 0 CFABMO Cc1c[nH]nc1[C@@H]1CCC[N@@H+](CCOc2ccccc2)C1 ZINC000257326726 190034676 /nfs/dbraw/zinc/03/46/76/190034676.db2.gz WYJIPYSDTJNCHB-OAHLLOKOSA-N 1 1 285.391 2.977 40 0 CFABMO c1ccc(C[N@@H+]2CCOC[C@H](Cc3ccccn3)C2)cc1 ZINC000257326845 190034709 /nfs/dbraw/zinc/03/47/09/190034709.db2.gz WYVIEYPVWTXGPD-QGZVFWFLSA-N 1 1 282.387 2.773 40 0 CFABMO COc1ccc([C@@H]2C[N@H+](Cc3ccncc3)CCN2C)cc1 ZINC000257333894 190035457 /nfs/dbraw/zinc/03/54/57/190035457.db2.gz YDOAVRIBFYPIAY-SFHVURJKSA-N 1 1 297.402 2.579 40 0 CFABMO COc1ccc([C@@H]2C[N@@H+](Cc3ccncc3)CCN2C)cc1 ZINC000257333894 190035458 /nfs/dbraw/zinc/03/54/58/190035458.db2.gz YDOAVRIBFYPIAY-SFHVURJKSA-N 1 1 297.402 2.579 40 0 CFABMO Cc1c2c(cc3c1C[N@H+](Cc1ccccc1)C[C@H]3O)OCO2 ZINC000261828324 190044660 /nfs/dbraw/zinc/04/46/60/190044660.db2.gz KJTCWWDJVAOEAR-MRXNPFEDSA-N 1 1 297.354 2.773 40 0 CFABMO Cc1c2c(cc3c1C[N@@H+](Cc1ccccc1)C[C@H]3O)OCO2 ZINC000261828324 190044661 /nfs/dbraw/zinc/04/46/61/190044661.db2.gz KJTCWWDJVAOEAR-MRXNPFEDSA-N 1 1 297.354 2.773 40 0 CFABMO CC(=O)N1CC[C@@H](C[N@H+](C)C[C@@H]2C(C)=CCC[C@@H]2C)C1 ZINC000191082693 382690547 /nfs/dbraw/zinc/69/05/47/382690547.db2.gz IEDCSKIRYDVMMG-BHYGNILZSA-N 1 1 278.440 2.779 40 0 CFABMO C1CC[C@@H](c2nc([C@@H]3CCCSCC3)no2)[NH2+]C1 ZINC000575415114 382770146 /nfs/dbraw/zinc/77/01/46/382770146.db2.gz RQBKLJMXSZYKAA-MNOVXSKESA-N 1 1 267.398 2.885 40 0 CFABMO CC(C)(C)OC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000228961945 382849843 /nfs/dbraw/zinc/84/98/43/382849843.db2.gz NCORCCNGHBEPQG-OAHLLOKOSA-N 1 1 291.391 2.619 40 0 CFABMO CCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225573755 382818647 /nfs/dbraw/zinc/81/86/47/382818647.db2.gz LIISVDBQOURQLN-UHFFFAOYSA-N 1 1 298.789 2.827 40 0 CFABMO CC[C@H](C)[N@H+]1CC[C@]2(C1)CCCN(c1ccc(C)nn1)C2 ZINC000247924453 383200993 /nfs/dbraw/zinc/20/09/93/383200993.db2.gz OUSXKZPZYZMLOP-RDJZCZTQSA-N 1 1 288.439 2.876 40 0 CFABMO c1cc2n(c1)C[C@@H](OCc1cccnc1)C[N@H+](CC1CC1)C2 ZINC000253588458 383464044 /nfs/dbraw/zinc/46/40/44/383464044.db2.gz DJLMEPYIXFDMMW-SFHVURJKSA-N 1 1 297.402 2.694 40 0 CFABMO Cc1cccc(N2CCC[C@@H](N(C)C(=O)CC3CC3)C2)[nH+]1 ZINC000257228155 383493317 /nfs/dbraw/zinc/49/33/17/383493317.db2.gz FSOHPTWPRBTEKY-OAHLLOKOSA-N 1 1 287.407 2.617 40 0 CFABMO Cn1nccc1C[N@H+]1C[C@@H]2C[C@@H](Oc3ccccc3)C[C@@H]2C1 ZINC000257329382 383495478 /nfs/dbraw/zinc/49/54/78/383495478.db2.gz XJTLYRVNCGLWEL-HWWDLCQESA-N 1 1 297.402 2.710 40 0 CFABMO CC(C)C[N@H+]1CCC[C@@H]1c1cccnc1N1CCOCC1 ZINC000072216225 256711075 /nfs/dbraw/zinc/71/10/75/256711075.db2.gz LUVBYXBQKCXKQL-MRXNPFEDSA-N 1 1 289.423 2.711 40 0 CFABMO C[C@H]1CCC[N@@H+](CC(=O)N2CCCc3ccccc32)C1 ZINC000000411572 393449188 /nfs/dbraw/zinc/44/91/88/393449188.db2.gz QPGREPGTMYXNGJ-AWEZNQCLSA-N 1 1 272.392 2.698 40 0 CFABMO CC(C)CO[C@@H](C[NH+](C)C)C(Cl)(Cl)Cl ZINC000001859262 393452120 /nfs/dbraw/zinc/45/21/20/393452120.db2.gz LGXGABYJTWHQDQ-QMMMGPOBSA-N 1 1 262.608 2.959 40 0 CFABMO Cc1cc(N2CCCC2)[nH+]cc1[C@H]1CCCCN1C=O ZINC000072218893 393646345 /nfs/dbraw/zinc/64/63/45/393646345.db2.gz OZYUFBHIOHUWKQ-OAHLLOKOSA-N 1 1 273.380 2.674 40 0 CFABMO CC[N@H+]1CCCC[C@@H]1c1cnc(N2CCOCC2)c(C)c1 ZINC000072219356 393646627 /nfs/dbraw/zinc/64/66/27/393646627.db2.gz IYMNQPLFMUBBBM-MRXNPFEDSA-N 1 1 289.423 2.774 40 0 CFABMO [NH3+][C@@H]1C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1Cl ZINC000072227231 393647789 /nfs/dbraw/zinc/64/77/89/393647789.db2.gz GRSSHRTUTBNXNL-KBPBESRZSA-N 1 1 290.725 2.894 40 0 CFABMO [NH3+][C@H]1C(=O)N(c2cccc(F)c2)[C@H]1c1cccc(Cl)c1 ZINC000072227641 393648955 /nfs/dbraw/zinc/64/89/55/393648955.db2.gz OYTSYIIIGBFYJT-KGLIPLIRSA-N 1 1 290.725 2.894 40 0 CFABMO [NH3+][C@H]1C(=O)N(c2cccc(F)c2)[C@H]1c1ccccc1Cl ZINC000072227637 393649076 /nfs/dbraw/zinc/64/90/76/393649076.db2.gz IUPWLSVKKDFIFC-KGLIPLIRSA-N 1 1 290.725 2.894 40 0 CFABMO [NH3+][C@H]1C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(Cl)cc1 ZINC000072227645 393649110 /nfs/dbraw/zinc/64/91/10/393649110.db2.gz MRFSIQKXUOCXNM-KGLIPLIRSA-N 1 1 290.725 2.894 40 0 CFABMO [NH3+][C@@H]1C(=O)N(Cc2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000072228159 393650384 /nfs/dbraw/zinc/65/03/84/393650384.db2.gz DRXZGKTXHJPOLL-GJZGRUSLSA-N 1 1 286.762 2.751 40 0 CFABMO Cc1ccc([C@@H]([NH3+])c2nnc(-c3ccc(F)cc3)[nH]2)cc1 ZINC000095534067 393812849 /nfs/dbraw/zinc/81/28/49/393812849.db2.gz NDWIXLRDUBYLKE-CQSZACIVSA-N 1 1 282.322 2.967 40 0 CFABMO CC(C)N1C[C@@]2(CCC[N@@H+](CCc3ccccc3)C2)C1=O ZINC000585099342 395100050 /nfs/dbraw/zinc/10/00/50/395100050.db2.gz GLIZFSZGGZUPBE-SFHVURJKSA-N 1 1 286.419 2.562 40 0 CFABMO C[N@@H+]1[C@@H]2CC[C@H]1CC(OC(=O)/C=C\c1ccccc1)C2 ZINC000004772991 170014518 /nfs/dbraw/zinc/01/45/18/170014518.db2.gz WTIWQHQPUWFUPX-ZDNLYPJASA-N 1 1 271.360 2.868 40 0 CFABMO Nc1cccc(OC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000005552252 170112601 /nfs/dbraw/zinc/11/26/01/170112601.db2.gz HDXSSQBGRXLIOW-BBRMVZONSA-N 1 1 260.381 2.912 40 0 CFABMO O=C(OC[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1O ZINC000005636737 170122731 /nfs/dbraw/zinc/12/27/31/170122731.db2.gz FPBZOZUALKCMGP-HIFRSBDPSA-N 1 1 289.375 2.814 40 0 CFABMO COc1ccc(CN[C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000005730020 170134404 /nfs/dbraw/zinc/13/44/04/170134404.db2.gz GDGJJJMFINQFHI-XEZPLFJOSA-N 1 1 262.397 2.514 40 0 CFABMO COc1ccc(CN[C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000005730020 170134405 /nfs/dbraw/zinc/13/44/05/170134405.db2.gz GDGJJJMFINQFHI-XEZPLFJOSA-N 1 1 262.397 2.514 40 0 CFABMO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C)C[C@@H]2C)cc1 ZINC000005730020 170134407 /nfs/dbraw/zinc/13/44/07/170134407.db2.gz GDGJJJMFINQFHI-XEZPLFJOSA-N 1 1 262.397 2.514 40 0 CFABMO c1ccc(C[N@H+]2CC[C@H](c3nc4cccnc4[nH]3)C2)cc1 ZINC000035442890 172202950 /nfs/dbraw/zinc/20/29/50/172202950.db2.gz AFVFMRNABIHVBU-AWEZNQCLSA-N 1 1 278.359 2.947 40 0 biogenic,in-vitro CFABMO CC(C)[C@H]([NH3+])c1nc2ccc(Br)cc2[nH]1 ZINC000037441198 173211478 /nfs/dbraw/zinc/21/14/78/173211478.db2.gz NGMMILUGFRSYMD-JTQLQIEISA-N 1 1 268.158 2.981 40 0 CFABMO O=C(NC1CC1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000038850078 174157892 /nfs/dbraw/zinc/15/78/92/174157892.db2.gz VFBOLJZCSUJOIV-ZDUSSCGKSA-N 1 1 292.810 2.831 40 0 CFABMO c1coc(-c2nnc([C@H]3CC[N@H+](CC4CC4)C3)o2)c1 ZINC000049169541 175466395 /nfs/dbraw/zinc/46/63/95/175466395.db2.gz YWVOBVHNVJCFSR-NSHDSACASA-N 1 1 259.309 2.529 40 0 biogenic,in-vitro CFABMO CCOc1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1 ZINC000072324433 176369849 /nfs/dbraw/zinc/36/98/49/176369849.db2.gz KMWWJLGVBJSXFB-HOCLYGCPSA-N 1 1 274.408 2.754 40 0 CFABMO COc1cccc(-c2nccnc2[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000072358367 176376488 /nfs/dbraw/zinc/37/64/88/176376488.db2.gz CLQUUDQEHXXULP-CQSZACIVSA-N 1 1 283.375 2.961 40 0 CFABMO c1ccc([C@@H]2CCC[N@H+](Cc3ccncc3)C2)nc1 ZINC000072363799 176378185 /nfs/dbraw/zinc/37/81/85/176378185.db2.gz LGLLGQNIMCLDNV-OAHLLOKOSA-N 1 1 253.349 2.856 40 0 CFABMO Cc1cccc([C@@H]2CCC[N@@H+](Cc3nccn3C)C2)n1 ZINC000072364309 176379527 /nfs/dbraw/zinc/37/95/27/176379527.db2.gz JDLIZMLOHRQLOE-CQSZACIVSA-N 1 1 270.380 2.503 40 0 CFABMO Cc1cccc([C@@H]2CCC[N@H+](Cc3nccn3C)C2)n1 ZINC000072364309 176379529 /nfs/dbraw/zinc/37/95/29/176379529.db2.gz JDLIZMLOHRQLOE-CQSZACIVSA-N 1 1 270.380 2.503 40 0 CFABMO CC(C)[N@H+]1CCC[C@@H]1CCc1cc(-c2cncnc2)ncn1 ZINC000072365398 176380463 /nfs/dbraw/zinc/38/04/63/176380463.db2.gz MCRHJOZMENDLRJ-MRXNPFEDSA-N 1 1 297.406 2.739 40 0 CFABMO CC[N@@H+]1CCCC[C@H]1c1nc(C)cc(Nc2cnccn2)n1 ZINC000072383493 176388671 /nfs/dbraw/zinc/38/86/71/176388671.db2.gz YCQLHPSCGMXGDZ-ZDUSSCGKSA-N 1 1 298.394 2.866 40 0 CFABMO 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ZINC000257341917 190036891 /nfs/dbraw/zinc/03/68/91/190036891.db2.gz ZMLFEKCQVYURQN-CYBMUJFWSA-N 1 1 272.314 2.928 40 0 CFABMO N[C@H]1CCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1OCc1ccccc1 ZINC000218885975 382791286 /nfs/dbraw/zinc/79/12/86/382791286.db2.gz BQZDRKHCINCMRB-MLHJIOFPSA-N 1 1 288.435 2.984 40 0 CFABMO Cc1cccc(CO[C@@H]2CCOC3(C[NH+](C(C)C)C3)C2)n1 ZINC000247895482 383199050 /nfs/dbraw/zinc/19/90/50/383199050.db2.gz XEVPLBNYJCRCOS-MRXNPFEDSA-N 1 1 290.407 2.548 40 0 CFABMO COCC[N@@H+]1CCCC12CCN(CCC(F)(F)F)CC2 ZINC000096075215 285014185 /nfs/dbraw/zinc/01/41/85/285014185.db2.gz GCBKAXUYSBXFRD-UHFFFAOYSA-N 1 1 294.361 2.516 40 0 CFABMO COCC[N@H+]1CCCC12CCN(CCC(F)(F)F)CC2 ZINC000096075215 285014186 /nfs/dbraw/zinc/01/41/86/285014186.db2.gz GCBKAXUYSBXFRD-UHFFFAOYSA-N 1 1 294.361 2.516 40 0 CFABMO c1cc2n(c1)C[C@H](OCc1ccncc1)C[N@H+](CC1CC1)C2 ZINC000253588379 383464024 /nfs/dbraw/zinc/46/40/24/383464024.db2.gz APHGROSVTCZNOU-GOSISDBHSA-N 1 1 297.402 2.694 40 0 CFABMO N[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1OCc1ccccc1 ZINC000252514272 383417139 /nfs/dbraw/zinc/41/71/39/383417139.db2.gz BQZDRKHCINCMRB-VSZNYVQBSA-N 1 1 288.435 2.984 40 0 CFABMO Cc1[nH+]c(N2CCCCC2)ccc1[C@@H]1CCCN1C=O ZINC000072219267 256707674 /nfs/dbraw/zinc/70/76/74/256707674.db2.gz AZKVIIBOYZDFOX-HNNXBMFYSA-N 1 1 273.380 2.674 40 0 CFABMO Cc1ccc(C[N@H+]2CCc3ncnc(C)c3CC2)cc1 ZINC000096254952 256835404 /nfs/dbraw/zinc/83/54/04/256835404.db2.gz OVJOWHWBRKDRLT-UHFFFAOYSA-N 1 1 267.376 2.694 40 0 CFABMO O[C@@H]1C[C@H]2CCC[N@@H+]3CCc4c5ccccc5n1c4[C@@H]23 ZINC000006117846 285335341 /nfs/dbraw/zinc/33/53/41/285335341.db2.gz KOIGYXJOGRVNIS-HFBAOOFYSA-N 1 1 268.360 2.845 40 0 in-man CFABMO O[C@@H]1C[C@H]2CCC[N@H+]3CCc4c5ccccc5n1c4[C@@H]23 ZINC000006117846 285335347 /nfs/dbraw/zinc/33/53/47/285335347.db2.gz KOIGYXJOGRVNIS-HFBAOOFYSA-N 1 1 268.360 2.845 40 0 in-man CFABMO CCCN(Cc1ccccn1)C[C@H]1CCC[N@H+]1CC ZINC000023247768 393489975 /nfs/dbraw/zinc/48/99/75/393489975.db2.gz FNKYKDPXUFWVCQ-MRXNPFEDSA-N 1 1 261.413 2.778 40 0 CFABMO [NH3+][C@@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000072227238 393647794 /nfs/dbraw/zinc/64/77/94/393647794.db2.gz PFHHMWVHICKURW-UONOGXRCSA-N 1 1 290.725 2.894 40 0 CFABMO CCc1ccc([C@@H]2[C@@H]([NH3+])C(=O)N2c2cccc(OC)c2)cc1 ZINC000072227764 393648483 /nfs/dbraw/zinc/64/84/83/393648483.db2.gz ZWQWVPJORRWVLU-IAGOWNOFSA-N 1 1 296.370 2.673 40 0 CFABMO CCc1ccc([C@@H]2[C@@H]([NH3+])C(=O)N2c2ccc(C)cc2)cc1 ZINC000072227484 393648765 /nfs/dbraw/zinc/64/87/65/393648765.db2.gz TWLOXTAEEKKIFT-IAGOWNOFSA-N 1 1 280.371 2.973 40 0 CFABMO Cc1ccc([C@H]2[C@H]([NH3+])C(=O)N2c2cccc(F)c2)cc1 ZINC000072227615 393649034 /nfs/dbraw/zinc/64/90/34/393649034.db2.gz WOMPVWRUFANJAV-GJZGRUSLSA-N 1 1 270.307 2.549 40 0 CFABMO CCOc1ccc(N2C(=O)[C@H]([NH3+])[C@@H]2c2ccccc2)cc1 ZINC000072228057 393649146 /nfs/dbraw/zinc/64/91/46/393649146.db2.gz BHUIMJLUHZKHOX-CVEARBPZSA-N 1 1 282.343 2.501 40 0 CFABMO CC[N@H+]1CCC[C@@H](Nc2cncc(Br)c2)C1 ZINC000096510505 393835078 /nfs/dbraw/zinc/83/50/78/393835078.db2.gz NNCFNSURBYTISG-LLVKDONJSA-N 1 1 284.201 2.740 40 0 CFABMO CC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccsc3)C2)C1 ZINC000096071587 393815938 /nfs/dbraw/zinc/81/59/38/393815938.db2.gz UHZOXPMPGXAUKE-HNNXBMFYSA-N 1 1 278.421 2.583 40 0 CFABMO CCC(=O)N1N=C2[C@@H]([C@H]1c1ccco1)[C@@H](C)[N@@H+](C)C[C@@H]2C ZINC000101236058 393847827 /nfs/dbraw/zinc/84/78/27/393847827.db2.gz URLGZASRDBGECB-FJXFWJLJSA-N 1 1 289.379 2.515 40 0 CFABMO CC[C@H](C)N1C[C@]2(CCC[N@H+]([C@@H](C)CC)C2)C1=O ZINC000585099309 395100419 /nfs/dbraw/zinc/10/04/19/395100419.db2.gz CMLCFZXWVNFPCH-KCQAQPDRSA-N 1 1 252.402 2.508 40 0 CFABMO C[N@H+]1CCC(c2ccccc2)(c2ccccc2)[C@H](O)C1 ZINC000005699651 170130454 /nfs/dbraw/zinc/13/04/54/170130454.db2.gz RJCOJCFNNDCSOK-QGZVFWFLSA-N 1 1 267.372 2.669 40 0 CFABMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H](O)COc1ccc(F)cc1 ZINC000006008041 170167649 /nfs/dbraw/zinc/16/76/49/170167649.db2.gz CEASHOGVRDNAAP-VNHYZAJKSA-N 1 1 281.371 2.828 40 0 CFABMO O=C([C@@H]1C[C@H]2CC[C@@H]1C2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020470450 171212800 /nfs/dbraw/zinc/21/28/00/171212800.db2.gz KIPYJNUXPGSPLR-RCCFBDPRSA-N 1 1 298.430 2.767 40 0 CFABMO CCOc1ccc(CNCC[NH+](CC)CC)cc1OCC ZINC000022076052 171352263 /nfs/dbraw/zinc/35/22/63/171352263.db2.gz DWZZKXZBGIDYBW-UHFFFAOYSA-N 1 1 294.439 2.915 40 0 CFABMO CCN1CC[NH2+][C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O ZINC000072352834 176374110 /nfs/dbraw/zinc/37/41/10/176374110.db2.gz KQXBTFFXDHTAKL-SFHVURJKSA-N 1 1 294.398 2.716 40 0 CFABMO Cc1ccc(-c2ccc(C[C@H]3[NH2+]CCN(C)C3=O)cc2)cc1 ZINC000072352889 176374397 /nfs/dbraw/zinc/37/43/97/176374397.db2.gz CHNYSPQMXGKNGY-GOSISDBHSA-N 1 1 294.398 2.635 40 0 CFABMO Cc1cc(Nc2ncccn2)cc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000072354272 176375267 /nfs/dbraw/zinc/37/52/67/176375267.db2.gz BICBSWDWRZJBIN-CYBMUJFWSA-N 1 1 283.379 2.733 40 0 CFABMO Cn1cc(C[N@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cn1 ZINC000072367983 176382160 /nfs/dbraw/zinc/38/21/60/176382160.db2.gz YKGVXZZEXJBHLP-CQSZACIVSA-N 1 1 295.390 2.676 40 0 CFABMO Cc1cccnc1Nc1nccnc1[C@@H]1CCC[N@H+](C)C1 ZINC000072367709 176382600 /nfs/dbraw/zinc/38/26/00/176382600.db2.gz PAPBXSWAAJUKKE-CYBMUJFWSA-N 1 1 283.379 2.733 40 0 CFABMO COc1ccc(-c2nccc([C@H]3CCC[N@H+]3C)n2)cc1 ZINC000072376468 176385248 /nfs/dbraw/zinc/38/52/48/176385248.db2.gz SHXUEXLHUPHMPP-OAHLLOKOSA-N 1 1 269.348 2.919 40 0 CFABMO c1ccc(C[C@@H]2CCC[N@@H+](Cc3ccccn3)C2)nc1 ZINC000072385079 176389379 /nfs/dbraw/zinc/38/93/79/176389379.db2.gz HFKUFNWLCYAPIN-HNNXBMFYSA-N 1 1 267.376 2.931 40 0 CFABMO COc1ccc2[nH]c(C[N@H+]3CCC[C@@H](CO)C3)c(C)c2c1 ZINC000072397811 176395419 /nfs/dbraw/zinc/39/54/19/176395419.db2.gz KKXAXFFGYJHZDY-CYBMUJFWSA-N 1 1 288.391 2.689 40 0 CFABMO CC[N@@H+](C)Cc1ccc(I)cc1 ZINC000083851288 276075514 /nfs/dbraw/zinc/07/55/14/276075514.db2.gz ADHSFZQKKQUEAI-UHFFFAOYSA-N 1 1 275.133 2.743 40 0 CFABMO C[N@H+]1CC[C@H](c2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000049169417 277173969 /nfs/dbraw/zinc/17/39/69/277173969.db2.gz ATGBTBUSTXXULE-JTQLQIEISA-N 1 1 263.728 2.809 40 0 biogenic,in-vitro CFABMO COc1cccc(-c2nnc([C@H]([NH3+])c3ccc(C)cc3)[nH]2)c1 ZINC000095534093 185007572 /nfs/dbraw/zinc/00/75/72/185007572.db2.gz QHBVDEAZTKRFAG-OAHLLOKOSA-N 1 1 294.358 2.837 40 0 CFABMO CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(C)o1)C2 ZINC000096039328 185069570 /nfs/dbraw/zinc/06/95/70/185069570.db2.gz DEJDKHNIGFFHTQ-IRXDYDNUSA-N 1 1 293.407 2.996 40 0 CFABMO CO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccc2ccccc2n1 ZINC000096041411 185070838 /nfs/dbraw/zinc/07/08/38/185070838.db2.gz RVKQOPQBMFFVQT-RCCFBDPRSA-N 1 1 298.386 2.613 40 0 CFABMO CO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccc2ccccc2n1 ZINC000096041411 185070840 /nfs/dbraw/zinc/07/08/40/185070840.db2.gz RVKQOPQBMFFVQT-RCCFBDPRSA-N 1 1 298.386 2.613 40 0 CFABMO C[N@H+]1CCCCC12CCN(C(=O)c1ccsc1)CC2 ZINC000096051204 185074534 /nfs/dbraw/zinc/07/45/34/185074534.db2.gz TYQNXILNQIENFH-UHFFFAOYSA-N 1 1 278.421 2.839 40 0 CFABMO Cc1ccc(C[N@H+]2CC[C@H](O)[C@@H]2Cc2ccncc2)s1 ZINC000096061649 185082198 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ZINC000409430068 348601053 /nfs/dbraw/zinc/60/10/53/348601053.db2.gz KQQZZVAPQHAKNA-YMAMQOFZSA-N 1 1 259.349 2.603 40 0 CFABMO CC(C)[C@@H]1[C@H]2C[NH+](C)C[C@@H]2C[N@@H+]1Cc1ccccc1 ZINC000409432580 348601537 /nfs/dbraw/zinc/60/15/37/348601537.db2.gz WAWUURVMWPXQKR-IXDOHACOSA-N 1 1 258.409 2.705 40 0 CFABMO CC(C)[C@@H]1[C@H]2C[NH+](C)C[C@@H]2C[N@H+]1Cc1ccccc1 ZINC000409432580 348601540 /nfs/dbraw/zinc/60/15/40/348601540.db2.gz WAWUURVMWPXQKR-IXDOHACOSA-N 1 1 258.409 2.705 40 0 CFABMO CC(C)[C@@H]1[C@H]2CN(C)C[C@@H]2C[N@@H+]1Cc1ccccc1 ZINC000409432580 348601544 /nfs/dbraw/zinc/60/15/44/348601544.db2.gz WAWUURVMWPXQKR-IXDOHACOSA-N 1 1 258.409 2.705 40 0 CFABMO CC(C)[C@@H]1[C@H]2CN(C)C[C@@H]2C[N@H+]1Cc1ccccc1 ZINC000409432580 348601546 /nfs/dbraw/zinc/60/15/46/348601546.db2.gz WAWUURVMWPXQKR-IXDOHACOSA-N 1 1 258.409 2.705 40 0 CFABMO [NH2+]=C(NO)[C@@H](c1ccc(Br)cc1)n1cccc1 ZINC000409437924 348602302 /nfs/dbraw/zinc/60/23/02/348602302.db2.gz BIQKIWPUAMXALE-LLVKDONJSA-N 1 1 294.152 2.796 40 0 CFABMO c1cc2n(n1)[C@H](COc1ccccn1)C[N@H+](CC1CCC1)C2 ZINC000585112619 348734219 /nfs/dbraw/zinc/73/42/19/348734219.db2.gz SDXRNTLENAEXGY-INIZCTEOSA-N 1 1 298.390 2.514 40 0 CFABMO c1cc2n(n1)[C@H](COc1ccccn1)C[N@@H+](CC1CCC1)C2 ZINC000585112619 348734221 /nfs/dbraw/zinc/73/42/21/348734221.db2.gz SDXRNTLENAEXGY-INIZCTEOSA-N 1 1 298.390 2.514 40 0 CFABMO Cc1ccc(F)c(C[N@H+]2CCC[C@]3(CCNC3=O)CC2)c1 ZINC000108527990 186220964 /nfs/dbraw/zinc/22/09/64/186220964.db2.gz GYDGMPWZLLQZMR-KRWDZBQOSA-N 1 1 290.382 2.626 40 0 CFABMO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000000039331 371513839 /nfs/dbraw/zinc/51/38/39/371513839.db2.gz LYCXISYGIJJUIJ-CQSZACIVSA-N 1 1 281.421 2.643 40 0 CFABMO CC[NH+](CC)CC(=O)c1ccc(Br)cc1 ZINC000001685362 371698249 /nfs/dbraw/zinc/69/82/49/371698249.db2.gz WLDBRCXWSNBMLG-UHFFFAOYSA-N 1 1 270.170 2.974 40 0 CFABMO Cc1cc(C)c2c(=O)[nH]n([C@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)c2n1 ZINC000005179516 371879849 /nfs/dbraw/zinc/87/98/49/371879849.db2.gz DNSOMCZSWHTTIF-UHTWSYAYSA-N 1 1 288.395 2.655 40 0 CFABMO Cc1[nH]c2c(cccc2C)c1CC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000012183375 371947557 /nfs/dbraw/zinc/94/75/57/371947557.db2.gz CVMQGMMUYDENET-CQSZACIVSA-N 1 1 299.418 2.538 40 0 CFABMO OCC[N@H+](Cc1ccsc1)Cc1cccs1 ZINC000013997445 372057118 /nfs/dbraw/zinc/05/71/18/372057118.db2.gz CUUCXTCWSRQZCL-UHFFFAOYSA-N 1 1 253.392 2.804 40 0 CFABMO Cc1cc([C@@H]2CCCCC[N@H+]2Cc2cnn(C)c2)on1 ZINC000019120344 372149194 /nfs/dbraw/zinc/14/91/94/372149194.db2.gz RIEALEXMNZUVCT-AWEZNQCLSA-N 1 1 274.368 2.834 40 0 CFABMO Cc1cc([C@@H]2CCCCC[N@@H+]2Cc2cnn(C)c2)on1 ZINC000019120344 372149200 /nfs/dbraw/zinc/14/92/00/372149200.db2.gz RIEALEXMNZUVCT-AWEZNQCLSA-N 1 1 274.368 2.834 40 0 CFABMO Cn1ccc([C@H]2CCCCC[N@@H+]2Cc2ccccn2)n1 ZINC000019291097 372154861 /nfs/dbraw/zinc/15/48/61/372154861.db2.gz FJSDZYIJEPINQI-MRXNPFEDSA-N 1 1 270.380 2.932 40 0 CFABMO Cn1ccc([C@H]2CCCCC[N@H+]2Cc2ccccn2)n1 ZINC000019291097 372154864 /nfs/dbraw/zinc/15/48/64/372154864.db2.gz FJSDZYIJEPINQI-MRXNPFEDSA-N 1 1 270.380 2.932 40 0 CFABMO C[NH+](C)CCN[C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000019367684 372158699 /nfs/dbraw/zinc/15/86/99/372158699.db2.gz YKMZEBJFTJPMGZ-MSOLQXFVSA-N 1 1 284.403 2.613 40 0 CFABMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1cc(F)cc(F)c1 ZINC000019575074 372175436 /nfs/dbraw/zinc/17/54/36/372175436.db2.gz HMGJVSIRRKXLRA-ABAIWWIYSA-N 1 1 266.335 2.633 40 0 CFABMO Cc1[nH]c2c(cccc2C(=O)N[C@@H]2CCC[N@H+](C)C2)c1C ZINC000019576940 372175567 /nfs/dbraw/zinc/17/55/67/372175567.db2.gz HZOOJDRVLXLVBZ-CYBMUJFWSA-N 1 1 285.391 2.609 40 0 CFABMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC1=Cc2ccccc2OC1 ZINC000019575040 372176657 /nfs/dbraw/zinc/17/66/57/372176657.db2.gz RARMCYJKNMCIKH-RHSMWYFYSA-N 1 1 284.403 2.631 40 0 CFABMO CN1CC[NH+](Cc2c3cccnc3[nH]c2-c2ccco2)CC1 ZINC000019590058 372176835 /nfs/dbraw/zinc/17/68/35/372176835.db2.gz KGMSHQORCJGTCY-UHFFFAOYSA-N 1 1 296.374 2.570 40 0 CFABMO COc1ccc2c(c1)[C@@]13CC[N@@H+](C)[C@@H](C2)[C@H]1CCC(=O)C3 ZINC000027729038 372347357 /nfs/dbraw/zinc/34/73/57/372347357.db2.gz FCJHDGUWJDXJKI-BPQIPLTHSA-N 1 1 285.387 2.562 40 0 biogenic,in-vitro CFABMO Fc1ccccc1[C@H]1C[N@@H+](Cc2ccccc2)CCN1 ZINC000056894758 373573914 /nfs/dbraw/zinc/57/39/14/373573914.db2.gz HOPRDLBLTLJYIS-QGZVFWFLSA-N 1 1 270.351 2.972 40 0 CFABMO Fc1ccccc1[C@H]1CN(Cc2ccccc2)CC[NH2+]1 ZINC000056894758 373573921 /nfs/dbraw/zinc/57/39/21/373573921.db2.gz HOPRDLBLTLJYIS-QGZVFWFLSA-N 1 1 270.351 2.972 40 0 CFABMO CNc1cc(C2CCN(c3cc(C)ncn3)CC2)cc[nH+]1 ZINC000072364079 374245867 /nfs/dbraw/zinc/24/58/67/374245867.db2.gz OVTOKAJDIIDESL-UHFFFAOYSA-N 1 1 283.379 2.606 40 0 CFABMO CNc1cccc([C@H]2CCCN(c3cc(C)ncn3)C2)[nH+]1 ZINC000072364080 374246673 /nfs/dbraw/zinc/24/66/73/374246673.db2.gz ZMVXZGDWUAUMEV-ZDUSSCGKSA-N 1 1 283.379 2.606 40 0 CFABMO Nc1ccc(NCc2csc(C3CCC3)n2)[nH+]c1 ZINC000095093891 375413426 /nfs/dbraw/zinc/41/34/26/375413426.db2.gz NJMPQITVRMHOAW-UHFFFAOYSA-N 1 1 260.366 3.000 40 0 CFABMO O=C(c1ccc(F)cc1)N1CC[C@H]2[C@H]1CC[N@H+]2CC1CC1 ZINC000096184403 375475083 /nfs/dbraw/zinc/47/50/83/375475083.db2.gz LPTYMRCSRLAEGK-JKSUJKDBSA-N 1 1 288.366 2.525 40 0 CFABMO CCOC[C@@H]1C[N@H+](Cc2ccsc2)Cc2cnn(C)c21 ZINC000096198243 375478053 /nfs/dbraw/zinc/47/80/53/375478053.db2.gz CRWZCPUZIWKSSO-AWEZNQCLSA-N 1 1 291.420 2.618 40 0 CFABMO CCOC[C@@H]1C[N@@H+](Cc2ccsc2)Cc2cnn(C)c21 ZINC000096198243 375478055 /nfs/dbraw/zinc/47/80/55/375478055.db2.gz CRWZCPUZIWKSSO-AWEZNQCLSA-N 1 1 291.420 2.618 40 0 CFABMO c1ccn(C[C@@H]2CC[C@@H]3[C@@H]2OCC[N@@H+]3Cc2ccoc2)c1 ZINC000096250202 375480973 /nfs/dbraw/zinc/48/09/73/375480973.db2.gz XPIAAHJTTOHITQ-GVDBMIGSSA-N 1 1 286.375 2.761 40 0 CFABMO c1ccn(C[C@@H]2CC[C@@H]3[C@@H]2OCC[N@H+]3Cc2ccoc2)c1 ZINC000096250202 375480977 /nfs/dbraw/zinc/48/09/77/375480977.db2.gz XPIAAHJTTOHITQ-GVDBMIGSSA-N 1 1 286.375 2.761 40 0 CFABMO c1ccc(C[N@H+]2CCc3ncnc(C4CC4)c3CC2)cc1 ZINC000096255079 375481873 /nfs/dbraw/zinc/48/18/73/375481873.db2.gz LJZAYHWBVPUHQM-UHFFFAOYSA-N 1 1 279.387 2.955 40 0 CFABMO CC(C)Cn1ccc(C[NH2+]Cc2ccc(F)cc2)n1 ZINC000256053725 190005076 /nfs/dbraw/zinc/00/50/76/190005076.db2.gz SPBDNQQCSHCHPY-UHFFFAOYSA-N 1 1 261.344 2.968 40 0 CFABMO CCn1nc(C)c(C[NH2+]Cc2ccc(OC)cc2)c1F ZINC000256052888 190004087 /nfs/dbraw/zinc/00/40/87/190004087.db2.gz PAZRELDRRQYFRK-UHFFFAOYSA-N 1 1 277.343 2.649 40 0 CFABMO CCCn1cc(C[NH2+]Cc2c(C)nn(CC)c2F)c(C)n1 ZINC000256054232 190004708 /nfs/dbraw/zinc/00/47/08/190004708.db2.gz VMZUPKZNRRVTOO-UHFFFAOYSA-N 1 1 293.390 2.555 40 0 CFABMO CN(C)Cc1cncc([C@H]2CCC[N@H+]2C2CCCC2)n1 ZINC000257205800 190011226 /nfs/dbraw/zinc/01/12/26/190011226.db2.gz BAPIHZBFUPWOBG-MRXNPFEDSA-N 1 1 274.412 2.618 40 0 CFABMO Cc1cc(-c2ncc[nH]2)nc([C@@H]2CCC[N@@H+]2C(C)C)n1 ZINC000257204238 190011430 /nfs/dbraw/zinc/01/14/30/190011430.db2.gz ATRIRPQNNNXWHT-ZDUSSCGKSA-N 1 1 271.368 2.720 40 0 CFABMO CCN1CCC([N@H+]2CCC[C@H]2c2ccnc(NC)c2)CC1 ZINC000257210326 190012555 /nfs/dbraw/zinc/01/25/55/190012555.db2.gz BUCGEQBKKHZNJV-INIZCTEOSA-N 1 1 288.439 2.745 40 0 CFABMO CC[NH+]1CCC(N2CCC[C@H]2c2ccnc(NC)c2)CC1 ZINC000257210326 190012556 /nfs/dbraw/zinc/01/25/56/190012556.db2.gz BUCGEQBKKHZNJV-INIZCTEOSA-N 1 1 288.439 2.745 40 0 CFABMO CCn1cc(C[N@H+]2CCC[C@H]2CCc2ccncc2)cn1 ZINC000257215284 190013516 /nfs/dbraw/zinc/01/35/16/190013516.db2.gz CPLXMUGVENFQJD-KRWDZBQOSA-N 1 1 284.407 2.895 40 0 CFABMO Cc1c[nH]c([C@H]2CC[N@@H+](Cc3cc(F)cc(F)c3)C2)n1 ZINC000257237224 190017714 /nfs/dbraw/zinc/01/77/14/190017714.db2.gz HFPYISRRAZKQMA-LBPRGKRZSA-N 1 1 277.318 2.986 40 0 CFABMO CC(C)n1ccnc1C[N@@H+]1CCC[C@@H](Cc2cc[nH]n2)C1 ZINC000257245036 190019251 /nfs/dbraw/zinc/01/92/51/190019251.db2.gz INWNBCFLCAJTMC-AWEZNQCLSA-N 1 1 287.411 2.642 40 0 CFABMO CC(C)n1ccnc1C[N@H+]1CCC[C@@H](Cc2cc[nH]n2)C1 ZINC000257245036 190019252 /nfs/dbraw/zinc/01/92/52/190019252.db2.gz INWNBCFLCAJTMC-AWEZNQCLSA-N 1 1 287.411 2.642 40 0 CFABMO CN(C)c1cncc([C@@H]2CCC[N@@H+]2Cc2ccsc2)n1 ZINC000257264826 190023159 /nfs/dbraw/zinc/02/31/59/190023159.db2.gz LWDIWDVTZQGDEU-AWEZNQCLSA-N 1 1 288.420 2.941 40 0 CFABMO CN(C)c1cncc([C@@H]2CCC[N@H+]2Cc2ccsc2)n1 ZINC000257264826 190023160 /nfs/dbraw/zinc/02/31/60/190023160.db2.gz LWDIWDVTZQGDEU-AWEZNQCLSA-N 1 1 288.420 2.941 40 0 CFABMO COc1ccc([C@H]2C[N@H+](Cc3cccnc3)CCN2C)cc1 ZINC000257267978 190023939 /nfs/dbraw/zinc/02/39/39/190023939.db2.gz MJTHXQMEYPSBAO-GOSISDBHSA-N 1 1 297.402 2.579 40 0 CFABMO COc1ccc([C@H]2C[N@@H+](Cc3cccnc3)CCN2C)cc1 ZINC000257267978 190023940 /nfs/dbraw/zinc/02/39/40/190023940.db2.gz MJTHXQMEYPSBAO-GOSISDBHSA-N 1 1 297.402 2.579 40 0 CFABMO COc1ccc([C@H]2CN(Cc3cccnc3)CC[N@@H+]2C)cc1 ZINC000257267978 190023941 /nfs/dbraw/zinc/02/39/41/190023941.db2.gz MJTHXQMEYPSBAO-GOSISDBHSA-N 1 1 297.402 2.579 40 0 CFABMO COc1ccc([C@H]2CN(Cc3cccnc3)CC[N@H+]2C)cc1 ZINC000257267978 190023942 /nfs/dbraw/zinc/02/39/42/190023942.db2.gz MJTHXQMEYPSBAO-GOSISDBHSA-N 1 1 297.402 2.579 40 0 CFABMO Cc1cc(-c2cccc([C@@H]3CCC[N@H+](C)C3)n2)n[nH]1 ZINC000257257378 190021563 /nfs/dbraw/zinc/02/15/63/190021563.db2.gz KPJMQYCBTRQZMQ-GFCCVEGCSA-N 1 1 256.353 2.589 40 0 CFABMO Cc1ncsc1-c1cncc(C[C@@H]2CCC[N@H+](C)C2)n1 ZINC000257262354 190022680 /nfs/dbraw/zinc/02/26/80/190022680.db2.gz LLBVELGJERNPIX-LBPRGKRZSA-N 1 1 288.420 2.793 40 0 CFABMO Cc1ccnc([C@@H]2CC[N@@H+](CCc3ccc(F)cc3)C2)n1 ZINC000257275053 190025006 /nfs/dbraw/zinc/02/50/06/190025006.db2.gz NNSRUPHODNSHMM-OAHLLOKOSA-N 1 1 285.366 2.956 40 0 CFABMO Cc1cnc(C[NH+]2CCC(C)(c3nccs3)CC2)cn1 ZINC000257314134 190031871 /nfs/dbraw/zinc/03/18/71/190031871.db2.gz UVMAAOLNYYBZGK-UHFFFAOYSA-N 1 1 288.420 2.795 40 0 CFABMO Cc1ccc(C[N@H+]2CCC[C@@H](c3ccncn3)C2)cn1 ZINC000257292166 190027907 /nfs/dbraw/zinc/02/79/07/190027907.db2.gz QKGSLOWDLUGOSY-OAHLLOKOSA-N 1 1 268.364 2.560 40 0 CFABMO c1csc(C[NH+]2CCC(Cc3ccncc3)CC2)n1 ZINC000257299397 190029639 /nfs/dbraw/zinc/02/96/39/190029639.db2.gz RPXLSBDWHMAHGE-UHFFFAOYSA-N 1 1 273.405 2.993 40 0 CFABMO CCN1CCC([N@H+]2CCC[C@H]2CCc2ccncc2)CC1 ZINC000257301964 190030619 /nfs/dbraw/zinc/03/06/19/190030619.db2.gz SATSIBUHTVDBHW-KRWDZBQOSA-N 1 1 287.451 2.963 40 0 CFABMO Cc1c[nH]nc1[C@H]1CCC[N@@H+](CCOc2ccccc2)C1 ZINC000257326725 190034637 /nfs/dbraw/zinc/03/46/37/190034637.db2.gz WYJIPYSDTJNCHB-HNNXBMFYSA-N 1 1 285.391 2.977 40 0 CFABMO COc1ccc([C@H]2C[N@H+](Cc3ccncc3)CCN2C)cc1 ZINC000257333893 190035964 /nfs/dbraw/zinc/03/59/64/190035964.db2.gz YDOAVRIBFYPIAY-GOSISDBHSA-N 1 1 297.402 2.579 40 0 CFABMO COc1ccc([C@H]2C[N@@H+](Cc3ccncc3)CCN2C)cc1 ZINC000257333893 190035965 /nfs/dbraw/zinc/03/59/65/190035965.db2.gz YDOAVRIBFYPIAY-GOSISDBHSA-N 1 1 297.402 2.579 40 0 CFABMO Cc1noc(C)c1CN1CC[C@@H]2[C@H]1CC[N@@H+]2CC(C)C ZINC000306139394 382453464 /nfs/dbraw/zinc/45/34/64/382453464.db2.gz SWBJLSRZBJILMZ-HZPDHXFCSA-N 1 1 277.412 2.596 40 0 CFABMO CC(C)(C)OC(=O)N[C@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000575410500 382769951 /nfs/dbraw/zinc/76/99/51/382769951.db2.gz JYIFMNXUMIYQHE-QDMKHBRRSA-N 1 1 288.391 2.642 40 0 CFABMO CCOC[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1cccs1 ZINC000253381023 383453092 /nfs/dbraw/zinc/45/30/92/383453092.db2.gz CJLOFZFODUHGCZ-QEJZJMRPSA-N 1 1 281.421 2.764 40 0 CFABMO CCOC[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1cccs1 ZINC000253381023 383453097 /nfs/dbraw/zinc/45/30/97/383453097.db2.gz CJLOFZFODUHGCZ-QEJZJMRPSA-N 1 1 281.421 2.764 40 0 CFABMO CC(=O)N1CC[N@H+](C2CCCC2)C[C@H]1c1ccccc1 ZINC000257343393 383495285 /nfs/dbraw/zinc/49/52/85/383495285.db2.gz ZSVNBXYQWJAUNZ-KRWDZBQOSA-N 1 1 272.392 2.834 40 0 CFABMO Cc1cc(N2CC[NH2+]CC2)c2ccc(Cl)c(C)c2n1 ZINC000068136533 393634222 /nfs/dbraw/zinc/63/42/22/393634222.db2.gz LCNFGILYBFNDDI-UHFFFAOYSA-N 1 1 275.783 2.915 40 0 CFABMO CCOc1ccc(N2C(=O)[C@@H]([NH3+])[C@H]2c2ccccc2)cc1 ZINC000072228054 393648582 /nfs/dbraw/zinc/64/85/82/393648582.db2.gz BHUIMJLUHZKHOX-JKSUJKDBSA-N 1 1 282.343 2.501 40 0 CFABMO Cc1ccc(N2C(=O)[C@H]([NH3+])[C@H]2c2ccccc2F)cc1 ZINC000072227480 393648757 /nfs/dbraw/zinc/64/87/57/393648757.db2.gz BTLJADVAJWCYCX-HUUCEWRRSA-N 1 1 270.307 2.549 40 0 CFABMO [NH3+][C@@H]1C(=O)N(c2cccc(F)c2)[C@H]1c1ccccc1Cl ZINC000072227635 393648879 /nfs/dbraw/zinc/64/88/79/393648879.db2.gz IUPWLSVKKDFIFC-KBPBESRZSA-N 1 1 290.725 2.894 40 0 CFABMO CCc1ccc(N2C(=O)[C@H]([NH3+])[C@H]2c2ccc(OC)cc2)cc1 ZINC000072228004 393648944 /nfs/dbraw/zinc/64/89/44/393648944.db2.gz CFNVMOXSQPVBGM-IAGOWNOFSA-N 1 1 296.370 2.673 40 0 CFABMO CC(C)N1C[C@]2(CCC[N@@H+](CC3CCCCC3)C2)C1=O ZINC000585099280 395099987 /nfs/dbraw/zinc/09/99/87/395099987.db2.gz ARHUNNLLFWBREA-QGZVFWFLSA-N 1 1 278.440 2.900 40 0 CFABMO CC(C)N1C[C@]2(CCC[N@@H+](CCc3ccccc3)C2)C1=O ZINC000585099341 395100250 /nfs/dbraw/zinc/10/02/50/395100250.db2.gz GLIZFSZGGZUPBE-GOSISDBHSA-N 1 1 286.419 2.562 40 0 CFABMO COCC[C@@H]1Cn2cccc2C[N@H+](Cc2cccnc2)C1 ZINC000585094635 395100341 /nfs/dbraw/zinc/10/03/41/395100341.db2.gz AUODDEAGEXHJBP-INIZCTEOSA-N 1 1 285.391 2.552 40 0 CFABMO COCC[C@@H]1Cn2cccc2C[N@@H+](Cc2cccnc2)C1 ZINC000585094635 395100345 /nfs/dbraw/zinc/10/03/45/395100345.db2.gz AUODDEAGEXHJBP-INIZCTEOSA-N 1 1 285.391 2.552 40 0 CFABMO CCc1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000006356291 170195013 /nfs/dbraw/zinc/19/50/13/170195013.db2.gz HVPKCRPSZRFTBQ-HOCLYGCPSA-N 1 1 277.408 2.863 40 0 CFABMO Cc1cccc(NC(=S)NC[C@H]2CCC[N@H+](C)C2)c1C ZINC000009876392 170388114 /nfs/dbraw/zinc/38/81/14/170388114.db2.gz CEUAZABVNKKLGW-CQSZACIVSA-N 1 1 291.464 2.932 40 0 CFABMO C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(Cl)cc2)C1 ZINC000009876614 170388235 /nfs/dbraw/zinc/38/82/35/170388235.db2.gz XQFLWSBQSUWLRW-LLVKDONJSA-N 1 1 281.787 2.803 40 0 CFABMO Cc1cc(C)cc(NC(=S)NC[C@H]2CCC[N@H+](C)C2)c1 ZINC000009876161 170388388 /nfs/dbraw/zinc/38/83/88/170388388.db2.gz QJDPRYCOUYXJFJ-CQSZACIVSA-N 1 1 291.464 2.932 40 0 CFABMO Cc1cccc(NC(=S)NC[C@@H]2CCC[N@H+](C)C2)c1C ZINC000009876383 170388478 /nfs/dbraw/zinc/38/84/78/170388478.db2.gz CEUAZABVNKKLGW-AWEZNQCLSA-N 1 1 291.464 2.932 40 0 CFABMO CCOc1c(C[NH2+]CCN(CC)CC)cccc1OC ZINC000022075960 171352061 /nfs/dbraw/zinc/35/20/61/171352061.db2.gz JXMCNMYCNXXCNL-UHFFFAOYSA-N 1 1 280.412 2.525 40 0 CFABMO CC(C)(C)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000046239345 175395193 /nfs/dbraw/zinc/39/51/93/175395193.db2.gz RMRBDHVXWVSGRK-UHFFFAOYSA-N 1 1 274.408 2.597 40 0 CFABMO CCOc1ccccc1CN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000072324429 176369699 /nfs/dbraw/zinc/36/96/99/176369699.db2.gz BGYIIFWTODMLGX-HOCLYGCPSA-N 1 1 274.408 2.754 40 0 CFABMO COc1ccccc1-c1cnc([C@H]2CCC[N@@H+](C)C2)cn1 ZINC000072360683 176376681 /nfs/dbraw/zinc/37/66/81/176376681.db2.gz PKZKEICJWWMWKH-ZDUSSCGKSA-N 1 1 283.375 2.961 40 0 CFABMO CC[N@H+]1CCC[C@@H](c2cnc(Nc3ccccn3)cn2)C1 ZINC000072361574 176377305 /nfs/dbraw/zinc/37/73/05/176377305.db2.gz XLISKEVNOFIRJO-CYBMUJFWSA-N 1 1 283.379 2.815 40 0 CFABMO C[N@H+]1CCC[C@H](Cc2cc(Nc3nccs3)ncn2)C1 ZINC000072361555 176377799 /nfs/dbraw/zinc/37/77/99/176377799.db2.gz BYKBGGAKUXNIEZ-LLVKDONJSA-N 1 1 289.408 2.561 40 0 CFABMO CC(C)[N@H+]1CCC[C@H](c2ccnc(Nc3cnccn3)n2)C1 ZINC000072377464 176385570 /nfs/dbraw/zinc/38/55/70/176385570.db2.gz ZHGGZKSUPCWNGV-ZDUSSCGKSA-N 1 1 298.394 2.598 40 0 CFABMO CC(C)[N@H+]1CCC[C@@H]1c1ccnc(Nc2cnccn2)n1 ZINC000072377460 176386298 /nfs/dbraw/zinc/38/62/98/176386298.db2.gz BPMOIWHHDCBOHJ-CYBMUJFWSA-N 1 1 284.367 2.556 40 0 CFABMO c1cncc(C[C@H]2CCC[N@H+](CC3CCOCC3)C2)c1 ZINC000072386148 176390859 /nfs/dbraw/zinc/39/08/59/176390859.db2.gz VIMLKNQNJCEIBC-QGZVFWFLSA-N 1 1 274.408 2.763 40 0 CFABMO c1cncc(C[C@@H]2CCC[N@H+](CC3CCOCC3)C2)c1 ZINC000072386147 176390886 /nfs/dbraw/zinc/39/08/86/176390886.db2.gz VIMLKNQNJCEIBC-KRWDZBQOSA-N 1 1 274.408 2.763 40 0 CFABMO C[N@H+]1CCC[C@@H]1c1ccnc(Nc2ccccn2)c1 ZINC000072386487 176391599 /nfs/dbraw/zinc/39/15/99/176391599.db2.gz GEWFHJHWPBCSHZ-CYBMUJFWSA-N 1 1 254.337 2.987 40 0 CFABMO Cc1[nH+]ccn1C[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000072398279 176396603 /nfs/dbraw/zinc/39/66/03/176396603.db2.gz AUXOGHFYPJTFQQ-OLZOCXBDSA-N 1 1 271.364 2.705 40 0 CFABMO Cc1[nH+]ccn1Cc1ccccc1CNC(=O)c1ccco1 ZINC000078582328 177356129 /nfs/dbraw/zinc/35/61/29/177356129.db2.gz YTBCKRQTFVNSGW-UHFFFAOYSA-N 1 1 295.342 2.763 40 0 CFABMO CCOC(=O)c1c(N)sc2c1CC[N@@H+](CC(C)C)C2 ZINC000035572274 276296769 /nfs/dbraw/zinc/29/67/69/276296769.db2.gz STKSVFKZYPRRAA-UHFFFAOYSA-N 1 1 282.409 2.521 40 0 CFABMO COc1ccccc1-c1n[nH]c([C@H]([NH3+])c2ccccc2)n1 ZINC000095533444 185006154 /nfs/dbraw/zinc/00/61/54/185006154.db2.gz JYIHECKEGFSFLP-CQSZACIVSA-N 1 1 280.331 2.528 40 0 CFABMO COc1cccc([C@@H]([NH3+])c2nc(-c3ccccc3F)n[nH]2)c1 ZINC000095533569 185006875 /nfs/dbraw/zinc/00/68/75/185006875.db2.gz FLNVQHNQQGEFIE-CQSZACIVSA-N 1 1 298.321 2.668 40 0 CFABMO COc1cccc([C@H]([NH3+])c2nc(-c3cccs3)n[nH]2)c1 ZINC000095533586 185006903 /nfs/dbraw/zinc/00/69/03/185006903.db2.gz KEBLYAWBYFOGIU-LBPRGKRZSA-N 1 1 286.360 2.590 40 0 CFABMO COc1ccc(-c2n[nH]c([C@H]([NH3+])Cc3ccccc3)n2)cc1 ZINC000095534830 185008503 /nfs/dbraw/zinc/00/85/03/185008503.db2.gz IZBKTISVCIWJGK-OAHLLOKOSA-N 1 1 294.358 2.723 40 0 CFABMO Cc1noc([C@@H]2C[C@H]3OCC[C@H]3[N@@H+](CC3CCCC3)C2)n1 ZINC000096038931 185068738 /nfs/dbraw/zinc/06/87/38/185068738.db2.gz IKWIINQNTKQAME-RBSFLKMASA-N 1 1 291.395 2.515 40 0 CFABMO c1cncc(O[C@H]2CC[C@H]3[C@H]2OCC[N@@H+]3C2CCCC2)c1 ZINC000096042145 185070592 /nfs/dbraw/zinc/07/05/92/185070592.db2.gz ZYJJHYIVOPHMGE-YESZJQIVSA-N 1 1 288.391 2.635 40 0 CFABMO CCOC[C@H]1C[N@H+](Cc2cccs2)Cc2c1cnn2C ZINC000096044597 185071123 /nfs/dbraw/zinc/07/11/23/185071123.db2.gz JKEBUWNGZFCJGQ-GFCCVEGCSA-N 1 1 291.420 2.618 40 0 CFABMO CCOC[C@H]1C[N@@H+](Cc2cccs2)Cc2c1cnn2C ZINC000096044597 185071125 /nfs/dbraw/zinc/07/11/25/185071125.db2.gz JKEBUWNGZFCJGQ-GFCCVEGCSA-N 1 1 291.420 2.618 40 0 CFABMO CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1nccs1)CC2 ZINC000096047497 185072742 /nfs/dbraw/zinc/07/27/42/185072742.db2.gz OBNPDFDEQIXXSX-HNNXBMFYSA-N 1 1 293.436 2.510 40 0 CFABMO CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccoc1)CCO2 ZINC000096051867 185074110 /nfs/dbraw/zinc/07/41/10/185074110.db2.gz LXQFETWRJQLWOK-JKSUJKDBSA-N 1 1 279.380 2.687 40 0 CFABMO CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1ccoc1)CCO2 ZINC000096051867 185074113 /nfs/dbraw/zinc/07/41/13/185074113.db2.gz LXQFETWRJQLWOK-JKSUJKDBSA-N 1 1 279.380 2.687 40 0 CFABMO CC[C@@H]1[N@@H+](Cc2ccoc2)CCC[C@]12CCC(=O)N2C ZINC000096052412 185074891 /nfs/dbraw/zinc/07/48/91/185074891.db2.gz PUEHUFVTVIQAEG-HOCLYGCPSA-N 1 1 276.380 2.645 40 0 CFABMO c1ccn(C[C@H]2CC[C@H]3[C@@H]2OCC[N@@H+]3Cc2ccco2)c1 ZINC000096055341 185075347 /nfs/dbraw/zinc/07/53/47/185075347.db2.gz BFTLRWSZXVRNFF-HYVNUMGLSA-N 1 1 286.375 2.761 40 0 CFABMO c1ccn(C[C@H]2CC[C@H]3[C@@H]2OCC[N@H+]3Cc2ccco2)c1 ZINC000096055341 185075348 /nfs/dbraw/zinc/07/53/48/185075348.db2.gz BFTLRWSZXVRNFF-HYVNUMGLSA-N 1 1 286.375 2.761 40 0 CFABMO CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccco1)C2 ZINC000096056790 185077153 /nfs/dbraw/zinc/07/71/53/185077153.db2.gz XKBHRIAJUFNVCY-JKSUJKDBSA-N 1 1 279.380 2.687 40 0 CFABMO c1coc(C[N@@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)c1 ZINC000096056408 185077682 /nfs/dbraw/zinc/07/76/82/185077682.db2.gz BIRUMVQEQOKOKO-BRWVUGGUSA-N 1 1 291.391 2.828 40 0 CFABMO CCOC[C@H]1C[N@@H+](CC2CC2)Cc2cn(CC3CC3)nc21 ZINC000096059977 185080561 /nfs/dbraw/zinc/08/05/61/185080561.db2.gz VDURKSXSACDKCP-MRXNPFEDSA-N 1 1 289.423 2.639 40 0 CFABMO CC[C@H](C)[N@H+]1CCc2ncnc(-c3ccncc3)c2CC1 ZINC000096066746 185084178 /nfs/dbraw/zinc/08/41/78/185084178.db2.gz DOIMRAFIFFPISM-ZDUSSCGKSA-N 1 1 282.391 2.738 40 0 CFABMO CC(=O)N1CCCC[C@@]12CCC[N@@H+](Cc1ccc(C)o1)C2 ZINC000096071905 185087005 /nfs/dbraw/zinc/08/70/05/185087005.db2.gz LRMBTYFMJFDBFG-KRWDZBQOSA-N 1 1 290.407 2.955 40 0 CFABMO CO[C@@H]1CC[N@H+](C2CCOCC2)C[C@@H]1Cc1ccccc1 ZINC000096110180 185100877 /nfs/dbraw/zinc/10/08/77/185100877.db2.gz XSVIVCMXRSYTIU-FUHWJXTLSA-N 1 1 289.419 2.745 40 0 CFABMO CCCC[N@H+](Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000071014027 346918693 /nfs/dbraw/zinc/91/86/93/346918693.db2.gz OWOUSRRUGVRUFW-OAHLLOKOSA-N 1 1 299.411 2.615 40 0 CFABMO CCCC[N@@H+](Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000071014027 346918695 /nfs/dbraw/zinc/91/86/95/346918695.db2.gz OWOUSRRUGVRUFW-OAHLLOKOSA-N 1 1 299.411 2.615 40 0 CFABMO Cc1cc(C)nc(N2CC[C@H]3[C@@H](C[N@@H+]3CCC(C)C)C2)n1 ZINC000585107937 348734493 /nfs/dbraw/zinc/73/44/93/348734493.db2.gz GSXICFHFHPAPLS-HOTGVXAUSA-N 1 1 288.439 2.650 40 0 CFABMO c1cnc(N2CC[C@@H]3[C@@H](C[N@@H+]3CC3CCCCC3)C2)nc1 ZINC000585107991 348734667 /nfs/dbraw/zinc/73/46/67/348734667.db2.gz QKXAMHGROVEQJB-HZPDHXFCSA-N 1 1 286.423 2.567 40 0 CFABMO Cc1cc(F)ccc1C[N@H+]1CCC[C@]2(CCNC2=O)CC1 ZINC000108525131 186220961 /nfs/dbraw/zinc/22/09/61/186220961.db2.gz LVYFCSKPIVTKSR-KRWDZBQOSA-N 1 1 290.382 2.626 40 0 CFABMO Cc1ccc(F)cc1C[N@H+]1CCC[C@]2(CCNC2=O)CC1 ZINC000108527002 186221065 /nfs/dbraw/zinc/22/10/65/186221065.db2.gz NRPAPJLPOQOVGR-KRWDZBQOSA-N 1 1 290.382 2.626 40 0 CFABMO O=C(SC1=[NH+]CCN1)c1cccc2ccccc21 ZINC000001650612 371691257 /nfs/dbraw/zinc/69/12/57/371691257.db2.gz IJUFOGYTKJPQBU-UHFFFAOYSA-N 1 1 256.330 2.672 40 0 CFABMO Cc1cccc(OC[C@H](O)C[N@@H+]2CCCC[C@H]2C)c1 ZINC000002696080 371746711 /nfs/dbraw/zinc/74/67/11/371746711.db2.gz RQGZRNBQLOZLAS-HUUCEWRRSA-N 1 1 263.381 2.609 40 0 CFABMO C[N@@H+]1CCN2c3ccc(O)cc3Cc3ccccc3[C@@H]2C1 ZINC000005140856 371880338 /nfs/dbraw/zinc/88/03/38/371880338.db2.gz YTMQIPGEXLWJTN-SFHVURJKSA-N 1 1 280.371 2.790 40 0 CFABMO C[N@H+]1CCN2c3ccc(O)cc3Cc3ccccc3[C@@H]2C1 ZINC000005140856 371880341 /nfs/dbraw/zinc/88/03/41/371880341.db2.gz YTMQIPGEXLWJTN-SFHVURJKSA-N 1 1 280.371 2.790 40 0 CFABMO CC(C)(C)c1[nH]c2ncccc2c1C[NH+]1CCOCC1 ZINC000019083463 372146974 /nfs/dbraw/zinc/14/69/74/372146974.db2.gz KLVSDHQYVXZCML-UHFFFAOYSA-N 1 1 273.380 2.693 40 0 CFABMO Cc1cc([C@H]2CCCCC[N@H+]2Cc2cnn(C)c2)on1 ZINC000019120346 372148743 /nfs/dbraw/zinc/14/87/43/372148743.db2.gz RIEALEXMNZUVCT-CQSZACIVSA-N 1 1 274.368 2.834 40 0 CFABMO Cc1cc([C@H]2CCCCC[N@@H+]2Cc2cnn(C)c2)on1 ZINC000019120346 372148750 /nfs/dbraw/zinc/14/87/50/372148750.db2.gz RIEALEXMNZUVCT-CQSZACIVSA-N 1 1 274.368 2.834 40 0 CFABMO Cn1ccc([C@@H]2CCCCC[N@@H+]2Cc2ccccn2)n1 ZINC000019291096 372154491 /nfs/dbraw/zinc/15/44/91/372154491.db2.gz FJSDZYIJEPINQI-INIZCTEOSA-N 1 1 270.380 2.932 40 0 CFABMO Cn1ccc([C@@H]2CCCCC[N@H+]2Cc2ccccn2)n1 ZINC000019291096 372154497 /nfs/dbraw/zinc/15/44/97/372154497.db2.gz FJSDZYIJEPINQI-INIZCTEOSA-N 1 1 270.380 2.932 40 0 CFABMO C[NH+](C)CCN[C@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000019367682 372157953 /nfs/dbraw/zinc/15/79/53/372157953.db2.gz YKMZEBJFTJPMGZ-QZTJIDSGSA-N 1 1 284.403 2.613 40 0 CFABMO CCCCn1cc(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)c(C)n1 ZINC000019502432 372170218 /nfs/dbraw/zinc/17/02/18/372170218.db2.gz GBYWSATZDFKLEJ-RHSMWYFYSA-N 1 1 290.455 2.660 40 0 CFABMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C/C=C/c1ccccc1 ZINC000019575682 372175713 /nfs/dbraw/zinc/17/57/13/372175713.db2.gz XTHKJRGQETUNNC-MUMZPTDHSA-N 1 1 256.393 2.868 40 0 CFABMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc2ncccc2c1 ZINC000019575128 372175817 /nfs/dbraw/zinc/17/58/17/372175817.db2.gz RYKPYFFVIMSEPR-RHSMWYFYSA-N 1 1 281.403 2.903 40 0 CFABMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc2ncccc2c1 ZINC000019575130 372176995 /nfs/dbraw/zinc/17/69/95/372176995.db2.gz RYKPYFFVIMSEPR-PBHICJAKSA-N 1 1 281.403 2.903 40 0 CFABMO C[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccccc1Cl ZINC000026919741 372331610 /nfs/dbraw/zinc/33/16/10/372331610.db2.gz UKYJCOVBHITCED-CHWSQXEVSA-N 1 1 283.799 2.954 40 0 CFABMO COc1ccc2c(c1)[C@]13CC[N@@H+](C)[C@H](C2)[C@@H]1[C@@H](C)CC(=O)C3 ZINC000029477726 372381716 /nfs/dbraw/zinc/38/17/16/372381716.db2.gz FVZCKWRBLLZDHV-JHQYFNNDSA-N 1 1 299.414 2.808 40 0 biogenic,in-vitro CFABMO OC[C@@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000047916125 373130306 /nfs/dbraw/zinc/13/03/06/373130306.db2.gz LGOANKKEQQAZRV-SNVBAGLBSA-N 1 1 257.736 2.683 40 0 CFABMO OC[C@@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000047916125 373130317 /nfs/dbraw/zinc/13/03/17/373130317.db2.gz LGOANKKEQQAZRV-SNVBAGLBSA-N 1 1 257.736 2.683 40 0 CFABMO c1ccc2oc([C@H]3CC[N@H+](C4CCOCC4)C3)nc2c1 ZINC000049168887 373273453 /nfs/dbraw/zinc/27/34/53/373273453.db2.gz WPHHRUXEGGWJLY-LBPRGKRZSA-N 1 1 272.348 2.796 40 0 biogenic,in-vitro CFABMO CCOc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1Cl ZINC000074949305 374449284 /nfs/dbraw/zinc/44/92/84/374449284.db2.gz YWMXSQHYRIHLSZ-UHFFFAOYSA-N 1 1 296.798 2.516 40 0 CFABMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(CC1CC1)[C@H]2C ZINC000096061999 375468691 /nfs/dbraw/zinc/46/86/91/375468691.db2.gz UEZLQMJQLAZMKW-ZDUSSCGKSA-N 1 1 276.428 2.510 40 0 CFABMO CC(C)[N@@H+](C)Cc1cncc2c1CCN(c1ccccn1)C2 ZINC000096067402 375469133 /nfs/dbraw/zinc/46/91/33/375469133.db2.gz KORDPPRDNVVZDF-UHFFFAOYSA-N 1 1 296.418 2.880 40 0 CFABMO O=C1C[C@H]2[C@@H](CC[N@H+]2Cc2ccsc2)N1c1cccnc1 ZINC000096184088 375474456 /nfs/dbraw/zinc/47/44/56/375474456.db2.gz SSGMXSYYQVFPNS-CABCVRRESA-N 1 1 299.399 2.523 40 0 CFABMO Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3Cc2ccncc2)o1 ZINC000096184670 375475147 /nfs/dbraw/zinc/47/51/47/375475147.db2.gz OSPRPNKBCXTZJW-MSOLQXFVSA-N 1 1 297.402 2.832 40 0 CFABMO Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccncc2)o1 ZINC000096184670 375475153 /nfs/dbraw/zinc/47/51/53/375475153.db2.gz OSPRPNKBCXTZJW-MSOLQXFVSA-N 1 1 297.402 2.832 40 0 CFABMO Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2ccncc2)o1 ZINC000096184670 375475159 /nfs/dbraw/zinc/47/51/59/375475159.db2.gz OSPRPNKBCXTZJW-MSOLQXFVSA-N 1 1 297.402 2.832 40 0 CFABMO CCO[C@@H]1CC[N@@H+](Cc2ccoc2)[C@@H]1Cc1cccnc1 ZINC000096200495 375478119 /nfs/dbraw/zinc/47/81/19/375478119.db2.gz YCTPYIBKBBJYBT-IAGOWNOFSA-N 1 1 286.375 2.897 40 0 CFABMO c1coc(C[N@H+]2CC[C@@]3(C2)CCCN(c2ncccn2)C3)c1 ZINC000096216835 375480416 /nfs/dbraw/zinc/48/04/16/375480416.db2.gz WDKXITFEYSMOQV-QGZVFWFLSA-N 1 1 298.390 2.562 40 0 CFABMO [NH3+]CC(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000097447218 375562921 /nfs/dbraw/zinc/56/29/21/375562921.db2.gz CRDREXNRBHXYIX-UHFFFAOYSA-N 1 1 282.059 2.609 40 0 CFABMO CC(C)Cn1ccc(C[NH2+]Cc2cccc(F)c2)n1 ZINC000256049586 190002415 /nfs/dbraw/zinc/00/24/15/190002415.db2.gz AOLHKFMBPOBTBA-UHFFFAOYSA-N 1 1 261.344 2.968 40 0 CFABMO COc1cccc(C[NH2+]Cc2cc(C(F)(F)F)n(C)n2)c1 ZINC000256049566 190002645 /nfs/dbraw/zinc/00/26/45/190002645.db2.gz ALUDLBHFWKDGHG-UHFFFAOYSA-N 1 1 299.296 2.737 40 0 CFABMO Fc1cccc(C[NH2+]Cc2ccn(CC(F)(F)F)n2)c1 ZINC000256052989 190004544 /nfs/dbraw/zinc/00/45/44/190004544.db2.gz POKANVFTPIIBNL-UHFFFAOYSA-N 1 1 287.260 2.874 40 0 CFABMO CCn1nc(C)c(C[NH2+]Cc2ccc(F)s2)c1F ZINC000256055207 190005541 /nfs/dbraw/zinc/00/55/41/190005541.db2.gz ZSPIACOYOFJTKM-UHFFFAOYSA-N 1 1 271.336 2.841 40 0 CFABMO Cc1c[nH]c([C@H]2CCC[N@@H+](CCC(F)(F)F)C2)n1 ZINC000257200722 190011052 /nfs/dbraw/zinc/01/10/52/190011052.db2.gz AEQOABXQWRHISK-JTQLQIEISA-N 1 1 261.291 2.850 40 0 CFABMO CCCn1cc(C[N@H+]2CCC[C@@H](c3ccnc(C)n3)C2)cn1 ZINC000257232766 190017121 /nfs/dbraw/zinc/01/71/21/190017121.db2.gz GMICZUMVTBAYPJ-MRXNPFEDSA-N 1 1 299.422 2.771 40 0 CFABMO Cc1n[nH]cc1-c1cnc(C[C@@H]2CCC[N@H+](C(C)C)C2)cn1 ZINC000257223567 190014710 /nfs/dbraw/zinc/01/47/10/190014710.db2.gz DXYJNBPSXGIKHN-AWEZNQCLSA-N 1 1 299.422 2.838 40 0 CFABMO CCCCc1ncc(C[N@H+]2CC[C@H](c3nc(C)c[nH]3)C2)[nH]1 ZINC000257252083 190020239 /nfs/dbraw/zinc/02/02/39/190020239.db2.gz JTMMAZWQWSKAQM-ZDUSSCGKSA-N 1 1 287.411 2.773 40 0 CFABMO CCCCc1nc(C[N@@H+]2CC[C@H](c3nc(C)c[nH]3)C2)c[nH]1 ZINC000257252083 190020240 /nfs/dbraw/zinc/02/02/40/190020240.db2.gz JTMMAZWQWSKAQM-ZDUSSCGKSA-N 1 1 287.411 2.773 40 0 CFABMO CCCCc1nc(C[N@H+]2CC[C@H](c3nc(C)c[nH]3)C2)c[nH]1 ZINC000257252083 190020241 /nfs/dbraw/zinc/02/02/41/190020241.db2.gz JTMMAZWQWSKAQM-ZDUSSCGKSA-N 1 1 287.411 2.773 40 0 CFABMO CNc1cc([C@@H]2CCC[N@H+]2Cc2cccnc2NC)ccn1 ZINC000257266250 190023248 /nfs/dbraw/zinc/02/32/48/190023248.db2.gz MCDRJPFZHCIKLR-HNNXBMFYSA-N 1 1 297.406 2.897 40 0 CFABMO Cc1ncc(C[N@H+]2CCC[C@@H]2c2ccnc(N(C)C)c2)cn1 ZINC000257268936 190023997 /nfs/dbraw/zinc/02/39/97/190023997.db2.gz MNWNCODQAHXREK-MRXNPFEDSA-N 1 1 297.406 2.583 40 0 CFABMO Cc1ncc(C[N@@H+]2CCC[C@@H]2c2ccnc(N(C)C)c2)cn1 ZINC000257268936 190023998 /nfs/dbraw/zinc/02/39/98/190023998.db2.gz MNWNCODQAHXREK-MRXNPFEDSA-N 1 1 297.406 2.583 40 0 CFABMO Cc1cccc(C[C@H]2CCC[N@H+](Cc3ncc[nH]3)C2)n1 ZINC000257255435 190021058 /nfs/dbraw/zinc/02/10/58/190021058.db2.gz KHLQONWBRSFLBG-CQSZACIVSA-N 1 1 270.380 2.568 40 0 CFABMO Cc1cccc(C[C@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)n1 ZINC000257255435 190021059 /nfs/dbraw/zinc/02/10/59/190021059.db2.gz KHLQONWBRSFLBG-CQSZACIVSA-N 1 1 270.380 2.568 40 0 CFABMO Cc1cc(C)nc([C@H]2CC[N@@H+](Cc3nccn3C(C)C)C2)n1 ZINC000257255903 190021790 /nfs/dbraw/zinc/02/17/90/190021790.db2.gz KJJCKNPCFSYZAR-HNNXBMFYSA-N 1 1 299.422 2.860 40 0 CFABMO Cc1cc(C)nc([C@H]2CC[N@H+](Cc3nccn3C(C)C)C2)n1 ZINC000257255903 190021791 /nfs/dbraw/zinc/02/17/91/190021791.db2.gz KJJCKNPCFSYZAR-HNNXBMFYSA-N 1 1 299.422 2.860 40 0 CFABMO c1ccc(C[C@H]2CC3(C[NH+](Cc4ccccn4)C3)CO2)cc1 ZINC000257263073 190022209 /nfs/dbraw/zinc/02/22/09/190022209.db2.gz 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/nfs/dbraw/zinc/02/55/46/190025546.db2.gz OLWWDSCGWSZKIK-KRWDZBQOSA-N 1 1 287.451 2.739 40 0 CFABMO CN(C)c1cc([C@H]2CCC[N@@H+](Cc3ccccn3)C2)ccn1 ZINC000257278364 190025880 /nfs/dbraw/zinc/02/58/80/190025880.db2.gz OBYRUEORQBNDNK-INIZCTEOSA-N 1 1 296.418 2.922 40 0 CFABMO c1cc(NC2CC3(C2)CC[N@H+](CC2CCC2)C3)ncn1 ZINC000257281230 190026394 /nfs/dbraw/zinc/02/63/94/190026394.db2.gz OOFMBQSRLOEYOG-UHFFFAOYSA-N 1 1 272.396 2.543 40 0 CFABMO c1[nH]nc2nc([C@H]3CCC[N@H+](CC4CC4)C3)ccc12 ZINC000257276044 190024641 /nfs/dbraw/zinc/02/46/41/190024641.db2.gz NSDLEIBAMGXMDJ-ZDUSSCGKSA-N 1 1 256.353 2.547 40 0 CFABMO Cc1ncsc1C[N@H+]1CCC[C@H](Cc2cc[nH]n2)C1 ZINC000257296896 190028325 /nfs/dbraw/zinc/02/83/25/190028325.db2.gz REWUFBULRWJFAF-GFCCVEGCSA-N 1 1 276.409 2.629 40 0 CFABMO Cc1ncsc1C[N@@H+]1CCC[C@H](Cc2ccn[nH]2)C1 ZINC000257296896 190028326 /nfs/dbraw/zinc/02/83/26/190028326.db2.gz REWUFBULRWJFAF-GFCCVEGCSA-N 1 1 276.409 2.629 40 0 CFABMO Cc1ncsc1C[N@H+]1CCC[C@H](Cc2ccn[nH]2)C1 ZINC000257296896 190028327 /nfs/dbraw/zinc/02/83/27/190028327.db2.gz REWUFBULRWJFAF-GFCCVEGCSA-N 1 1 276.409 2.629 40 0 CFABMO CC(C)[N@H+]1CCC[C@@H](Cc2nccnc2-c2ccnn2C)C1 ZINC000257293690 190028503 /nfs/dbraw/zinc/02/85/03/190028503.db2.gz QQSSCJWYLBUGAC-AWEZNQCLSA-N 1 1 299.422 2.540 40 0 CFABMO Cc1c[nH]c([C@@H]2CCC[N@@H+](CC3(O)CCCCC3)C2)n1 ZINC000257299630 190029893 /nfs/dbraw/zinc/02/98/93/190029893.db2.gz RQVPDVWDQITBQK-CQSZACIVSA-N 1 1 277.412 2.593 40 0 CFABMO c1ccc(CC[N@H+]2CCC[C@H](c3ccncn3)C2)cc1 ZINC000257302387 190030433 /nfs/dbraw/zinc/03/04/33/190030433.db2.gz SCSPBNJZVHWPLS-INIZCTEOSA-N 1 1 267.376 2.899 40 0 CFABMO Cc1c[nH]nc1C[C@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000257304344 190030553 /nfs/dbraw/zinc/03/05/53/190030553.db2.gz SLEHMXAMPLHXOZ-CQSZACIVSA-N 1 1 270.380 2.568 40 0 CFABMO CCn1cc(C[N@@H+]2CCC[C@@H]2c2ccnc(N(C)C)c2)cn1 ZINC000257310449 190032128 /nfs/dbraw/zinc/03/21/28/190032128.db2.gz UFCXKEVVCNKIIQ-MRXNPFEDSA-N 1 1 299.422 2.701 40 0 CFABMO CCn1cc(C[N@H+]2CCC[C@@H]2c2ccnc(N(C)C)c2)cn1 ZINC000257310449 190032129 /nfs/dbraw/zinc/03/21/29/190032129.db2.gz UFCXKEVVCNKIIQ-MRXNPFEDSA-N 1 1 299.422 2.701 40 0 CFABMO CNc1cc(C)nc([C@H]2CC[N@H+](Cc3ccncc3)C2)c1 ZINC000257333101 190035421 /nfs/dbraw/zinc/03/54/21/190035421.db2.gz YADWCNINSPBORK-HNNXBMFYSA-N 1 1 282.391 2.816 40 0 CFABMO CNc1cc(C)nc([C@H]2CC[N@@H+](Cc3ccncc3)C2)c1 ZINC000257333101 190035422 /nfs/dbraw/zinc/03/54/22/190035422.db2.gz YADWCNINSPBORK-HNNXBMFYSA-N 1 1 282.391 2.816 40 0 CFABMO CCOCC[N@H+]1CCC[C@@H](Cc2cccc(C)n2)C1 ZINC000257333759 190035845 /nfs/dbraw/zinc/03/58/45/190035845.db2.gz YCXYJYZQIKFTNZ-HNNXBMFYSA-N 1 1 262.397 2.681 40 0 CFABMO CCCn1nccc1-c1cc([C@@H]2CCC[N@H+]2C)nc(C)n1 ZINC000257332295 190035926 /nfs/dbraw/zinc/03/59/26/190035926.db2.gz XWQSELRXPYMEME-HNNXBMFYSA-N 1 1 285.395 2.825 40 0 CFABMO CCn1nccc1-c1cnc([C@@H]2CCC[N@H+]2C(C)C)cn1 ZINC000257334475 190036268 /nfs/dbraw/zinc/03/62/68/190036268.db2.gz YGBLIMPEFMSUJM-HNNXBMFYSA-N 1 1 285.395 2.905 40 0 CFABMO CNc1cc([C@@H]2CCC[N@@H+](Cc3cccn3C)C2)ccn1 ZINC000257334331 190036534 /nfs/dbraw/zinc/03/65/34/190036534.db2.gz YFLHQZYNWZQHKI-OAHLLOKOSA-N 1 1 284.407 2.841 40 0 CFABMO c1cc([C@@H]2CC[N@H+](Cc3ccc4cc[nH]c4c3)C2)n[nH]1 ZINC000257339865 190037038 /nfs/dbraw/zinc/03/70/38/190037038.db2.gz ZDNBPOHZXKCCJF-CQSZACIVSA-N 1 1 266.348 2.881 40 0 CFABMO c1cc([C@@H]2CC[N@@H+](Cc3ccc4cc[nH]c4c3)C2)[nH]n1 ZINC000257339865 190037039 /nfs/dbraw/zinc/03/70/39/190037039.db2.gz ZDNBPOHZXKCCJF-CQSZACIVSA-N 1 1 266.348 2.881 40 0 CFABMO c1cc([C@@H]2CC[N@H+](Cc3ccc4cc[nH]c4c3)C2)[nH]n1 ZINC000257339865 190037040 /nfs/dbraw/zinc/03/70/40/190037040.db2.gz ZDNBPOHZXKCCJF-CQSZACIVSA-N 1 1 266.348 2.881 40 0 CFABMO C[N@H+]1CCN(CCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000257341918 190037143 /nfs/dbraw/zinc/03/71/43/190037143.db2.gz ZMLFEKCQVYURQN-ZDUSSCGKSA-N 1 1 272.314 2.928 40 0 CFABMO c1cc(CC[C@H]2CCC[N@H+]2CC2CCOCC2)ccn1 ZINC000257344448 190037891 /nfs/dbraw/zinc/03/78/91/190037891.db2.gz ZXFNVNYFCXSZBB-QGZVFWFLSA-N 1 1 274.408 2.905 40 0 CFABMO Cc1cccc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2ccccn2)n1 ZINC000306140902 382453065 /nfs/dbraw/zinc/45/30/65/382453065.db2.gz VGMMNRHFPGMNPO-DLBZAZTESA-N 1 1 294.402 2.638 40 0 CFABMO Cc1noc(C)c1CN1CC[C@H]2[C@@H]1CC[N@@H+]2CC(C)C ZINC000306139393 382453123 /nfs/dbraw/zinc/45/31/23/382453123.db2.gz SWBJLSRZBJILMZ-HOTGVXAUSA-N 1 1 277.412 2.596 40 0 CFABMO O=C1OC[C@@H]2CC[N@@H+](C3CCC3)Cc3ccc(F)cc3N12 ZINC000225484379 382817098 /nfs/dbraw/zinc/81/70/98/382817098.db2.gz LUSZLRFYTACNGF-AWEZNQCLSA-N 1 1 290.338 2.909 40 0 biogenic,in-vitro CFABMO CC(C)[N@H+]1CCC[C@H]1c1cccc(N2CCOC2=O)n1 ZINC000257223734 383493191 /nfs/dbraw/zinc/49/31/91/383493191.db2.gz DYQBUGZGCKSWDT-ZDUSSCGKSA-N 1 1 275.352 2.584 40 0 CFABMO CC(C)[N@H+]1CCC[C@H]1c1cncc(-c2ncco2)n1 ZINC000257314646 383494721 /nfs/dbraw/zinc/49/47/21/383494721.db2.gz UXWMWYXXRFVBTB-ZDUSSCGKSA-N 1 1 258.325 2.677 40 0 CFABMO CNc1cccc(CC[C@@H]2CCCCN2c2ncccn2)[nH+]1 ZINC000257318103 383495051 /nfs/dbraw/zinc/49/50/51/383495051.db2.gz VMNINBFXCAODRR-HNNXBMFYSA-N 1 1 297.406 2.905 40 0 CFABMO O[C@H]1C[C@@H]2CCC[N@@H+]3CCc4c5ccccc5n1c4[C@H]23 ZINC000084758354 285370329 /nfs/dbraw/zinc/37/03/29/285370329.db2.gz KOIGYXJOGRVNIS-UVBJJODRSA-N 1 1 268.360 2.845 40 0 in-man CFABMO O[C@H]1C[C@@H]2CCC[N@H+]3CCc4c5ccccc5n1c4[C@H]23 ZINC000084758354 285370330 /nfs/dbraw/zinc/37/03/30/285370330.db2.gz KOIGYXJOGRVNIS-UVBJJODRSA-N 1 1 268.360 2.845 40 0 in-man CFABMO Cc1cccc(OC[C@@H](O)C[N@@H+]2CCCC[C@H]2C)c1 ZINC000245229238 131084097 /nfs/dbraw/zinc/08/40/97/131084097.db2.gz RQGZRNBQLOZLAS-CABCVRRESA-N 1 1 263.381 2.609 40 0 CFABMO COc1ccc(CN[C@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000012489648 393474033 /nfs/dbraw/zinc/47/40/33/393474033.db2.gz DAGGEUHIWOTDNG-GUTXKFCHSA-N 1 1 292.423 2.522 40 0 CFABMO CC(C)[C@H]([NH3+])c1nc(C2=Cc3ccccc3OC2)no1 ZINC000062716585 393627222 /nfs/dbraw/zinc/62/72/22/393627222.db2.gz PHWHFNXOGZAYSY-ZDUSSCGKSA-N 1 1 271.320 2.658 40 0 CFABMO CCc1ccc([C@H]2[C@H]([NH3+])C(=O)N2c2ccc(OC)cc2)cc1 ZINC000072227179 393647603 /nfs/dbraw/zinc/64/76/03/393647603.db2.gz RYBFIYBCLOFPOK-IRXDYDNUSA-N 1 1 296.370 2.673 40 0 CFABMO [NH3+][C@H]1C(=O)N(c2ccccc2)[C@H]1c1ccccc1Cl ZINC000072227369 393647927 /nfs/dbraw/zinc/64/79/27/393647927.db2.gz GXHDDJJKOLFCJH-KGLIPLIRSA-N 1 1 272.735 2.755 40 0 CFABMO CCOc1ccc(N2C(=O)[C@@H]([NH3+])[C@H]2c2ccc(C)cc2)cc1 ZINC000072228062 393648950 /nfs/dbraw/zinc/64/89/50/393648950.db2.gz AXRVTZQAAJBOCS-DLBZAZTESA-N 1 1 296.370 2.809 40 0 CFABMO CCc1ccc(N2C(=O)[C@@H]([NH3+])[C@H]2c2cccc(OC)c2)cc1 ZINC000072228018 393649194 /nfs/dbraw/zinc/64/91/94/393649194.db2.gz UPHNHECGXZBDJR-DLBZAZTESA-N 1 1 296.370 2.673 40 0 CFABMO CCc1ccc(N2C(=O)[C@@H]([NH3+])[C@H]2c2ccccc2F)cc1 ZINC000072228038 393649235 /nfs/dbraw/zinc/64/92/35/393649235.db2.gz NVFHPTYCEDTHBV-JKSUJKDBSA-N 1 1 284.334 2.803 40 0 CFABMO CCc1ccc([C@@H]2[C@@H]([NH3+])C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000072228240 393650473 /nfs/dbraw/zinc/65/04/73/393650473.db2.gz NUJJKELQWJRIJT-IAGOWNOFSA-N 1 1 298.361 2.799 40 0 CFABMO CC(C)(C)OC(=O)N1CCC(Cc2[nH]cc[nH+]2)CC1 ZINC000148391952 394248301 /nfs/dbraw/zinc/24/83/01/394248301.db2.gz LLZQLUDFDQLRHG-UHFFFAOYSA-N 1 1 265.357 2.599 40 0 CFABMO CC[C@H](C)N1C[C@@]2(CCC[N@H+]([C@@H](C)CC)C2)C1=O ZINC000585099310 395100397 /nfs/dbraw/zinc/10/03/97/395100397.db2.gz CMLCFZXWVNFPCH-YDHLFZDLSA-N 1 1 252.402 2.508 40 0 CFABMO Cc1ccc(C(=O)N2CCC[C@@]3(CCC[N@@H+]3C)CC2)o1 ZINC000585100146 395100468 /nfs/dbraw/zinc/10/04/68/395100468.db2.gz GUKDIZGVTDBDOV-INIZCTEOSA-N 1 1 276.380 2.679 40 0 CFABMO O=C(OC[C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1O ZINC000005679257 170127500 /nfs/dbraw/zinc/12/75/00/170127500.db2.gz FPBZOZUALKCMGP-UKRRQHHQSA-N 1 1 289.375 2.814 40 0 biogenic,in-vitro CFABMO C[C@H]1[C@@H](C(=O)NCCc2ccccc2)C[C@H]2CCCC[N@H+]21 ZINC000005758908 170137361 /nfs/dbraw/zinc/13/73/61/170137361.db2.gz DWHJHICDODTXMK-UAGQMJEPSA-N 1 1 286.419 2.608 40 0 CFABMO C[C@@H]1CCCC[N@H+]1C[C@H](O)COc1ccccc1Cl ZINC000006455047 170202362 /nfs/dbraw/zinc/20/23/62/170202362.db2.gz UKYJCOVBHITCED-OLZOCXBDSA-N 1 1 283.799 2.954 40 0 CFABMO COc1cc(C=O)ccc1OCC[N@H+]1CCC[C@@H](C)C1 ZINC000009261302 170369176 /nfs/dbraw/zinc/36/91/76/170369176.db2.gz NVTIZANZXKWMCV-CYBMUJFWSA-N 1 1 277.364 2.618 40 0 CFABMO OCc1ccc(C[N@H+]2CC[C@H](c3nc4ccccc4[nH]3)C2)o1 ZINC000035446639 172202941 /nfs/dbraw/zinc/20/29/41/172202941.db2.gz NGCBPZRTJIOLNE-LBPRGKRZSA-N 1 1 297.358 2.638 40 0 biogenic,in-vitro CFABMO OC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000037263098 173073218 /nfs/dbraw/zinc/07/32/18/173073218.db2.gz ZHDSKQDEYFYQBV-MSOLQXFVSA-N 1 1 267.372 2.895 40 0 CFABMO O[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000038539843 174145325 /nfs/dbraw/zinc/14/53/25/174145325.db2.gz DMSNRIJBUKGIEE-GFCCVEGCSA-N 1 1 259.271 2.662 40 0 CFABMO C[N@H+]1CCCC[C@H]1c1cncc(NCCc2ccccn2)n1 ZINC000072366326 176381300 /nfs/dbraw/zinc/38/13/00/176381300.db2.gz NOVPYBWMLXGTGH-INIZCTEOSA-N 1 1 297.406 2.683 40 0 CFABMO CNc1ncccc1C[N@H+]1CC[C@@H](c2nc(C)cc(C)n2)C1 ZINC000072369809 176383887 /nfs/dbraw/zinc/38/38/87/176383887.db2.gz HSDMHYDCUGGUNU-OAHLLOKOSA-N 1 1 297.406 2.520 40 0 CFABMO Cc1ccc(C[N@H+]2CCC[C@H](c3cncc(C)n3)C2)cn1 ZINC000072369410 176384091 /nfs/dbraw/zinc/38/40/91/176384091.db2.gz KEZXDQMAYCFLMB-INIZCTEOSA-N 1 1 282.391 2.868 40 0 CFABMO Cc1cccc(C[N@H+]2CC[C@H](c3nc(C)cc(C)n3)C2)n1 ZINC000072369721 176384386 /nfs/dbraw/zinc/38/43/86/176384386.db2.gz QQROMQMKZRNMCF-HNNXBMFYSA-N 1 1 282.391 2.786 40 0 CFABMO c1cn(-c2cncc([C@@H]3CCC[N@@H+]3C3CCCC3)n2)cn1 ZINC000072378703 176385661 /nfs/dbraw/zinc/38/56/61/176385661.db2.gz CVTVPAFAFNGKST-HNNXBMFYSA-N 1 1 283.379 2.742 40 0 CFABMO COCC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000072380817 176387016 /nfs/dbraw/zinc/38/70/16/176387016.db2.gz IZFGTDMZKNNKPS-CQSZACIVSA-N 1 1 259.353 2.736 40 0 CFABMO COCC[N@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000072380817 176387017 /nfs/dbraw/zinc/38/70/17/176387017.db2.gz IZFGTDMZKNNKPS-CQSZACIVSA-N 1 1 259.353 2.736 40 0 CFABMO Cc1ncccc1Oc1nccnc1[C@@H]1CCC[N@H+](C)C1 ZINC000072383480 176388996 /nfs/dbraw/zinc/38/89/96/176388996.db2.gz MFTJEHROMOEAFV-CYBMUJFWSA-N 1 1 284.363 2.782 40 0 CFABMO Cc1c[nH]nc1[C@H]1CCC[N@@H+]1Cc1cccc(C)n1 ZINC000072385799 176390565 /nfs/dbraw/zinc/39/05/65/176390565.db2.gz LTQJMZFEEYNFNT-CQSZACIVSA-N 1 1 256.353 2.759 40 0 CFABMO Cc1c[nH]nc1[C@H]1CCC[N@H+]1Cc1cccc(C)n1 ZINC000072385799 176390566 /nfs/dbraw/zinc/39/05/66/176390566.db2.gz LTQJMZFEEYNFNT-CQSZACIVSA-N 1 1 256.353 2.759 40 0 CFABMO O=C(C[NH+]1CCCC1)Nc1ccccc1C(F)(F)F ZINC000014152868 260078819 /nfs/dbraw/zinc/07/88/19/260078819.db2.gz PLLAJAIUQAEKKD-UHFFFAOYSA-N 1 1 272.270 2.740 40 0 CFABMO CC[N@H+](CCO)[C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000006384905 276349662 /nfs/dbraw/zinc/34/96/62/276349662.db2.gz CRGXGMVIBJKLHQ-KRWDZBQOSA-N 1 1 283.371 2.925 40 0 CFABMO CC[N@@H+](CCO)[C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000006384905 276349665 /nfs/dbraw/zinc/34/96/65/276349665.db2.gz CRGXGMVIBJKLHQ-KRWDZBQOSA-N 1 1 283.371 2.925 40 0 CFABMO C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cc2)C1 ZINC000082325498 277053148 /nfs/dbraw/zinc/05/31/48/277053148.db2.gz FJAPXYKIFSJQEJ-SNVBAGLBSA-N 1 1 297.196 2.729 40 0 CFABMO CC[N@H+]1CCOC[C@]2(CCCN(Cc3ccsc3)C2)C1 ZINC000096049589 279382695 /nfs/dbraw/zinc/38/26/95/279382695.db2.gz FYXTXTIEKNVLCG-MRXNPFEDSA-N 1 1 294.464 2.682 40 0 CFABMO CCN1CCOC[C@]2(CCC[N@H+](Cc3ccsc3)C2)C1 ZINC000096049589 279382699 /nfs/dbraw/zinc/38/26/99/279382699.db2.gz FYXTXTIEKNVLCG-MRXNPFEDSA-N 1 1 294.464 2.682 40 0 CFABMO CCN1CCOC[C@]2(CCC[N@@H+](Cc3ccsc3)C2)C1 ZINC000096049589 279382702 /nfs/dbraw/zinc/38/27/02/279382702.db2.gz FYXTXTIEKNVLCG-MRXNPFEDSA-N 1 1 294.464 2.682 40 0 CFABMO Cc1c(C[NH2+]Cc2ccnn2C(F)F)cnn1C(C)C ZINC000256053698 280227083 /nfs/dbraw/zinc/22/70/83/280227083.db2.gz SMUGNJLWVKCVEH-UHFFFAOYSA-N 1 1 283.326 2.654 40 0 CFABMO c1csc(CC[N@@H+]2CCN[C@H]3CCCC[C@@H]32)c1 ZINC000225712594 333182138 /nfs/dbraw/zinc/18/21/38/333182138.db2.gz CFVCBVTVWWLKNC-KBPBESRZSA-N 1 1 250.411 2.507 40 0 CFABMO c1csc(CC[N@H+]2CCN[C@H]3CCCC[C@@H]32)c1 ZINC000225712594 333182139 /nfs/dbraw/zinc/18/21/39/333182139.db2.gz CFVCBVTVWWLKNC-KBPBESRZSA-N 1 1 250.411 2.507 40 0 CFABMO CC(C)(C)c1n[nH]c(CC[NH+]2CCCCCC2)n1 ZINC000062719495 519094151 /nfs/dbraw/zinc/09/41/51/519094151.db2.gz NYTYFSRBSDBLCH-UHFFFAOYSA-N 1 1 250.390 2.521 40 0 CFABMO C[C@@]1(CO)C[N@@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC000228905389 525855598 /nfs/dbraw/zinc/85/55/98/525855598.db2.gz NEPDTEDKCCEHIC-STQMWFEESA-N 1 1 273.298 2.679 40 0 CFABMO Cc1nn(C)c(C)c1C[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000157024551 230394920 /nfs/dbraw/zinc/39/49/20/230394920.db2.gz HMVNNHOSNVXVEI-ZDUSSCGKSA-N 1 1 290.436 2.873 40 0 CFABMO Cc1ccc([C@@H]([NH3+])c2nnc(-c3cccc(F)c3)[nH]2)cc1 ZINC000095534173 185007279 /nfs/dbraw/zinc/00/72/79/185007279.db2.gz BEDGFQNSIBRVNL-CQSZACIVSA-N 1 1 282.322 2.967 40 0 CFABMO CCOc1cc(-c2n[nH]c([C@H]([NH3+])C(C)C)n2)ccc1OC ZINC000095534808 185008252 /nfs/dbraw/zinc/00/82/52/185008252.db2.gz WVZVVEIPFWMZOR-CYBMUJFWSA-N 1 1 290.367 2.535 40 0 CFABMO C[C@@H](O)C[NH2+][C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000095934838 185033340 /nfs/dbraw/zinc/03/33/40/185033340.db2.gz NXCFIZSEZMALQB-CJNGLKHVSA-N 1 1 269.344 2.581 40 0 CFABMO CCc1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N3)[C@@H]2CC)o1 ZINC000096038493 185068656 /nfs/dbraw/zinc/06/86/56/185068656.db2.gz PNONEQFZGDLNNP-RDJZCZTQSA-N 1 1 290.407 2.865 40 0 CFABMO CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(C)o1)C2 ZINC000096039329 185069770 /nfs/dbraw/zinc/06/97/70/185069770.db2.gz DEJDKHNIGFFHTQ-DLBZAZTESA-N 1 1 293.407 2.996 40 0 CFABMO C[N@H+]1CCCCC12CCN(Cc1ccncc1)CC2 ZINC000096051201 185073721 /nfs/dbraw/zinc/07/37/21/185073721.db2.gz DWTBEAIRRFBODW-UHFFFAOYSA-N 1 1 259.397 2.532 40 0 CFABMO C[N@H+]1CCCCC12CCN(Cc1cccnc1)CC2 ZINC000096051200 185073952 /nfs/dbraw/zinc/07/39/52/185073952.db2.gz MDUJVDCDDIZZMI-UHFFFAOYSA-N 1 1 259.397 2.532 40 0 CFABMO Cc1noc(C)c1CN1CC[C@H]2[C@H]1CC[N@@H+]2CC(C)C ZINC000096055776 185075913 /nfs/dbraw/zinc/07/59/13/185075913.db2.gz SWBJLSRZBJILMZ-JKSUJKDBSA-N 1 1 277.412 2.596 40 0 CFABMO COC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000096056715 185077096 /nfs/dbraw/zinc/07/70/96/185077096.db2.gz SNXMDLDSVAGHFS-SJORKVTESA-N 1 1 293.382 2.843 40 0 CFABMO CCO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1cccs1 ZINC000096057787 185079620 /nfs/dbraw/zinc/07/96/20/185079620.db2.gz OPBMJTKMGMSAMD-BFHYXJOUSA-N 1 1 267.394 2.516 40 0 CFABMO CCO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1cccs1 ZINC000096057787 185079622 /nfs/dbraw/zinc/07/96/22/185079622.db2.gz OPBMJTKMGMSAMD-BFHYXJOUSA-N 1 1 267.394 2.516 40 0 CFABMO CCn1cc2c(n1)[C@H](COC)C[N@@H+](Cc1ccsc1)C2 ZINC000096059874 185081747 /nfs/dbraw/zinc/08/17/47/185081747.db2.gz GSPVGYVQFUYYAM-AWEZNQCLSA-N 1 1 291.420 2.710 40 0 CFABMO CCn1cc2c(n1)[C@H](COC)C[N@H+](Cc1ccsc1)C2 ZINC000096059874 185081748 /nfs/dbraw/zinc/08/17/48/185081748.db2.gz GSPVGYVQFUYYAM-AWEZNQCLSA-N 1 1 291.420 2.710 40 0 CFABMO c1ccc(C[N@@H+]2CCC3(CN(Cc4ccccn4)C3)C2)cc1 ZINC000096070801 185086212 /nfs/dbraw/zinc/08/62/12/185086212.db2.gz PMIZXDHMUAYZPS-UHFFFAOYSA-N 1 1 293.414 2.790 40 0 CFABMO c1nnc(N2CCC[C@@]3(CC[N@H+](CC4CCC4)C3)C2)s1 ZINC000096071637 185087003 /nfs/dbraw/zinc/08/70/03/185087003.db2.gz BNZCKSYOBHVVSI-HNNXBMFYSA-N 1 1 292.452 2.631 40 0 CFABMO c1ccc(C[N@@H+]2CCC3(CN(Cc4ccncc4)C3)C2)cc1 ZINC000096070799 185087253 /nfs/dbraw/zinc/08/72/53/185087253.db2.gz OIRHFFGBNQENAY-UHFFFAOYSA-N 1 1 293.414 2.790 40 0 CFABMO CCC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](CC)[C@@H]2C1 ZINC000096083407 185092732 /nfs/dbraw/zinc/09/27/32/185092732.db2.gz RIUVUINPIUCPPW-AEFFLSMTSA-N 1 1 286.419 2.661 40 0 CFABMO CC[C@H]1[N@@H+](Cc2cccs2)CCC[C@]12CCC(=O)N2 ZINC000096100123 185098215 /nfs/dbraw/zinc/09/82/15/185098215.db2.gz RTKRQVDUPQYPAE-HIFRSBDPSA-N 1 1 278.421 2.771 40 0 CFABMO CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1scnc1C)C2 ZINC000096107457 185099354 /nfs/dbraw/zinc/09/93/54/185099354.db2.gz QEDIBVNZYQSMAD-ZFWWWQNUSA-N 1 1 296.436 2.612 40 0 CFABMO CO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1sccc1C)C2 ZINC000096107195 185099549 /nfs/dbraw/zinc/09/95/49/185099549.db2.gz DPSBOGRFAIEPFT-HIFRSBDPSA-N 1 1 281.421 2.826 40 0 CFABMO COc1ccc(C[C@H]2C[N@H+](CC3CC3)CC[C@H]2OC)cc1 ZINC000096110268 185101014 /nfs/dbraw/zinc/10/10/14/185101014.db2.gz ZDQRJOPMOKZNJB-FUHWJXTLSA-N 1 1 289.419 2.985 40 0 CFABMO COc1ccc2c(c1)CCN(c1cc[nH+]c(NC(C)C)n1)C2 ZINC000329008528 136377313 /nfs/dbraw/zinc/37/73/13/136377313.db2.gz LSLYOSJFBKMOME-UHFFFAOYSA-N 1 1 298.390 2.868 40 0 CFABMO CCc1[nH+]ccn1CCCNC(=O)/C=C/c1ccc(C)cc1 ZINC000010332593 346226603 /nfs/dbraw/zinc/22/66/03/346226603.db2.gz PVNMMVWRXCNXRV-MDZDMXLPSA-N 1 1 297.402 2.974 40 0 CFABMO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1C[N@@H+]2Cc1ccccc1 ZINC000114864420 347775757 /nfs/dbraw/zinc/77/57/57/347775757.db2.gz QYAYEQNJXBSCAW-CABCVRRESA-N 1 1 288.391 2.880 40 0 CFABMO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1C[N@H+]2Cc1ccccc1 ZINC000114864420 347775758 /nfs/dbraw/zinc/77/57/58/347775758.db2.gz QYAYEQNJXBSCAW-CABCVRRESA-N 1 1 288.391 2.880 40 0 CFABMO C[N@H+]1CC[C@]12CCCN(C(=O)c1nccc3ccccc31)C2 ZINC000585102350 348734184 /nfs/dbraw/zinc/73/41/84/348734184.db2.gz XVSVVIKJSOUOHH-SFHVURJKSA-N 1 1 295.386 2.545 40 0 CFABMO CCCCn1cc(C[N@H+]2CC[C@H](c3cc[nH]n3)C2)c(C)n1 ZINC000585181901 348737918 /nfs/dbraw/zinc/73/79/18/348737918.db2.gz GIEKDUGHGZOZBT-AWEZNQCLSA-N 1 1 287.411 2.704 40 0 CFABMO CC(C)[N@H+]1CC[C@@]2(c3ccccc3)CCN(C)[C@H]2C1 ZINC000107260283 186164526 /nfs/dbraw/zinc/16/45/26/186164526.db2.gz QAUBHKPALPHLRH-DLBZAZTESA-N 1 1 258.409 2.743 40 0 CFABMO CC(C)N1CC[C@@]2(c3ccccc3)CC[N@H+](C)[C@H]2C1 ZINC000107260283 186164527 /nfs/dbraw/zinc/16/45/27/186164527.db2.gz QAUBHKPALPHLRH-DLBZAZTESA-N 1 1 258.409 2.743 40 0 CFABMO CC(C)N1CC[C@@]2(c3ccccc3)CC[N@@H+](C)[C@H]2C1 ZINC000107260283 186164528 /nfs/dbraw/zinc/16/45/28/186164528.db2.gz 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c1nc(C[N@H+]2CCC[C@H](Cc3cccnc3)C2)cs1 ZINC000257312440 190032241 /nfs/dbraw/zinc/03/22/41/190032241.db2.gz UNYKOFIPZHGVLX-CQSZACIVSA-N 1 1 273.405 2.993 40 0 CFABMO c1nc(C[N@@H+]2CCC[C@H](Cc3cccnc3)C2)cs1 ZINC000257312440 190032242 /nfs/dbraw/zinc/03/22/42/190032242.db2.gz UNYKOFIPZHGVLX-CQSZACIVSA-N 1 1 273.405 2.993 40 0 CFABMO CNc1cc([C@H]2CCC[N@H+](Cc3cscn3)C2)ccn1 ZINC000257314977 190032474 /nfs/dbraw/zinc/03/24/74/190032474.db2.gz UZJVIGKUEGACEH-ZDUSSCGKSA-N 1 1 288.420 2.959 40 0 CFABMO CNc1cc([C@H]2CCC[N@@H+](Cc3cscn3)C2)ccn1 ZINC000257314977 190032475 /nfs/dbraw/zinc/03/24/75/190032475.db2.gz UZJVIGKUEGACEH-ZDUSSCGKSA-N 1 1 288.420 2.959 40 0 CFABMO Cc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ncccc2C)C1 ZINC000257337097 190035998 /nfs/dbraw/zinc/03/59/98/190035998.db2.gz YRIJVOHJPJGJMB-CQSZACIVSA-N 1 1 270.380 2.801 40 0 CFABMO Cc1ccnc([C@H]2CC[N@@H+](Cc3ccsc3)C2)n1 ZINC000205693848 382773730 /nfs/dbraw/zinc/77/37/30/382773730.db2.gz WJNNLNMGHIRLCA-ZDUSSCGKSA-N 1 1 259.378 2.836 40 0 CFABMO COC(=O)[C@@](C)(c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000216521376 382784082 /nfs/dbraw/zinc/78/40/82/382784082.db2.gz HWRSLXQXYZTRKB-CZUORRHYSA-N 1 1 261.365 2.807 40 0 CFABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C(C)(C)C ZINC000223985291 382808458 /nfs/dbraw/zinc/80/84/58/382808458.db2.gz CHNKSZMKKMMTFQ-CYBMUJFWSA-N 1 1 254.418 2.803 40 0 CFABMO COCC[C@@H]1CCOC12C[NH+](Cc1ccccc1C)C2 ZINC000248147118 383214366 /nfs/dbraw/zinc/21/43/66/383214366.db2.gz IDPSQXLHNHGCLJ-MRXNPFEDSA-N 1 1 275.392 2.622 40 0 CFABMO CCOC[C@@H]1CC[C@@H]2[C@H]1OCC[N@@H+]2Cc1cccs1 ZINC000253381022 383453501 /nfs/dbraw/zinc/45/35/01/383453501.db2.gz CJLOFZFODUHGCZ-CFVMTHIKSA-N 1 1 281.421 2.764 40 0 CFABMO CCOC[C@@H]1CC[C@@H]2[C@H]1OCC[N@H+]2Cc1cccs1 ZINC000253381022 383453505 /nfs/dbraw/zinc/45/35/05/383453505.db2.gz CJLOFZFODUHGCZ-CFVMTHIKSA-N 1 1 281.421 2.764 40 0 CFABMO CC(=O)N1CCC[C@H]1c1ccc(N2CCCC2)[nH+]c1C ZINC000072218913 256707710 /nfs/dbraw/zinc/70/77/10/256707710.db2.gz YHYPFNHHNWEFGH-HNNXBMFYSA-N 1 1 273.380 2.674 40 0 CFABMO CC(C)[N@H+]1CCCC[C@H]1c1cccnc1N1CCOCC1 ZINC000072216243 256710727 /nfs/dbraw/zinc/71/07/27/256710727.db2.gz FYMPNMKYTDBKDR-INIZCTEOSA-N 1 1 289.423 2.854 40 0 CFABMO CN(C)CC[N@H+](CCc1ccccc1)Cc1ccncc1 ZINC000022913735 393490218 /nfs/dbraw/zinc/49/02/18/393490218.db2.gz TVMILAZOPDNKDS-UHFFFAOYSA-N 1 1 283.419 2.688 40 0 CFABMO CN(C)CC[N@@H+](CCc1ccccc1)Cc1ccncc1 ZINC000022913735 393490219 /nfs/dbraw/zinc/49/02/19/393490219.db2.gz TVMILAZOPDNKDS-UHFFFAOYSA-N 1 1 283.419 2.688 40 0 CFABMO Fc1ccc(-c2noc([C@@H]3CCC[N@H+]3C3CCC3)n2)nc1 ZINC000049155429 393611259 /nfs/dbraw/zinc/61/12/59/393611259.db2.gz DFNGADPOVUXUDY-ZDUSSCGKSA-N 1 1 288.326 2.960 40 0 biogenic,in-vitro CFABMO Cc1cc(N2CC[NH2+]CC2)c2cc(Cl)cc(C)c2n1 ZINC000068136531 393634538 /nfs/dbraw/zinc/63/45/38/393634538.db2.gz XYAAYERZZZMLIK-UHFFFAOYSA-N 1 1 275.783 2.915 40 0 CFABMO CC(=O)N1CCCC[C@H]1c1ccc(N(C)C)[nH+]c1C ZINC000072218774 393644807 /nfs/dbraw/zinc/64/48/07/393644807.db2.gz HYDZBFPSALQWFW-AWEZNQCLSA-N 1 1 261.369 2.530 40 0 CFABMO [NH3+][C@H]1C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000072227241 393647959 /nfs/dbraw/zinc/64/79/59/393647959.db2.gz PFHHMWVHICKURW-KGLIPLIRSA-N 1 1 290.725 2.894 40 0 CFABMO CCc1ccc(N2C(=O)[C@H]([NH3+])[C@@H]2c2ccccc2)cc1 ZINC000072228001 393649224 /nfs/dbraw/zinc/64/92/24/393649224.db2.gz IVAZKTYIERTUMT-CVEARBPZSA-N 1 1 266.344 2.664 40 0 CFABMO Cc1ccc(N2C(=O)[C@H]([NH3+])[C@@H]2c2ccccc2F)cc1 ZINC000072227481 393649250 /nfs/dbraw/zinc/64/92/50/393649250.db2.gz BTLJADVAJWCYCX-CABCVRRESA-N 1 1 270.307 2.549 40 0 CFABMO CC(=O)N1CC[N@H+](C2CCCC2)C[C@@H]1c1ccccc1 ZINC000257343394 393945006 /nfs/dbraw/zinc/94/50/06/393945006.db2.gz ZSVNBXYQWJAUNZ-QGZVFWFLSA-N 1 1 272.392 2.834 40 0 CFABMO CCOCC[C@H]1Cn2cccc2C[N@H+](C2CCC2)C1 ZINC000585095597 395100482 /nfs/dbraw/zinc/10/04/82/395100482.db2.gz ZPILDNFUOMWSLP-AWEZNQCLSA-N 1 1 262.397 2.899 40 0 CFABMO C[C@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000006455766 170202500 /nfs/dbraw/zinc/20/25/00/170202500.db2.gz PZHMKCPFKTYWHY-STQMWFEESA-N 1 1 283.799 2.812 40 0 CFABMO COc1ccc2[nH]c([C@H]3CC[N@H+](C4CCC4)C3)nc2c1 ZINC000035446745 172203166 /nfs/dbraw/zinc/20/31/66/172203166.db2.gz UAEBASDJOLJWLI-NSHDSACASA-N 1 1 271.364 2.913 40 0 biogenic,in-vitro CFABMO COc1ccc2nc([C@H]3CC[N@@H+](C4CCC4)C3)[nH]c2c1 ZINC000035446745 172203169 /nfs/dbraw/zinc/20/31/69/172203169.db2.gz UAEBASDJOLJWLI-NSHDSACASA-N 1 1 271.364 2.913 40 0 biogenic,in-vitro CFABMO COc1ccc2nc([C@H]3CC[N@H+](C4CCC4)C3)[nH]c2c1 ZINC000035446745 172203172 /nfs/dbraw/zinc/20/31/72/172203172.db2.gz UAEBASDJOLJWLI-NSHDSACASA-N 1 1 271.364 2.913 40 0 biogenic,in-vitro CFABMO COc1ccc2[nH]c([C@H]3CC[N@H+](C(C)C)C3)nc2c1 ZINC000035446803 172203380 /nfs/dbraw/zinc/20/33/80/172203380.db2.gz OHJODEJZDPCWLM-NSHDSACASA-N 1 1 259.353 2.769 40 0 biogenic,in-vitro CFABMO COc1ccc2nc([C@H]3CC[N@@H+](C(C)C)C3)[nH]c2c1 ZINC000035446803 172203382 /nfs/dbraw/zinc/20/33/82/172203382.db2.gz OHJODEJZDPCWLM-NSHDSACASA-N 1 1 259.353 2.769 40 0 biogenic,in-vitro CFABMO COc1ccc2nc([C@H]3CC[N@H+](C(C)C)C3)[nH]c2c1 ZINC000035446803 172203384 /nfs/dbraw/zinc/20/33/84/172203384.db2.gz OHJODEJZDPCWLM-NSHDSACASA-N 1 1 259.353 2.769 40 0 biogenic,in-vitro CFABMO OCC1CC[NH+](Cc2cc(Br)cs2)CC1 ZINC000043686913 175094380 /nfs/dbraw/zinc/09/43/80/175094380.db2.gz GPYHZUDTXDBNFE-UHFFFAOYSA-N 1 1 290.226 2.715 40 0 CFABMO [NH3+][C@@H]1C(=O)N(Cc2ccccc2)[C@@H]1c1cccc(Cl)c1 ZINC000072228154 176343410 /nfs/dbraw/zinc/34/34/10/176343410.db2.gz XCZDLPRTUNILRX-LSDHHAIUSA-N 1 1 286.762 2.751 40 0 CFABMO Cc1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)s1 ZINC000072324478 176369808 /nfs/dbraw/zinc/36/98/08/176369808.db2.gz PBPRGBZWHZTRBD-WCQYABFASA-N 1 1 250.411 2.725 40 0 CFABMO Cc1nccc([C@H]2CCC[N@@H+](Cc3ccncc3)C2)n1 ZINC000072351181 176374203 /nfs/dbraw/zinc/37/42/03/176374203.db2.gz IBKOFXINEPOVQX-HNNXBMFYSA-N 1 1 268.364 2.560 40 0 CFABMO Cc1ccc(-c2ccc(C[C@@H]3[NH2+]CCN(C)C3=O)cc2)cc1 ZINC000072352890 176374535 /nfs/dbraw/zinc/37/45/35/176374535.db2.gz CHNYSPQMXGKNGY-SFHVURJKSA-N 1 1 294.398 2.635 40 0 CFABMO CC(C)[N@H+]1CCC[C@@H](c2nccnc2-c2cncnc2)C1 ZINC000072358411 176376122 /nfs/dbraw/zinc/37/61/22/176376122.db2.gz NDXSQFFCKDNLBC-CYBMUJFWSA-N 1 1 283.379 2.521 40 0 CFABMO c1ccc(CC[N@H+]2CCC[C@H](c3cnccn3)C2)cc1 ZINC000072363740 176378444 /nfs/dbraw/zinc/37/84/44/176378444.db2.gz MKNNRIARGNGFIV-INIZCTEOSA-N 1 1 267.376 2.899 40 0 CFABMO Cc1cc(-c2ccc(CO)cc2)nc([C@H]2CCC[N@H+](C)C2)n1 ZINC000072365265 176380659 /nfs/dbraw/zinc/38/06/59/176380659.db2.gz VVPXENVZLYOGFJ-INIZCTEOSA-N 1 1 297.402 2.754 40 0 CFABMO C[N@H+]1CCCC[C@@H]1c1ccc(Nc2cnccn2)nc1 ZINC000072372053 176384140 /nfs/dbraw/zinc/38/41/40/176384140.db2.gz JDDGSYJRHQQLGU-CYBMUJFWSA-N 1 1 269.352 2.772 40 0 CFABMO Cc1cncc([C@H]2CCC[N@H+](Cc3nccs3)C2)n1 ZINC000072369409 176384321 /nfs/dbraw/zinc/38/43/21/176384321.db2.gz JXVVXQPBDCKJKI-LBPRGKRZSA-N 1 1 274.393 2.621 40 0 CFABMO Cc1cncc([C@H]2CCC[N@@H+](Cc3nccs3)C2)n1 ZINC000072369409 176384322 /nfs/dbraw/zinc/38/43/22/176384322.db2.gz JXVVXQPBDCKJKI-LBPRGKRZSA-N 1 1 274.393 2.621 40 0 CFABMO Cc1cnc(Nc2nccc([C@@H]3CCCC[NH2+]3)n2)s1 ZINC000072376743 176385114 /nfs/dbraw/zinc/38/51/14/176385114.db2.gz UWSYCOYLOXEYKW-JTQLQIEISA-N 1 1 275.381 2.800 40 0 CFABMO Cc1cnc(Nc2nccc([C@H]3CCCC[NH2+]3)n2)s1 ZINC000072376744 176385380 /nfs/dbraw/zinc/38/53/80/176385380.db2.gz UWSYCOYLOXEYKW-SNVBAGLBSA-N 1 1 275.381 2.800 40 0 CFABMO CCc1nccn1-c1cccc([C@@H]2CCC[N@H+]2C)n1 ZINC000072379095 176385835 /nfs/dbraw/zinc/38/58/35/176385835.db2.gz JEPHHNIZGYLMIY-ZDUSSCGKSA-N 1 1 256.353 2.596 40 0 CFABMO CC(C)[N@H+]1CCC[C@H]1c1ccnc(Nc2cnccn2)n1 ZINC000072377461 176386087 /nfs/dbraw/zinc/38/60/87/176386087.db2.gz BPMOIWHHDCBOHJ-ZDUSSCGKSA-N 1 1 284.367 2.556 40 0 CFABMO c1cncc(C[C@@H]2CCC[N@H+](C3CCOCC3)C2)c1 ZINC000072385944 176391225 /nfs/dbraw/zinc/39/12/25/176391225.db2.gz XLBHDBMHFRPABG-HNNXBMFYSA-N 1 1 260.381 2.515 40 0 CFABMO COc1ccccc1C[NH2+]Cc1cnc(NC(C)C)nc1 ZINC000062717643 262302368 /nfs/dbraw/zinc/30/23/68/262302368.db2.gz XHZKYKSDDBIXJY-UHFFFAOYSA-N 1 1 286.379 2.595 40 0 CFABMO c1nc(C[N@@H+]2CC[C@@]3(C[C@H](c4ccccc4)CO3)C2)c[nH]1 ZINC000096072143 275075474 /nfs/dbraw/zinc/07/54/74/275075474.db2.gz QPFYVCWUWTUOQR-DOTOQJQBSA-N 1 1 283.375 2.558 40 0 CFABMO c1nc(C[N@H+]2CC[C@@]3(C[C@H](c4ccccc4)CO3)C2)c[nH]1 ZINC000096072143 275075475 /nfs/dbraw/zinc/07/54/75/275075475.db2.gz QPFYVCWUWTUOQR-DOTOQJQBSA-N 1 1 283.375 2.558 40 0 CFABMO c1ncc(C[N@@H+]2CC[C@@]3(C[C@H](c4ccccc4)CO3)C2)[nH]1 ZINC000096072143 275075476 /nfs/dbraw/zinc/07/54/76/275075476.db2.gz QPFYVCWUWTUOQR-DOTOQJQBSA-N 1 1 283.375 2.558 40 0 CFABMO c1ncc(C[N@H+]2CC[C@@]3(C[C@H](c4ccccc4)CO3)C2)[nH]1 ZINC000096072143 275075477 /nfs/dbraw/zinc/07/54/77/275075477.db2.gz QPFYVCWUWTUOQR-DOTOQJQBSA-N 1 1 283.375 2.558 40 0 CFABMO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000038999798 277204346 /nfs/dbraw/zinc/20/43/46/277204346.db2.gz VFOIOFJINUUTMG-NSHDSACASA-N 1 1 254.374 2.528 40 0 CFABMO Cc1cc(C)c(NC(=O)[C@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000082323754 280393911 /nfs/dbraw/zinc/39/39/11/280393911.db2.gz VBMHSYCQKHSXEZ-AWEZNQCLSA-N 1 1 260.381 2.892 40 0 CFABMO Cc1cc(NCC[NH3+])c2cc(Br)ccc2n1 ZINC000222687609 230398398 /nfs/dbraw/zinc/39/83/98/230398398.db2.gz YJARVUKNDKIHRM-UHFFFAOYSA-N 1 1 280.169 2.676 40 0 CFABMO COc1ccc([C@H]([NH3+])c2nnc(-c3ccc(F)cc3)[nH]2)cc1 ZINC000095533640 185005988 /nfs/dbraw/zinc/00/59/88/185005988.db2.gz RZBAHBOEMJGCNS-AWEZNQCLSA-N 1 1 298.321 2.668 40 0 CFABMO Cc1occc1-c1n[nH]c([C@@H]([NH3+])c2ccc(F)cc2)n1 ZINC000095533271 185006557 /nfs/dbraw/zinc/00/65/57/185006557.db2.gz CAYPWKGHJHFEGU-LBPRGKRZSA-N 1 1 272.283 2.560 40 0 CFABMO COc1ccc([C@H]([NH3+])c2nnc(-c3cccc(F)c3)[nH]2)cc1 ZINC000095533746 185006694 /nfs/dbraw/zinc/00/66/94/185006694.db2.gz OHABHNMPXUHRBQ-AWEZNQCLSA-N 1 1 298.321 2.668 40 0 CFABMO [NH3+][C@H](c1nc(-c2ccccn2)n[nH]1)c1ccc(Cl)cc1 ZINC000095533965 185006804 /nfs/dbraw/zinc/00/68/04/185006804.db2.gz RPECCZFZEJZWCI-LBPRGKRZSA-N 1 1 285.738 2.568 40 0 CFABMO [NH3+][C@@H](c1nc(-c2ccccc2F)n[nH]1)c1ccccc1 ZINC000095533441 185006983 /nfs/dbraw/zinc/00/69/83/185006983.db2.gz VRSNLKDIOXNJCB-CYBMUJFWSA-N 1 1 268.295 2.659 40 0 CFABMO CCOc1ccc(-c2n[nH]c([C@@H]([NH3+])C(C)C)n2)cc1OC ZINC000095534813 185008401 /nfs/dbraw/zinc/00/84/01/185008401.db2.gz LIBRBZMGLQFMCP-ZDUSSCGKSA-N 1 1 290.367 2.535 40 0 CFABMO C[C@H](O)C[NH2+][C@@H](C(=O)c1ccccc1)c1ccccc1 ZINC000095934839 185033220 /nfs/dbraw/zinc/03/32/20/185033220.db2.gz NXCFIZSEZMALQB-XJKSGUPXSA-N 1 1 269.344 2.581 40 0 CFABMO CCn1ncc2c1C[N@H+](Cc1cccs1)C[C@H]2COC ZINC000096044560 185072034 /nfs/dbraw/zinc/07/20/34/185072034.db2.gz WVLDYLQGFLJGGC-LBPRGKRZSA-N 1 1 291.420 2.710 40 0 CFABMO CCn1ncc2c1C[N@@H+](Cc1cccs1)C[C@H]2COC ZINC000096044560 185072036 /nfs/dbraw/zinc/07/20/36/185072036.db2.gz WVLDYLQGFLJGGC-LBPRGKRZSA-N 1 1 291.420 2.710 40 0 CFABMO CC[C@@H]1[N@@H+](Cc2ccco2)CCC[C@]12CCC(=O)N2C ZINC000096052410 185074001 /nfs/dbraw/zinc/07/40/01/185074001.db2.gz RLYZBHIIMHWLCC-HOCLYGCPSA-N 1 1 276.380 2.645 40 0 CFABMO Cc1ccc(C[N@H+]2CCC[C@]3(CCCC(=O)N3)C2)s1 ZINC000096049941 185074673 /nfs/dbraw/zinc/07/46/73/185074673.db2.gz DSXCFCMLQAHBJF-OAHLLOKOSA-N 1 1 278.421 2.691 40 0 CFABMO COc1ccc(CN2CC[C@H]3[C@H]2CC[N@H+]3CC(C)C)cc1 ZINC000096055778 185075442 /nfs/dbraw/zinc/07/54/42/185075442.db2.gz ILWQMVJYGGBARE-ZWKOTPCHSA-N 1 1 288.435 3.000 40 0 CFABMO Cc1ccc(CN2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)o1 ZINC000096053792 185075975 /nfs/dbraw/zinc/07/59/75/185075975.db2.gz FODQKOBDPUAGEG-HZPDHXFCSA-N 1 1 297.402 2.547 40 0 CFABMO Cc1ccc(CN2CC[C@H]3[C@H]2CC[N@@H+]3CC(C)C)o1 ZINC000096055774 185076311 /nfs/dbraw/zinc/07/63/11/185076311.db2.gz UJFCPMHKJBXVTC-JKSUJKDBSA-N 1 1 262.397 2.893 40 0 CFABMO CC(C)CN1CC2(C1)CC[N@@H+](Cc1ccccc1)C2 ZINC000096070794 185086984 /nfs/dbraw/zinc/08/69/84/185086984.db2.gz MHOOWKDPFUFCPF-UHFFFAOYSA-N 1 1 258.409 2.850 40 0 CFABMO CC(C)C[NH+]1CC2(C1)CCN(Cc1ccccc1)C2 ZINC000096070794 185086985 /nfs/dbraw/zinc/08/69/85/185086985.db2.gz MHOOWKDPFUFCPF-UHFFFAOYSA-N 1 1 258.409 2.850 40 0 CFABMO CC(C)[N@@H+]1CCn2c(COc3cccnc3)cnc2[C@@H]1C ZINC000096109837 185099561 /nfs/dbraw/zinc/09/95/61/185099561.db2.gz DXSRKBHMCNLWBI-ZDUSSCGKSA-N 1 1 286.379 2.642 40 0 CFABMO CC(C)[N@H+]1CCn2c(COc3cccnc3)cnc2[C@@H]1C ZINC000096109837 185099562 /nfs/dbraw/zinc/09/95/62/185099562.db2.gz DXSRKBHMCNLWBI-ZDUSSCGKSA-N 1 1 286.379 2.642 40 0 CFABMO O=C1C[C@@H]2[C@H](CC[N@H+]2Cc2cccs2)N1c1cccnc1 ZINC000096110716 185100620 /nfs/dbraw/zinc/10/06/20/185100620.db2.gz WWVOHISVKDPBNM-LSDHHAIUSA-N 1 1 299.399 2.523 40 0 CFABMO O[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000127982610 187345121 /nfs/dbraw/zinc/34/51/21/187345121.db2.gz XMQLRIMVAWYYJM-GFCCVEGCSA-N 1 1 260.164 2.950 40 0 CFABMO O[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000127982610 187345122 /nfs/dbraw/zinc/34/51/22/187345122.db2.gz XMQLRIMVAWYYJM-GFCCVEGCSA-N 1 1 260.164 2.950 40 0 CFABMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccncc1 ZINC000005705280 346212385 /nfs/dbraw/zinc/21/23/85/346212385.db2.gz KFIZLPOAJRUESW-LSDHHAIUSA-N 1 1 274.364 2.503 40 0 CFABMO CC(C)(C)OC(=O)N([C@H](C(=[NH2+])NO)c1ccco1)C1CC1 ZINC000409442513 348603003 /nfs/dbraw/zinc/60/30/03/348603003.db2.gz WEKWPEAIIXIWHX-NSHDSACASA-N 1 1 295.339 2.676 40 0 CFABMO C[N@@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)C(C)(C)C)[C@H]2C1 ZINC000585109331 348734280 /nfs/dbraw/zinc/73/42/80/348734280.db2.gz JQWFYRISVXHERZ-SOUVJXGZSA-N 1 1 272.392 2.549 40 0 CFABMO CCC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](CC)[C@H]2C1 ZINC000107805956 186193104 /nfs/dbraw/zinc/19/31/04/186193104.db2.gz RIUVUINPIUCPPW-FUHWJXTLSA-N 1 1 286.419 2.661 40 0 CFABMO Cc1cc(F)ccc1C[N@H+]1CCC[C@@]2(CCNC2=O)CC1 ZINC000108525135 186221015 /nfs/dbraw/zinc/22/10/15/186221015.db2.gz LVYFCSKPIVTKSR-QGZVFWFLSA-N 1 1 290.382 2.626 40 0 CFABMO O=C1NCC[C@]12CCC[N@H+](Cc1ccc(Cl)cc1)CC2 ZINC000108535254 186221892 /nfs/dbraw/zinc/22/18/92/186221892.db2.gz STDMBEIVWXSYQL-INIZCTEOSA-N 1 1 292.810 2.832 40 0 CFABMO O=C(C[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000003068302 371770019 /nfs/dbraw/zinc/77/00/19/371770019.db2.gz VOGIPWKINCQFQJ-UHFFFAOYSA-N 1 1 268.154 2.728 40 0 CFABMO NC(=[NH2+])SCc1cc(Cl)cc(Cl)c1O ZINC000003953894 371825828 /nfs/dbraw/zinc/82/58/28/371825828.db2.gz FGOAJBDSBNKXNW-UHFFFAOYSA-N 1 1 251.138 2.826 40 0 in-vitro CFABMO C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(N)cc2Cl)C1 ZINC000004212825 371842290 /nfs/dbraw/zinc/84/22/90/371842290.db2.gz YMBWSFWVMBXXCI-JTQLQIEISA-N 1 1 281.787 2.593 40 0 CFABMO C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(N)cc2Cl)C1 ZINC000004212825 371842296 /nfs/dbraw/zinc/84/22/96/371842296.db2.gz YMBWSFWVMBXXCI-JTQLQIEISA-N 1 1 281.787 2.593 40 0 CFABMO C[C@@H]1CCC[C@H]1OC[C@H](O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000010434807 371908157 /nfs/dbraw/zinc/90/81/57/371908157.db2.gz YNHPVKYUSWWEAF-YIDVYQOGSA-N 1 1 269.429 2.530 40 0 CFABMO Nc1ccccc1C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000019399038 372159492 /nfs/dbraw/zinc/15/94/92/372159492.db2.gz HUHUJUYJPUPUFO-UHFFFAOYSA-N 1 1 281.403 2.587 40 0 CFABMO CCOc1ncccc1-c1noc(C[NH+]2CCCCC2)n1 ZINC000019531589 372173336 /nfs/dbraw/zinc/17/33/36/372173336.db2.gz YZXYQCAXRQAKBC-UHFFFAOYSA-N 1 1 288.351 2.516 40 0 CFABMO COc1ccccc1/C=C/CN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000019575034 372176041 /nfs/dbraw/zinc/17/60/41/372176041.db2.gz GSCZTLGLYFMIST-XNHCWWPPSA-N 1 1 286.419 2.877 40 0 CFABMO c1ccc2c(c1)CC[NH2+][C@H]2[C@H]1NCCc2ccccc21 ZINC000023477233 372260733 /nfs/dbraw/zinc/26/07/33/372260733.db2.gz NDHNLLQPMVDMRO-HDICACEKSA-N 1 1 264.372 2.760 40 0 CFABMO COCC[NH2+][C@@H](C(=O)c1ccccc1)c1ccccc1 ZINC000031924029 372421771 /nfs/dbraw/zinc/42/17/71/372421771.db2.gz MNYPYUHVSJPCOX-MRXNPFEDSA-N 1 1 269.344 2.847 40 0 CFABMO CCC(C)(C)OC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000028295252 372364502 /nfs/dbraw/zinc/36/45/02/372364502.db2.gz NOKMVAIAFJMYST-MRXNPFEDSA-N 1 1 277.408 2.611 40 0 CFABMO CCOc1ccccc1[C@@H](CN)[N@@H+]1CCC[C@H](C)C1 ZINC000036092740 372556510 /nfs/dbraw/zinc/55/65/10/372556510.db2.gz BIRDXGURJZQORM-DZGCQCFKSA-N 1 1 262.397 2.817 40 0 CFABMO CCOc1ccccc1[C@@H](CN)[N@H+]1CCC[C@H](C)C1 ZINC000036092740 372556517 /nfs/dbraw/zinc/55/65/17/372556517.db2.gz BIRDXGURJZQORM-DZGCQCFKSA-N 1 1 262.397 2.817 40 0 CFABMO Cc1cc[nH+]c(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000043220430 372982978 /nfs/dbraw/zinc/98/29/78/372982978.db2.gz RAOBPVQOGQTTII-ZDUSSCGKSA-N 1 1 291.395 2.884 40 0 CFABMO OCC[N@H+](Cc1ccc(Cl)cc1Cl)C1CC1 ZINC000048065476 373143593 /nfs/dbraw/zinc/14/35/93/373143593.db2.gz ANTBNDXEOIZCID-UHFFFAOYSA-N 1 1 260.164 2.950 40 0 CFABMO OCC[N@@H+](Cc1ccc(Cl)cc1Cl)C1CC1 ZINC000048065476 373143598 /nfs/dbraw/zinc/14/35/98/373143598.db2.gz ANTBNDXEOIZCID-UHFFFAOYSA-N 1 1 260.164 2.950 40 0 CFABMO c1ccc(-c2nnc([C@H]3CC[N@H+](C4CCOCC4)C3)o2)cc1 ZINC000049169362 373273149 /nfs/dbraw/zinc/27/31/49/373273149.db2.gz BJGULRSKORFTAA-AWEZNQCLSA-N 1 1 299.374 2.705 40 0 biogenic,in-vitro CFABMO CC(C)(C)c1nnc([C@H]2CC[N@@H+](Cc3ccncc3)C2)o1 ZINC000049170660 373275561 /nfs/dbraw/zinc/27/55/61/373275561.db2.gz DKRKHEWOWZXQKY-ZDUSSCGKSA-N 1 1 286.379 2.752 40 0 biogenic,in-vitro CFABMO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000082325285 374735831 /nfs/dbraw/zinc/73/58/31/374735831.db2.gz YSSVMAFHWYJQSN-SNVBAGLBSA-N 1 1 282.771 2.629 40 0 CFABMO O=C1N(CC2CC2)c2ccccc2[C@]12CC[N@@H+](CC1CC1)C2 ZINC000096100339 375468190 /nfs/dbraw/zinc/46/81/90/375468190.db2.gz CLOHBQFLAQSWHV-LJQANCHMSA-N 1 1 296.414 2.797 40 0 CFABMO CC[N@H+]1CC[C@]12CCN(C(=O)c1cnc3ccccc3c1)C2 ZINC000096075912 375468250 /nfs/dbraw/zinc/46/82/50/375468250.db2.gz FCHXYHNPZGSQQL-SFHVURJKSA-N 1 1 295.386 2.545 40 0 CFABMO NC[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCCC1 ZINC000095098743 375416300 /nfs/dbraw/zinc/41/63/00/375416300.db2.gz JTYBDNYRPPLXEW-LBPRGKRZSA-N 1 1 274.286 2.681 40 0 CFABMO Cc1cccc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2ccccn2)n1 ZINC000096184720 375474775 /nfs/dbraw/zinc/47/47/75/375474775.db2.gz 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ZINC000257254249 190020776 /nfs/dbraw/zinc/02/07/76/190020776.db2.gz KCIBXFXBRYFYBJ-HNNXBMFYSA-N 1 1 282.391 2.786 40 0 CFABMO Cc1c[nH]nc1[C@@H]1CC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000257248993 190020276 /nfs/dbraw/zinc/02/02/76/190020276.db2.gz JGFDVILQQOYRBQ-CYBMUJFWSA-N 1 1 289.354 2.726 40 0 CFABMO CNc1cc([C@H]2CCC[N@H+](Cc3nccs3)C2)ccn1 ZINC000257261284 190022551 /nfs/dbraw/zinc/02/25/51/190022551.db2.gz LGOCPIBHSRQENX-ZDUSSCGKSA-N 1 1 288.420 2.959 40 0 CFABMO CNc1cc([C@H]2CCC[N@@H+](Cc3nccs3)C2)ccn1 ZINC000257261284 190022552 /nfs/dbraw/zinc/02/25/52/190022552.db2.gz LGOCPIBHSRQENX-ZDUSSCGKSA-N 1 1 288.420 2.959 40 0 CFABMO c1ncc(C[N@@H+]2CCC[C@H](Cc3ccccn3)C2)s1 ZINC000257306991 190031419 /nfs/dbraw/zinc/03/14/19/190031419.db2.gz SWUVDBVJVRDCBA-CYBMUJFWSA-N 1 1 273.405 2.993 40 0 CFABMO Cc1cnc([C@@H]2CCC[N@H+](Cc3ncc[nH]3)C2)s1 ZINC000257307548 190031574 /nfs/dbraw/zinc/03/15/74/190031574.db2.gz SZEMGUVNPWYNBO-LLVKDONJSA-N 1 1 262.382 2.554 40 0 CFABMO Cc1cnc([C@@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)s1 ZINC000257307548 190031575 /nfs/dbraw/zinc/03/15/75/190031575.db2.gz SZEMGUVNPWYNBO-LLVKDONJSA-N 1 1 262.382 2.554 40 0 CFABMO CC(C)n1nccc1C[N@H+]1CCC[C@@H](c2cnccn2)C1 ZINC000257293263 190028258 /nfs/dbraw/zinc/02/82/58/190028258.db2.gz QOTGAVSTUFHBLN-CQSZACIVSA-N 1 1 285.395 2.634 40 0 CFABMO Cc1ncc(-c2nccnc2[C@@H]2CCC[N@H+](C(C)C)C2)n1C ZINC000257298572 190029430 /nfs/dbraw/zinc/02/94/30/190029430.db2.gz RMIBPNNTSWYKLT-CQSZACIVSA-N 1 1 299.422 2.773 40 0 CFABMO CCn1cc(C[N@H+]2CCC[C@H](c3ccnc(NC)c3)C2)cn1 ZINC000257298091 190029700 /nfs/dbraw/zinc/02/97/00/190029700.db2.gz RKCHYZGFQJOMPX-INIZCTEOSA-N 1 1 299.422 2.719 40 0 CFABMO C[N@H+]1CC[C@@H](Cc2cccc(-c3nccs3)n2)C1 ZINC000257312540 190031985 /nfs/dbraw/zinc/03/19/85/190031985.db2.gz UOLAQFIRKVZIDE-NSHDSACASA-N 1 1 259.378 2.699 40 0 CFABMO Cc1cc(C)nc([C@@H]2CC[N@@H+](CC3(O)CCCCC3)C2)n1 ZINC000257316630 190033014 /nfs/dbraw/zinc/03/30/14/190033014.db2.gz VGJSZIXGPASHIU-OAHLLOKOSA-N 1 1 289.423 2.578 40 0 CFABMO Cc1ccnc([C@@H]2CC[N@@H+](CCc3ccccc3)C2)n1 ZINC000257316343 190033049 /nfs/dbraw/zinc/03/30/49/190033049.db2.gz VFDYRHKPDYQOEQ-MRXNPFEDSA-N 1 1 267.376 2.817 40 0 CFABMO Cc1cc(-c2cncc([C@H]3CCC[N@H+](C(C)C)C3)n2)n[nH]1 ZINC000257335656 190036380 /nfs/dbraw/zinc/03/63/80/190036380.db2.gz YLGBBTMOEYORFG-ZDUSSCGKSA-N 1 1 285.395 2.763 40 0 CFABMO Cc1c[nH]c([C@H]2CCC[N@@H+](Cc3nccn3C(C)C)C2)n1 ZINC000257344738 190037584 /nfs/dbraw/zinc/03/75/84/190037584.db2.gz ZYMKXYNKSOMJEK-AWEZNQCLSA-N 1 1 287.411 2.875 40 0 CFABMO Cc1c[nH]c([C@H]2CCC[N@H+](Cc3nccn3C(C)C)C2)n1 ZINC000257344738 190037585 /nfs/dbraw/zinc/03/75/85/190037585.db2.gz ZYMKXYNKSOMJEK-AWEZNQCLSA-N 1 1 287.411 2.875 40 0 CFABMO COCC[C@H]1CO[C@H]2C[N@@H+](Cc3ccccc3Cl)C[C@@H]12 ZINC000306126922 382453224 /nfs/dbraw/zinc/45/32/24/382453224.db2.gz FJEYBPVZVAKOJA-DZKIICNBSA-N 1 1 295.810 2.823 40 0 CFABMO COc1ccc([C@H](C)[N@@H+]2CCN[C@H]3CCCC[C@@H]32)cc1 ZINC000242547822 382986547 /nfs/dbraw/zinc/98/65/47/382986547.db2.gz KUSCMGFHXLDZSL-JQFCIGGWSA-N 1 1 274.408 2.973 40 0 CFABMO COc1ccc([C@H](C)[N@H+]2CCN[C@H]3CCCC[C@@H]32)cc1 ZINC000242547822 382986549 /nfs/dbraw/zinc/98/65/49/382986549.db2.gz KUSCMGFHXLDZSL-JQFCIGGWSA-N 1 1 274.408 2.973 40 0 CFABMO COCC[C@@H]1CCOC12C[NH+](Cc1sccc1C)C2 ZINC000253599762 383464189 /nfs/dbraw/zinc/46/41/89/383464189.db2.gz UDICAALKAGSUKE-CYBMUJFWSA-N 1 1 281.421 2.684 40 0 CFABMO CNc1nc([C@H]2CC[N@H+](C(C)C)C2)cn2cccc12 ZINC000257327451 383494351 /nfs/dbraw/zinc/49/43/51/383494351.db2.gz XBKKPDPNYZYADB-LBPRGKRZSA-N 1 1 258.369 2.574 40 0 CFABMO CC(C)C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1CC1)C2 ZINC000004886564 393459721 /nfs/dbraw/zinc/45/97/21/393459721.db2.gz LOYQZZHIVVDLCI-GOOCMWNKSA-N 1 1 264.413 2.554 40 0 CFABMO CCCC[N@H+]1CCC[C@@H]1c1cccnc1N1CCOCC1 ZINC000072216227 393644931 /nfs/dbraw/zinc/64/49/31/393644931.db2.gz GGZJFEUWMFNSKO-MRXNPFEDSA-N 1 1 289.423 2.855 40 0 CFABMO CCC[N@H+]1CCC[C@H]1c1ccc(N2CCOCC2)nc1C ZINC000072219627 393646328 /nfs/dbraw/zinc/64/63/28/393646328.db2.gz FCYYZFVZEDTKBT-INIZCTEOSA-N 1 1 289.423 2.774 40 0 CFABMO Cc1cc(NC2CC2)[nH+]cc1CNC(=O)OC(C)(C)C ZINC000072223807 393647057 /nfs/dbraw/zinc/64/70/57/393647057.db2.gz LMFBFSZKBVZXHN-UHFFFAOYSA-N 1 1 277.368 2.989 40 0 CFABMO CCc1ccc([C@H]2[C@@H]([NH3+])C(=O)N2c2ccc(F)cc2)cc1 ZINC000072227249 393647578 /nfs/dbraw/zinc/64/75/78/393647578.db2.gz CUKFXJJYRFFLTG-CVEARBPZSA-N 1 1 284.334 2.803 40 0 CFABMO [NH3+][C@@H]1C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000072227642 393648792 /nfs/dbraw/zinc/64/87/92/393648792.db2.gz MRFSIQKXUOCXNM-UONOGXRCSA-N 1 1 290.725 2.894 40 0 CFABMO [NH3+][C@H]1C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccc1F ZINC000072227984 393648919 /nfs/dbraw/zinc/64/89/19/393648919.db2.gz XBPBJCHOWUXGAO-ZIAGYGMSSA-N 1 1 290.725 2.894 40 0 CFABMO Cc1ccc([C@H]2[C@H]([NH3+])C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000072228191 393649822 /nfs/dbraw/zinc/64/98/22/393649822.db2.gz KHWAWXITJWCLBB-HOTGVXAUSA-N 1 1 284.334 2.545 40 0 CFABMO O=C1Oc2ccccc2[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000080274214 393725312 /nfs/dbraw/zinc/72/53/12/393725312.db2.gz BSSJUCACDKXHPW-JKSUJKDBSA-N 1 1 279.339 2.821 40 0 CFABMO O=C1OC[C@@H]2CC[N@@H+](CC3CC3)Cc3ccccc3N12 ZINC000225482257 393769058 /nfs/dbraw/zinc/76/90/58/393769058.db2.gz OLTCJZPAHRXNGH-AWEZNQCLSA-N 1 1 272.348 2.628 40 0 biogenic,in-vitro CFABMO CC[C@@H]1[N@@H+](Cc2ccc(F)cc2)CCC[C@]12CCC(=O)N2 ZINC000096052396 393814908 /nfs/dbraw/zinc/81/49/08/393814908.db2.gz XHVCIJQZOOOMMH-RDJZCZTQSA-N 1 1 290.382 2.849 40 0 CFABMO CNc1ccc(-c2noc([C@@H]3CCC[N@H+]3C3CCC3)n2)cn1 ZINC000035426207 172193909 /nfs/dbraw/zinc/19/39/09/172193909.db2.gz FKBJCNBFCIPZIN-ZDUSSCGKSA-N 1 1 299.378 2.863 40 0 biogenic,in-vitro CFABMO Cc1ccc2oc([C@H]3CC[N@H+](Cc4ncc[nH]4)C3)nc2c1 ZINC000035446522 172202807 /nfs/dbraw/zinc/20/28/07/172202807.db2.gz XZSHUTFKHGXGSO-LBPRGKRZSA-N 1 1 282.347 2.849 40 0 biogenic,in-vitro CFABMO Cc1ccc2oc([C@H]3CC[N@@H+](Cc4ncc[nH]4)C3)nc2c1 ZINC000035446522 172202808 /nfs/dbraw/zinc/20/28/08/172202808.db2.gz XZSHUTFKHGXGSO-LBPRGKRZSA-N 1 1 282.347 2.849 40 0 biogenic,in-vitro CFABMO CC[C@@H](C)NC(=O)c1ccc(Cn2cc[nH+]c2C)cc1 ZINC000038832299 174157068 /nfs/dbraw/zinc/15/70/68/174157068.db2.gz ULJFSZACAVHQOE-GFCCVEGCSA-N 1 1 271.364 2.768 40 0 CFABMO CC(C)(C)OC(=O)[C@@H]([NH3+])Cc1cccc(C(F)(F)F)c1 ZINC000071241862 176094432 /nfs/dbraw/zinc/09/44/32/176094432.db2.gz JRQXQWKHJMNYRS-NSHDSACASA-N 1 1 289.297 2.917 40 0 CFABMO CCc1nccn1-c1cncc([C@@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000072355530 176374635 /nfs/dbraw/zinc/37/46/35/176374635.db2.gz YBNNBJFEKAMTQC-CQSZACIVSA-N 1 1 299.422 2.813 40 0 CFABMO COc1ccccc1-c1cncc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000072359273 176376956 /nfs/dbraw/zinc/37/69/56/176376956.db2.gz HFSDQNBLZIXDMW-CYBMUJFWSA-N 1 1 283.375 2.961 40 0 CFABMO Cc1ccc([C@@H]2CCC[N@H+](Cc3cnn(C)c3)C2)nc1 ZINC000072364262 176378960 /nfs/dbraw/zinc/37/89/60/176378960.db2.gz PESKQNCYWFWMCT-OAHLLOKOSA-N 1 1 270.380 2.503 40 0 CFABMO COCC[N@@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000072380818 176387068 /nfs/dbraw/zinc/38/70/68/176387068.db2.gz IZFGTDMZKNNKPS-AWEZNQCLSA-N 1 1 259.353 2.736 40 0 CFABMO COCC[N@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000072380818 176387069 /nfs/dbraw/zinc/38/70/69/176387069.db2.gz IZFGTDMZKNNKPS-AWEZNQCLSA-N 1 1 259.353 2.736 40 0 CFABMO Cc1nccc([C@H]2CCCC[N@@H+]2Cc2ccccn2)n1 ZINC000072379990 176387175 /nfs/dbraw/zinc/38/71/75/176387175.db2.gz LMIPNPSVTUXCOG-MRXNPFEDSA-N 1 1 268.364 2.907 40 0 CFABMO Cc1nccc([C@H]2CCCC[N@H+]2Cc2ccccn2)n1 ZINC000072379990 176387177 /nfs/dbraw/zinc/38/71/77/176387177.db2.gz LMIPNPSVTUXCOG-MRXNPFEDSA-N 1 1 268.364 2.907 40 0 CFABMO Cc1[nH+]cc(CN2CCn3cccc3[C@H]2C(C)C)n1C ZINC000072397950 176395656 /nfs/dbraw/zinc/39/56/56/176395656.db2.gz CTYXSBNPJUOHJX-MRXNPFEDSA-N 1 1 272.396 2.743 40 0 CFABMO CNc1cc([C@@H]2CCCN(c3cc(C)ncn3)C2)cc[nH+]1 ZINC000257342105 273975193 /nfs/dbraw/zinc/97/51/93/273975193.db2.gz ZNCPCYIXXNTTJS-CQSZACIVSA-N 1 1 283.379 2.606 40 0 CFABMO O=C1Nc2ccccc2[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000066354625 275026128 /nfs/dbraw/zinc/02/61/28/275026128.db2.gz QDCNAGJMBCPFPL-JKSUJKDBSA-N 1 1 278.355 2.854 40 0 CFABMO CCOC[C@@H]1Cn2nccc2C[N@H+](Cc2cccs2)C1 ZINC000096059205 276331914 /nfs/dbraw/zinc/33/19/14/276331914.db2.gz YSLYKWBXTWTUGE-ZDUSSCGKSA-N 1 1 291.420 2.613 40 0 CFABMO CCOC[C@@H]1Cn2nccc2C[N@@H+](Cc2cccs2)C1 ZINC000096059205 276331916 /nfs/dbraw/zinc/33/19/16/276331916.db2.gz YSLYKWBXTWTUGE-ZDUSSCGKSA-N 1 1 291.420 2.613 40 0 CFABMO COc1cc2ccc3c(c2cc1OC)C[N@@H+](C)CC3 ZINC000001564826 277395175 /nfs/dbraw/zinc/39/51/75/277395175.db2.gz SBQCHGVRBKGXQS-UHFFFAOYSA-N 1 1 257.333 2.845 40 0 CFABMO COc1cc2ccc3c(c2cc1OC)C[N@H+](C)CC3 ZINC000001564826 277395176 /nfs/dbraw/zinc/39/51/76/277395176.db2.gz SBQCHGVRBKGXQS-UHFFFAOYSA-N 1 1 257.333 2.845 40 0 CFABMO Cc1c[nH]c(-c2cc([C@H]3CC[N@H+](C(C)C)C3)nc(C)n2)n1 ZINC000257255748 280278737 /nfs/dbraw/zinc/27/87/37/280278737.db2.gz KIRUGUVSGTVCDX-ZDUSSCGKSA-N 1 1 285.395 2.681 40 0 CFABMO C[N@@H+]1CCO[C@](O)(c2ccccc2)[C@@H]1c1ccccc1 ZINC000031924036 290121184 /nfs/dbraw/zinc/12/11/84/290121184.db2.gz OLROBMDTAVAWLT-DLBZAZTESA-N 1 1 269.344 2.535 40 0 CFABMO C[N@H+]1CCO[C@](O)(c2ccccc2)[C@@H]1c1ccccc1 ZINC000031924036 290121190 /nfs/dbraw/zinc/12/11/90/290121190.db2.gz OLROBMDTAVAWLT-DLBZAZTESA-N 1 1 269.344 2.535 40 0 CFABMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccc(Cl)cc1)[C@H]2O ZINC000005496148 290317053 /nfs/dbraw/zinc/31/70/53/290317053.db2.gz JHYHQSHIPRRIOZ-IGQOVBAYSA-N 1 1 251.757 2.651 40 0 CFABMO Cc1c[nH]nc1[C@H]1CCCC[N@H+]1CC1CCOCC1 ZINC000257296690 301033934 /nfs/dbraw/zinc/03/39/34/301033934.db2.gz RDYNTWPXYQLBSX-CQSZACIVSA-N 1 1 263.385 2.672 40 0 CFABMO Cc1cn[nH]c1[C@H]1CCCC[N@@H+]1CC1CCOCC1 ZINC000257296690 301033936 /nfs/dbraw/zinc/03/39/36/301033936.db2.gz RDYNTWPXYQLBSX-CQSZACIVSA-N 1 1 263.385 2.672 40 0 CFABMO Cc1cn[nH]c1[C@H]1CCCC[N@H+]1CC1CCOCC1 ZINC000257296690 301033937 /nfs/dbraw/zinc/03/39/37/301033937.db2.gz RDYNTWPXYQLBSX-CQSZACIVSA-N 1 1 263.385 2.672 40 0 CFABMO COc1ccc([C@@H]([NH3+])c2nnc(-c3cccc(F)c3)[nH]2)cc1 ZINC000095533747 185007558 /nfs/dbraw/zinc/00/75/58/185007558.db2.gz OHABHNMPXUHRBQ-CQSZACIVSA-N 1 1 298.321 2.668 40 0 CFABMO CCOc1cc(-c2n[nH]c([C@@H]([NH3+])C(C)C)n2)ccc1OC ZINC000095534809 185007845 /nfs/dbraw/zinc/00/78/45/185007845.db2.gz WVZVVEIPFWMZOR-ZDUSSCGKSA-N 1 1 290.367 2.535 40 0 CFABMO CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1nccs1)C2 ZINC000096039325 185068702 /nfs/dbraw/zinc/06/87/02/185068702.db2.gz WFINKTBRGBJVHM-DZGCQCFKSA-N 1 1 296.436 2.551 40 0 CFABMO CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1nccs1)C2 ZINC000096039325 185068704 /nfs/dbraw/zinc/06/87/04/185068704.db2.gz WFINKTBRGBJVHM-DZGCQCFKSA-N 1 1 296.436 2.551 40 0 CFABMO O=C1C[C@@]2(CC[N@@H+](CC3CC3)C2)CN1c1cccc(F)c1 ZINC000096050752 185074239 /nfs/dbraw/zinc/07/42/39/185074239.db2.gz LONABQRVHGUBDU-QGZVFWFLSA-N 1 1 288.366 2.665 40 0 CFABMO Cc1ccc(CN2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)o1 ZINC000096053730 185074866 /nfs/dbraw/zinc/07/48/66/185074866.db2.gz ZIDDQGPVLYOTBE-IAGOWNOFSA-N 1 1 297.402 2.547 40 0 CFABMO CCOC[C@@H]1C[N@@H+](CC2CC2)Cc2ncn(CC3CC3)c21 ZINC000096060332 185081583 /nfs/dbraw/zinc/08/15/83/185081583.db2.gz PNZZQNZLIQPRKI-HNNXBMFYSA-N 1 1 289.423 2.639 40 0 CFABMO c1ncc2c(c1COCC1CC1)CC[N@@H+](CC1CC1)C2 ZINC000096059318 185081998 /nfs/dbraw/zinc/08/19/98/185081998.db2.gz UTHHKNZLRVCNTM-UHFFFAOYSA-N 1 1 272.392 2.776 40 0 CFABMO Cc1ccc(C[N@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)o1 ZINC000096061558 185082929 /nfs/dbraw/zinc/08/29/29/185082929.db2.gz SOPZDXWXNDJUQV-DLBZAZTESA-N 1 1 271.360 2.766 40 0 CFABMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(CC1CC1)[C@@H]2C ZINC000096061998 185083431 /nfs/dbraw/zinc/08/34/31/185083431.db2.gz UEZLQMJQLAZMKW-CYBMUJFWSA-N 1 1 276.428 2.510 40 0 CFABMO Cn1ncc2c1C[N@@H+](CC1CCC1)C[C@@H]2COCC1CC1 ZINC000096068279 185085862 /nfs/dbraw/zinc/08/58/62/185085862.db2.gz SZJYVYSOFAYKMH-OAHLLOKOSA-N 1 1 289.423 2.546 40 0 CFABMO COCC[C@@H]1CO[C@]2(CC[N@@H+](Cc3ccccc3F)C2)C1 ZINC000096072045 185086801 /nfs/dbraw/zinc/08/68/01/185086801.db2.gz VQYUXQJJJXPFMF-WMLDXEAASA-N 1 1 293.382 2.843 40 0 CFABMO c1nc(C[N@@H+]2CC[C@]3(C[C@@H](c4ccccc4)CO3)C2)c[nH]1 ZINC000096072144 185088107 /nfs/dbraw/zinc/08/81/07/185088107.db2.gz QPFYVCWUWTUOQR-WBVHZDCISA-N 1 1 283.375 2.558 40 0 CFABMO c1nc(C[N@H+]2CC[C@]3(C[C@@H](c4ccccc4)CO3)C2)c[nH]1 ZINC000096072144 185088108 /nfs/dbraw/zinc/08/81/08/185088108.db2.gz QPFYVCWUWTUOQR-WBVHZDCISA-N 1 1 283.375 2.558 40 0 CFABMO c1ncc(C[N@@H+]2CC[C@]3(C[C@@H](c4ccccc4)CO3)C2)[nH]1 ZINC000096072144 185088109 /nfs/dbraw/zinc/08/81/09/185088109.db2.gz QPFYVCWUWTUOQR-WBVHZDCISA-N 1 1 283.375 2.558 40 0 CFABMO c1ncc(C[N@H+]2CC[C@]3(C[C@@H](c4ccccc4)CO3)C2)[nH]1 ZINC000096072144 185088110 /nfs/dbraw/zinc/08/81/10/185088110.db2.gz QPFYVCWUWTUOQR-WBVHZDCISA-N 1 1 283.375 2.558 40 0 CFABMO CO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(C)s1)C2 ZINC000096107180 185099883 /nfs/dbraw/zinc/09/98/83/185099883.db2.gz MFASKFUXRSOFJH-HIFRSBDPSA-N 1 1 281.421 2.826 40 0 CFABMO CC1(C)[C@@H]2CC[C@@]1(C)[C@@]([C@@H](CN)CO)([NH+]1CCCCC1)C2 ZINC000072210471 346924053 /nfs/dbraw/zinc/92/40/53/346924053.db2.gz BCNUOSDFXNECOT-CYGHRXIMSA-N 1 1 294.483 2.625 40 0 CFABMO CC1(C)[C@H]2CC[C@]1(C)[C@@]([C@@H](CN)CO)([NH+]1CCCCC1)C2 ZINC000072210470 346924193 /nfs/dbraw/zinc/92/41/93/346924193.db2.gz BCNUOSDFXNECOT-UOVPBQLFSA-N 1 1 294.483 2.625 40 0 CFABMO CC(=O)c1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@H]1C ZINC000012438634 346231412 /nfs/dbraw/zinc/23/14/12/346231412.db2.gz SJVQHTYMNXUMKQ-UKRRQHHQSA-N 1 1 291.391 2.503 40 0 CFABMO C/C(=C\c1ccccc1)C[N@H+]1CC[C@H]2NC(=O)CCC[C@H]21 ZINC000019713248 346242347 /nfs/dbraw/zinc/24/23/47/346242347.db2.gz ZXAJAUGLKPNKCP-SIMUAJLNSA-N 1 1 284.403 2.833 40 0 CFABMO Cc1csc([C@@H]2CCC[N@H+](C3CCOCC3)C2)n1 ZINC000127583936 187318287 /nfs/dbraw/zinc/31/82/87/187318287.db2.gz GPENOXYBGBLDSE-GFCCVEGCSA-N 1 1 266.410 2.810 40 0 CFABMO CCC[C@@H](C(=O)c1ccc(O)c(OC)c1)[NH+]1CCCC1 ZINC000096032834 347700696 /nfs/dbraw/zinc/70/06/96/347700696.db2.gz LGTMQHOZRKNUTB-ZDUSSCGKSA-N 1 1 277.364 2.848 40 0 in-vitro CFABMO CCOC[C@H]1CC[N@@H+](C)C2(CN(Cc3ccsc3)C2)C1 ZINC000585103011 348734470 /nfs/dbraw/zinc/73/44/70/348734470.db2.gz OBFZRFDAPGMJRP-AWEZNQCLSA-N 1 1 294.464 2.681 40 0 CFABMO c1ccn(C[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2ccoc2)c1 ZINC000107257240 186164405 /nfs/dbraw/zinc/16/44/05/186164405.db2.gz XPIAAHJTTOHITQ-ULQDDVLXSA-N 1 1 286.375 2.761 40 0 CFABMO c1ccn(C[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3Cc2ccoc2)c1 ZINC000107257240 186164407 /nfs/dbraw/zinc/16/44/07/186164407.db2.gz XPIAAHJTTOHITQ-ULQDDVLXSA-N 1 1 286.375 2.761 40 0 CFABMO c1ccn(C[C@@H]2CC[C@@H]3[C@H]2OCC[N@@H+]3Cc2ccoc2)c1 ZINC000107257244 186164516 /nfs/dbraw/zinc/16/45/16/186164516.db2.gz XPIAAHJTTOHITQ-BBWFWOEESA-N 1 1 286.375 2.761 40 0 CFABMO c1ccn(C[C@@H]2CC[C@@H]3[C@H]2OCC[N@H+]3Cc2ccoc2)c1 ZINC000107257244 186164518 /nfs/dbraw/zinc/16/45/18/186164518.db2.gz XPIAAHJTTOHITQ-BBWFWOEESA-N 1 1 286.375 2.761 40 0 CFABMO COC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(C)o1)C2 ZINC000107711042 186187674 /nfs/dbraw/zinc/18/76/74/186187674.db2.gz GKOXGLMHTKTTGE-CVEARBPZSA-N 1 1 279.380 2.606 40 0 CFABMO Cc1ccc(F)cc1C[N@H+]1CCC[C@@]2(CCNC2=O)CC1 ZINC000108527004 186221462 /nfs/dbraw/zinc/22/14/62/186221462.db2.gz NRPAPJLPOQOVGR-QGZVFWFLSA-N 1 1 290.382 2.626 40 0 CFABMO CN1[C@@H](c2ccccc2)CC(=O)[C@H]([NH3+])[C@@H]1c1ccccc1 ZINC000022859188 283260824 /nfs/dbraw/zinc/26/08/24/283260824.db2.gz HPNXAOJGCPUSLE-NJAFHUGGSA-N 1 1 280.371 2.701 40 0 CFABMO C[N@H+]1CCC[C@H](Cc2cccc(Br)n2)C1 ZINC000205698456 540880984 /nfs/dbraw/zinc/88/09/84/540880984.db2.gz KINSITRTXMZDAK-SNVBAGLBSA-N 1 1 269.186 2.728 40 0 CFABMO Nc1[nH+]cnc2c1ccn2Cc1c(F)cccc1Cl ZINC000001578385 371682586 /nfs/dbraw/zinc/68/25/86/371682586.db2.gz WHOUNDABTSSTPW-UHFFFAOYSA-N 1 1 276.702 2.854 40 0 CFABMO C[N@@H+]1[C@@H]2CC[C@H]1CC(OC(=O)/C=C/c1ccccc1)C2 ZINC000001609697 371686506 /nfs/dbraw/zinc/68/65/06/371686506.db2.gz WTIWQHQPUWFUPX-NUUMQCRXSA-N 1 1 271.360 2.868 40 0 biogenic,in-vitro CFABMO COc1ccc(CN[C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000004019249 371827800 /nfs/dbraw/zinc/82/78/00/371827800.db2.gz DAGGEUHIWOTDNG-IPYPFGDCSA-N 1 1 292.423 2.522 40 0 CFABMO Cc1cccc(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2C)c1C ZINC000004305013 371848480 /nfs/dbraw/zinc/84/84/80/371848480.db2.gz WCIWGAPSFOBMTR-HOCLYGCPSA-N 1 1 277.408 2.918 40 0 CFABMO C[N@@H+]1[C@@H]2CC[C@H]1CC(OC(=O)c1c[nH]c3ccccc13)C2 ZINC000004340278 371851432 /nfs/dbraw/zinc/85/14/32/371851432.db2.gz RIJFNUHYNBVLOZ-YOOVYSLHSA-N 1 1 284.359 2.655 40 0 in-vitro CFABMO CCc1ccc(C[C@@]2(O)C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000004342786 371851811 /nfs/dbraw/zinc/85/18/11/371851811.db2.gz CZHRRKKPZIBEFS-VBQJREDUSA-N 1 1 261.409 2.883 40 0 CFABMO CC(C)Oc1ccc(C(=O)OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000004416757 371855383 /nfs/dbraw/zinc/85/53/83/371855383.db2.gz HNYHPXPHZLQILY-AWEZNQCLSA-N 1 1 291.391 2.972 40 0 CFABMO CC[C@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2CC1=O ZINC000004706363 371873633 /nfs/dbraw/zinc/87/36/33/371873633.db2.gz BOBCQOOZINHVMK-FZMZJTMJSA-N 1 1 289.375 2.602 40 0 in-vitro CFABMO CC[C@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2CC1=O ZINC000004706363 371873638 /nfs/dbraw/zinc/87/36/38/371873638.db2.gz BOBCQOOZINHVMK-FZMZJTMJSA-N 1 1 289.375 2.602 40 0 in-vitro CFABMO C[C@H]1CCC[C@@H]1OC[C@H](O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000010434804 371908658 /nfs/dbraw/zinc/90/86/58/371908658.db2.gz YNHPVKYUSWWEAF-NPJQDHAYSA-N 1 1 269.429 2.530 40 0 CFABMO Cc1ccc(C2=NO[C@H]3C[N@H+](Cc4ccccn4)C[C@H]23)cc1 ZINC000019208933 372151739 /nfs/dbraw/zinc/15/17/39/372151739.db2.gz BIQCIQUCYIYYGR-IRXDYDNUSA-N 1 1 293.370 2.625 40 0 CFABMO Cc1ccc(C2=NO[C@H]3C[N@@H+](Cc4ccccn4)C[C@H]23)cc1 ZINC000019208933 372151746 /nfs/dbraw/zinc/15/17/46/372151746.db2.gz BIQCIQUCYIYYGR-IRXDYDNUSA-N 1 1 293.370 2.625 40 0 CFABMO CCn1c(C[NH+]2CCC(C)CC2)nc2ccccc2c1=O ZINC000019524194 372174043 /nfs/dbraw/zinc/17/40/43/372174043.db2.gz PKZGNLXYAMQUDZ-UHFFFAOYSA-N 1 1 285.391 2.648 40 0 CFABMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cc(F)cc(F)c1 ZINC000019575716 372175360 /nfs/dbraw/zinc/17/53/60/372175360.db2.gz HMGJVSIRRKXLRA-XHDPSFHLSA-N 1 1 266.335 2.633 40 0 CFABMO C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2Cl)C1 ZINC000026919746 372330451 /nfs/dbraw/zinc/33/04/51/372330451.db2.gz PZHMKCPFKTYWHY-CHWSQXEVSA-N 1 1 283.799 2.812 40 0 CFABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)N(C)C)cc2)C1 ZINC000030758688 372397345 /nfs/dbraw/zinc/39/73/45/372397345.db2.gz MWWSADZKYCJNBS-CYBMUJFWSA-N 1 1 260.381 2.620 40 0 CFABMO CN1CCC([N@H+]2CC[C@H](c3nc4ccccc4o3)C2)CC1 ZINC000049168879 373273596 /nfs/dbraw/zinc/27/35/96/373273596.db2.gz JYKRSVIBYBLVKU-ZDUSSCGKSA-N 1 1 285.391 2.711 40 0 biogenic,in-vitro CFABMO CCCc1nnc([C@H]2CC[N@@H+](Cc3ccc(C)o3)C2)o1 ZINC000049170314 373275072 /nfs/dbraw/zinc/27/50/72/373275072.db2.gz RRXVSZQFRLWXSE-LBPRGKRZSA-N 1 1 275.352 2.913 40 0 biogenic,in-vitro CFABMO COc1ccc([C@H]2C[N@@H+](Cc3ccccc3)CCN2)cc1 ZINC000056894878 373574106 /nfs/dbraw/zinc/57/41/06/373574106.db2.gz SKMDMYKRKYICEO-GOSISDBHSA-N 1 1 282.387 2.842 40 0 CFABMO COc1ccc([C@H]2CN(Cc3ccccc3)CC[NH2+]2)cc1 ZINC000056894878 373574113 /nfs/dbraw/zinc/57/41/13/373574113.db2.gz SKMDMYKRKYICEO-GOSISDBHSA-N 1 1 282.387 2.842 40 0 CFABMO C[N@H+]1CCC[C@H](C(=O)Nc2cccc(Cl)c2)C1 ZINC000082324490 374735739 /nfs/dbraw/zinc/73/57/39/374735739.db2.gz INEYVXLBCQBXJP-JTQLQIEISA-N 1 1 252.745 2.620 40 0 CFABMO CCOC[C@H]1CCOC12C[NH+](Cc1cc(C)ccc1C)C2 ZINC000253385796 189987372 /nfs/dbraw/zinc/98/73/72/189987372.db2.gz UOVBCALMCVQMRH-QGZVFWFLSA-N 1 1 289.419 2.931 40 0 CFABMO Cc1cc(C[N@H+]2CC[C@H]3[C@H]2CCN3c2ncccn2)oc1C ZINC000096184838 375475213 /nfs/dbraw/zinc/47/52/13/375475213.db2.gz FFLIDQOFWXYPAN-CVEARBPZSA-N 1 1 298.390 2.540 40 0 CFABMO Cc1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)o1 ZINC000096184639 375475545 /nfs/dbraw/zinc/47/55/45/375475545.db2.gz GCUKDJMNKKAZRF-ZWKOTPCHSA-N 1 1 297.402 2.832 40 0 CFABMO Cc1ccc(CN2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)o1 ZINC000096184639 375475552 /nfs/dbraw/zinc/47/55/52/375475552.db2.gz GCUKDJMNKKAZRF-ZWKOTPCHSA-N 1 1 297.402 2.832 40 0 CFABMO Cc1ccc(CN2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)o1 ZINC000096184639 375475559 /nfs/dbraw/zinc/47/55/59/375475559.db2.gz GCUKDJMNKKAZRF-ZWKOTPCHSA-N 1 1 297.402 2.832 40 0 CFABMO Cc1nc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3CC(C)C)cs1 ZINC000096184271 375475829 /nfs/dbraw/zinc/47/58/29/375475829.db2.gz DCUUCSAEYIKSSC-GJZGRUSLSA-N 1 1 279.453 2.756 40 0 CFABMO COC[C@@H]1CCC2(CCN(Cc3ccc(C)o3)CC2)[N@H+]1C ZINC000096208682 375477934 /nfs/dbraw/zinc/47/79/34/375477934.db2.gz DARBQZLZHVZTPA-HNNXBMFYSA-N 1 1 292.423 2.663 40 0 CFABMO CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1csc(C)n1)C2 ZINC000096223538 375479297 /nfs/dbraw/zinc/47/92/97/375479297.db2.gz XTHFRRMUDPUMRO-LSDHHAIUSA-N 1 1 296.436 2.612 40 0 CFABMO CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1csc(C)n1)C2 ZINC000096223538 375479299 /nfs/dbraw/zinc/47/92/99/375479299.db2.gz XTHFRRMUDPUMRO-LSDHHAIUSA-N 1 1 296.436 2.612 40 0 CFABMO CC[N@H+]1CCCC12CCN(C(=O)c1ccsc1)CC2 ZINC000096227877 375479871 /nfs/dbraw/zinc/47/98/71/375479871.db2.gz HQGUBRMQLWPYTG-UHFFFAOYSA-N 1 1 278.421 2.839 40 0 CFABMO Cc1cccc(C[N@H+]2CCc3ncnc(C4CC4)c3CC2)n1 ZINC000096255087 375481086 /nfs/dbraw/zinc/48/10/86/375481086.db2.gz JKANFNFAMRRIBL-UHFFFAOYSA-N 1 1 294.402 2.658 40 0 CFABMO Cc1ccc(C[N@H+]2CCc3ncnc(C)c3CC2)s1 ZINC000096254949 375481705 /nfs/dbraw/zinc/48/17/05/375481705.db2.gz KVLCSKPGQFRZIQ-UHFFFAOYSA-N 1 1 273.405 2.756 40 0 CFABMO CCC[N@H+]1CCC[C@H]([C@@H]2c3ccccc3NC2=O)C1 ZINC000096260830 375482369 /nfs/dbraw/zinc/48/23/69/375482369.db2.gz BSSYYHRCZMIBOS-SWLSCSKDSA-N 1 1 258.365 2.844 40 0 CFABMO Cc1cccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000096252434 375482495 /nfs/dbraw/zinc/48/24/95/375482495.db2.gz JMDIPJGMEZNDCF-IYBDPMFKSA-N 1 1 272.392 2.692 40 0 CFABMO FC(F)(F)Cn1ccc(C[NH2+]Cc2ccccc2)n1 ZINC000256054072 190005048 /nfs/dbraw/zinc/00/50/48/190005048.db2.gz UVRMQLNQPZVIED-UHFFFAOYSA-N 1 1 269.270 2.735 40 0 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298.430 2.836 40 0 CFABMO CCO[C@@H]1CSC2(C[NH+](Cc3scnc3C)C2)C1 ZINC000248068197 383210886 /nfs/dbraw/zinc/21/08/86/383210886.db2.gz XOMCEGJFVFFASQ-NSHDSACASA-N 1 1 284.450 2.548 40 0 CFABMO COC[C@H]1CC[N@@H+](C)C2(CN(Cc3ccccc3C)C2)C1 ZINC000248159733 383215529 /nfs/dbraw/zinc/21/55/29/383215529.db2.gz XBMCRFJYKIMYOE-INIZCTEOSA-N 1 1 288.435 2.538 40 0 CFABMO COC[C@H]1CCN(C)C2(C[NH+](Cc3ccccc3C)C2)C1 ZINC000248159733 383215535 /nfs/dbraw/zinc/21/55/35/383215535.db2.gz XBMCRFJYKIMYOE-INIZCTEOSA-N 1 1 288.435 2.538 40 0 CFABMO C[N@@H+](Cc1cncs1)[C@@H]1CCCN(c2ccccn2)C1 ZINC000257218945 383492803 /nfs/dbraw/zinc/49/28/03/383492803.db2.gz DEZCYOKARMGXDR-CYBMUJFWSA-N 1 1 288.420 2.639 40 0 CFABMO Cc1nc([C@@H]2CCC[N@H+](C)C2)cc(C(F)(F)F)n1 ZINC000257212612 383493604 /nfs/dbraw/zinc/49/36/04/383493604.db2.gz CEFKLXVTBNRLJY-SECBINFHSA-N 1 1 259.275 2.613 40 0 CFABMO CC(C)[N@H+]1CCC[C@@H](c2cccc(N3CCOC3=O)n2)C1 ZINC000257247515 383493790 /nfs/dbraw/zinc/49/37/90/383493790.db2.gz IZICLAJRQATJIC-CYBMUJFWSA-N 1 1 289.379 2.626 40 0 CFABMO CNc1cc([C@@H]2CCCN(c3nc(C)cc(C)n3)C2)cc[nH+]1 ZINC000257323020 383494459 /nfs/dbraw/zinc/49/44/59/383494459.db2.gz WIKZFJHSTZFYGP-OAHLLOKOSA-N 1 1 297.406 2.914 40 0 CFABMO CNc1cccc(CC[C@@H]2CCCCN2c2ccncn2)[nH+]1 ZINC000257293569 383494536 /nfs/dbraw/zinc/49/45/36/383494536.db2.gz QQDJTPKAIHHIHB-HNNXBMFYSA-N 1 1 297.406 2.905 40 0 CFABMO Cc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2nccn2C(C)C)C1 ZINC000257344455 383494708 /nfs/dbraw/zinc/49/47/08/383494708.db2.gz ZXHCKEUOLPSDOC-AWEZNQCLSA-N 1 1 287.411 2.875 40 0 CFABMO Cc1c[nH]nc1[C@H]1CCC[N@H+](Cc2nccn2C(C)C)C1 ZINC000257344455 383494711 /nfs/dbraw/zinc/49/47/11/383494711.db2.gz ZXHCKEUOLPSDOC-AWEZNQCLSA-N 1 1 287.411 2.875 40 0 CFABMO Cc1cc(N2CCCCC2)[nH+]cc1[C@H]1CCCN1C=O ZINC000072219208 393645970 /nfs/dbraw/zinc/64/59/70/393645970.db2.gz UPIOAFJRIMNEOO-OAHLLOKOSA-N 1 1 273.380 2.674 40 0 CFABMO CCc1ccc([C@H]2[C@@H]([NH3+])C(=O)N2c2ccc(OC)cc2)cc1 ZINC000072227181 393647879 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C[N@H+]1CCC[C@@H]2N(C(=O)OC(C)(C)C)CCC[C@@]21C ZINC000254286871 393942670 /nfs/dbraw/zinc/94/26/70/393942670.db2.gz MFURMCJSPLMXDW-WFASDCNBSA-N 1 1 268.401 2.870 40 0 CFABMO CC[C@@H](C)N1C[C@@]2(CCC[N@H+]([C@@H](C)CC)C2)C1=O ZINC000585099307 395100361 /nfs/dbraw/zinc/10/03/61/395100361.db2.gz CMLCFZXWVNFPCH-GUTXKFCHSA-N 1 1 252.402 2.508 40 0 CFABMO CCC(=O)N1N=C2[C@H]([C@@H]1c1ccco1)[C@H](C)[N@@H+](C)C[C@@H]2C ZINC000004724368 170006048 /nfs/dbraw/zinc/00/60/48/170006048.db2.gz URLGZASRDBGECB-WYURAEBNSA-N 1 1 289.379 2.515 40 0 CFABMO C[N@@H+]1[C@@H]2CC[C@H]1CC(OC(=O)c1ccc(F)cc1)C2 ZINC000005377685 170090996 /nfs/dbraw/zinc/09/09/96/170090996.db2.gz YXDFSLSXLYAAPF-PBWFPOADSA-N 1 1 263.312 2.608 40 0 CFABMO CC(C)(C)C(=O)OC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000005383571 170092899 /nfs/dbraw/zinc/09/28/99/170092899.db2.gz JJYKYGSRKXDFDX-CHWSQXEVSA-N 1 1 253.386 2.840 40 0 biogenic,in-vitro CFABMO Cc1ccc(NC(=S)NC[C@H]2CCC[N@H+](C)C2)cc1C ZINC000009876173 170388156 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ZINC000071241870 176094358 /nfs/dbraw/zinc/09/43/58/176094358.db2.gz JZZQKEMVKKJESH-LLVKDONJSA-N 1 1 289.297 2.917 40 0 CFABMO C[N@H+]1CCC[C@H]1c1ccc(-c2cccc(C(N)=O)c2)cn1 ZINC000072352977 176374577 /nfs/dbraw/zinc/37/45/77/176374577.db2.gz ZBKJARRUDTWKMB-INIZCTEOSA-N 1 1 281.359 2.614 40 0 CFABMO COc1cccc(-c2nccnc2[C@H]2CCC[N@@H+](C)C2)c1 ZINC000072358366 176376204 /nfs/dbraw/zinc/37/62/04/176376204.db2.gz CLQUUDQEHXXULP-AWEZNQCLSA-N 1 1 283.375 2.961 40 0 CFABMO c1ccc(CC[N@H+]2CCC[C@@H](c3cnccn3)C2)cc1 ZINC000072363741 176378197 /nfs/dbraw/zinc/37/81/97/176378197.db2.gz MKNNRIARGNGFIV-MRXNPFEDSA-N 1 1 267.376 2.899 40 0 CFABMO C[N@H+]1CCC[C@@H](Cc2ccc(-c3cccnc3)nn2)CC1 ZINC000072365139 176380099 /nfs/dbraw/zinc/38/00/99/176380099.db2.gz IBRQJZNUSBNEMK-CQSZACIVSA-N 1 1 282.391 2.813 40 0 CFABMO COc1ccc(-c2nccc([C@@H]3CCC[N@H+]3C)n2)cc1 ZINC000072376469 176385064 /nfs/dbraw/zinc/38/50/64/176385064.db2.gz SHXUEXLHUPHMPP-HNNXBMFYSA-N 1 1 269.348 2.919 40 0 CFABMO CC(C)[N@H+]1CCC[C@@H](c2ccnc(Nc3cncnc3)n2)C1 ZINC000072377469 176385738 /nfs/dbraw/zinc/38/57/38/176385738.db2.gz RWHLAYPWGIVUOE-CYBMUJFWSA-N 1 1 298.394 2.598 40 0 CFABMO Cc1cccnc1Nc1cc([C@@H]2CCC[N@@H+]2C)nc(C)n1 ZINC000072382612 176388029 /nfs/dbraw/zinc/38/80/29/176388029.db2.gz KDCZHALSNXKKPH-AWEZNQCLSA-N 1 1 283.379 2.999 40 0 CFABMO Cc1nc(Nc2ncccn2)cc([C@H]2CCC[N@@H+]2C(C)C)n1 ZINC000072382645 176388298 /nfs/dbraw/zinc/38/82/98/176388298.db2.gz GAAWHYBTLMLRQF-CQSZACIVSA-N 1 1 298.394 2.864 40 0 CFABMO Cc1cccc(Nc2cc(C[C@H]3CCC[N@H+](C)C3)ncn2)n1 ZINC000072383483 176388724 /nfs/dbraw/zinc/38/87/24/176388724.db2.gz KZFPOAYJSJNHSR-CQSZACIVSA-N 1 1 297.406 2.808 40 0 CFABMO CN1CC[NH+](Cc2c3cccnc3[nH]c2C2CCCC2)CC1 ZINC000072393679 176394449 /nfs/dbraw/zinc/39/44/49/176394449.db2.gz FGNHVJZJRLFFOH-UHFFFAOYSA-N 1 1 298.434 2.968 40 0 CFABMO Cc1cc(C[N@H+]2CCC[C@H](CO)C2)c(C)n1-c1cccnc1 ZINC000072397802 176395792 /nfs/dbraw/zinc/39/57/92/176395792.db2.gz SQFMGNJCUBYVOI-INIZCTEOSA-N 1 1 299.418 2.693 40 0 CFABMO CCc1[nH+]ccn1CC(=O)Nc1cccc(N2CCCC2)c1 ZINC000072397980 176396096 /nfs/dbraw/zinc/39/60/96/176396096.db2.gz UUYASUUILWCHQC-UHFFFAOYSA-N 1 1 298.390 2.684 40 0 CFABMO Cc1[nH+]ccn1C[C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000072398282 176396363 /nfs/dbraw/zinc/39/63/63/176396363.db2.gz AUXOGHFYPJTFQQ-QWHCGFSZSA-N 1 1 271.364 2.705 40 0 CFABMO CCC[N@H+]1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1 ZINC000225486925 276014136 /nfs/dbraw/zinc/01/41/36/276014136.db2.gz SHEGFGCSPGOEOY-ZDUSSCGKSA-N 1 1 278.327 2.767 40 0 biogenic,in-vitro CFABMO CCOC[C@@H]1Cn2nccc2C[N@H+](Cc2ccsc2)C1 ZINC000096059209 276331711 /nfs/dbraw/zinc/33/17/11/276331711.db2.gz HHXCDYUBZQHZAH-AWEZNQCLSA-N 1 1 291.420 2.613 40 0 CFABMO CCOC[C@@H]1Cn2nccc2C[N@@H+](Cc2ccsc2)C1 ZINC000096059209 276331713 /nfs/dbraw/zinc/33/17/13/276331713.db2.gz HHXCDYUBZQHZAH-AWEZNQCLSA-N 1 1 291.420 2.613 40 0 CFABMO [NH3+][C@@H]1c2cc(-c3ccccc3Cl)ccc2NC1=O ZINC000536558919 330365848 /nfs/dbraw/zinc/36/58/48/330365848.db2.gz LWADQGRFZHMINN-CYBMUJFWSA-N 1 1 258.708 2.959 40 0 CFABMO COc1ccc([C@@H]([NH3+])c2nc(-c3ccccc3F)n[nH]2)cc1 ZINC000095533711 185005748 /nfs/dbraw/zinc/00/57/48/185005748.db2.gz HULDSPICELQASC-CQSZACIVSA-N 1 1 298.321 2.668 40 0 CFABMO COc1ccc([C@H]([NH3+])c2nc(-c3cccs3)n[nH]2)cc1 ZINC000095533728 185007141 /nfs/dbraw/zinc/00/71/41/185007141.db2.gz QREKCUAFOAUXAX-LBPRGKRZSA-N 1 1 286.360 2.590 40 0 CFABMO COc1ccc(-c2n[nH]c([C@@H]([NH3+])Cc3ccccc3)n2)cc1 ZINC000095534831 185007924 /nfs/dbraw/zinc/00/79/24/185007924.db2.gz IZBKTISVCIWJGK-HNNXBMFYSA-N 1 1 294.358 2.723 40 0 CFABMO CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccoc1)C2 ZINC000096039312 185069346 /nfs/dbraw/zinc/06/93/46/185069346.db2.gz KRLYSIGFBFAJGL-HOTGVXAUSA-N 1 1 279.380 2.687 40 0 CFABMO CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccoc1)C2 ZINC000096039310 185069558 /nfs/dbraw/zinc/06/95/58/185069558.db2.gz KRLYSIGFBFAJGL-CVEARBPZSA-N 1 1 279.380 2.687 40 0 CFABMO c1ccc(CN2CCC3(CCC[N@@H+]3CC3CC3)CC2)nc1 ZINC000096049301 185072368 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Cc1ccc(CN2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)o1 ZINC000096053791 185074784 /nfs/dbraw/zinc/07/47/84/185074784.db2.gz FODQKOBDPUAGEG-IYBDPMFKSA-N 1 1 297.402 2.547 40 0 CFABMO Cc1ccc(CN2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)o1 ZINC000096053791 185074786 /nfs/dbraw/zinc/07/47/86/185074786.db2.gz FODQKOBDPUAGEG-IYBDPMFKSA-N 1 1 297.402 2.547 40 0 CFABMO c1ccn(C[C@H]2CC[C@@H]3[C@@H]2OCC[N@@H+]3Cc2ccco2)c1 ZINC000096055339 185076596 /nfs/dbraw/zinc/07/65/96/185076596.db2.gz BFTLRWSZXVRNFF-DJIMGWMZSA-N 1 1 286.375 2.761 40 0 CFABMO c1ccn(C[C@H]2CC[C@@H]3[C@@H]2OCC[N@H+]3Cc2ccco2)c1 ZINC000096055339 185076598 /nfs/dbraw/zinc/07/65/98/185076598.db2.gz BFTLRWSZXVRNFF-DJIMGWMZSA-N 1 1 286.375 2.761 40 0 CFABMO CCn1cc2c(n1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC000096060437 185079899 /nfs/dbraw/zinc/07/98/99/185079899.db2.gz WCKTXCKUECPZJM-HNNXBMFYSA-N 1 1 289.423 2.639 40 0 CFABMO CO[C@H]1CC[N@@H+](Cc2cccs2)[C@H]1Cc1ccncc1 ZINC000096069979 185085599 /nfs/dbraw/zinc/08/55/99/185085599.db2.gz PWNJBGLCXNCAIQ-HOTGVXAUSA-N 1 1 288.416 2.975 40 0 CFABMO COCC[C@@H]1CO[C@@]2(CC[N@@H+](Cc3ccccc3F)C2)C1 ZINC000096072047 185086487 /nfs/dbraw/zinc/08/64/87/185086487.db2.gz VQYUXQJJJXPFMF-YOEHRIQHSA-N 1 1 293.382 2.843 40 0 CFABMO COC[C@H]1C[N@@H+](Cc2sccc2C)Cc2cn(C)nc21 ZINC000096100571 185098254 /nfs/dbraw/zinc/09/82/54/185098254.db2.gz DWKJZSKPKHYJRG-CYBMUJFWSA-N 1 1 291.420 2.536 40 0 CFABMO CO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1sccc1C)C2 ZINC000096107430 185100312 /nfs/dbraw/zinc/10/03/12/185100312.db2.gz DPSBOGRFAIEPFT-ZFWWWQNUSA-N 1 1 281.421 2.826 40 0 CFABMO C[N@H+]1CCC[C@@H](C(=O)NC2CCCCCCC2)C1 ZINC000096629263 185108176 /nfs/dbraw/zinc/10/81/76/185108176.db2.gz URDKMSJTMJZRMR-CYBMUJFWSA-N 1 1 252.402 2.557 40 0 CFABMO Cc1cc(Nc2ccc(F)c(F)c2F)nc(N)[nH+]1 ZINC000127440431 187306299 /nfs/dbraw/zinc/30/62/99/187306299.db2.gz SKMVUKCFKLTGIA-UHFFFAOYSA-N 1 1 254.215 2.528 40 0 CFABMO CCC[C@@H](C(=O)c1cccc2c1OCO2)[NH+]1CCCC1 ZINC000097758806 347710171 /nfs/dbraw/zinc/71/01/71/347710171.db2.gz LBRDQHPPVAYKTK-ZDUSSCGKSA-N 1 1 275.348 2.863 40 0 in-vitro CFABMO CC(C)[N@H+]1CCC[C@H](Cc2ccc(Cl)nn2)C1 ZINC000259564457 348308927 /nfs/dbraw/zinc/30/89/27/348308927.db2.gz WTPDJVQYOUNOPY-LLVKDONJSA-N 1 1 253.777 2.793 40 0 CFABMO C[N@H+]1CC[C@@]12CCCN(C(=O)c1cc(Cl)ccc1F)C2 ZINC000585101824 348734169 /nfs/dbraw/zinc/73/41/69/348734169.db2.gz HNEQBEYCVDYJAB-OAHLLOKOSA-N 1 1 296.773 2.789 40 0 CFABMO CCCn1nccc1C[NH2+]Cc1cc(F)ccc1F ZINC000160147224 188457419 /nfs/dbraw/zinc/45/74/19/188457419.db2.gz KSONGYQDTPZCCE-UHFFFAOYSA-N 1 1 265.307 2.861 40 0 CFABMO CC1=C[C@@H](C)[C@H](COC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000001203311 371663342 /nfs/dbraw/zinc/66/33/42/371663342.db2.gz DUHAEGVEICDSOU-ILXRZTDVSA-N 1 1 265.397 2.864 40 0 CFABMO Cc1cccc(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000004276569 371846052 /nfs/dbraw/zinc/84/60/52/371846052.db2.gz RQGZRNBQLOZLAS-GJZGRUSLSA-N 1 1 263.381 2.609 40 0 CFABMO Cc1cccc(OC[C@@H](O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000004333107 371850579 /nfs/dbraw/zinc/85/05/79/371850579.db2.gz SSKLSJSAMGIPNT-XHSDSOJGSA-N 1 1 277.408 2.998 40 0 CFABMO COc1ccccc1C(=O)O[C@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000013756273 372047853 /nfs/dbraw/zinc/04/78/53/372047853.db2.gz KTZCSPSWFXRDPE-ZOWXZIJZSA-N 1 1 277.364 2.581 40 0 CFABMO Cc1ccc(C[NH2+]Cc2cc3ccccc3[nH]c2=O)o1 ZINC000013998547 372056287 /nfs/dbraw/zinc/05/62/87/372056287.db2.gz KPTPZJNUORNSQS-UHFFFAOYSA-N 1 1 268.316 2.719 40 0 CFABMO Cc1ccc(C2=NO[C@@H]3C[N@H+](Cc4ccccn4)C[C@H]23)cc1 ZINC000019208930 372151441 /nfs/dbraw/zinc/15/14/41/372151441.db2.gz BIQCIQUCYIYYGR-DLBZAZTESA-N 1 1 293.370 2.625 40 0 CFABMO Cc1ccc(C2=NO[C@@H]3C[N@@H+](Cc4ccccn4)C[C@H]23)cc1 ZINC000019208930 372151447 /nfs/dbraw/zinc/15/14/47/372151447.db2.gz BIQCIQUCYIYYGR-DLBZAZTESA-N 1 1 293.370 2.625 40 0 CFABMO Cc1nnc2n1[C@H]1C[N@H+](Cc3ccc(C)c(C)c3)C[C@H]1CC2 ZINC000019214032 372151997 /nfs/dbraw/zinc/15/19/97/372151997.db2.gz HUFUTFDCDKWSCZ-SJORKVTESA-N 1 1 296.418 2.823 40 0 CFABMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cccc2cccnc21 ZINC000019575148 372175903 /nfs/dbraw/zinc/17/59/03/372175903.db2.gz VBLAPMAKWRBCTI-RHSMWYFYSA-N 1 1 281.403 2.903 40 0 CFABMO O=C(c1cc2c(s1)CCCC2)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000036613025 372582447 /nfs/dbraw/zinc/58/24/47/372582447.db2.gz KQCWFILTVIABPN-CYBMUJFWSA-N 1 1 290.432 2.547 40 0 CFABMO c1coc(-c2nnc([C@H]3CC[N@H+](C4CCC4)C3)o2)c1 ZINC000049169475 373273093 /nfs/dbraw/zinc/27/30/93/373273093.db2.gz FENGWRVJKLSFTG-JTQLQIEISA-N 1 1 259.309 2.671 40 0 biogenic,in-vitro CFABMO Cc1nnc([C@H]2CC[N@@H+](Cc3ccccc3F)C2)o1 ZINC000049169193 373273183 /nfs/dbraw/zinc/27/31/83/373273183.db2.gz VGLWVVBTQXQPKB-LBPRGKRZSA-N 1 1 261.300 2.507 40 0 biogenic,in-vitro CFABMO COc1cccc(Nc2cc(N)[nH+]c(C3CC3)n2)c1 ZINC000049467622 373298799 /nfs/dbraw/zinc/29/87/99/373298799.db2.gz VLFJMNWMPDNMQY-UHFFFAOYSA-N 1 1 256.309 2.688 40 0 CFABMO Nc1ccc([NH2+]C2CCCCC2)c(-n2cnnc2)c1 ZINC000070461809 374183371 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CCCC[N@H+]1CCC[C@@H]1c1ccc(N2CCOCC2)nc1 ZINC000072216167 393644982 /nfs/dbraw/zinc/64/49/82/393644982.db2.gz NHSHSYMGWXTPSS-MRXNPFEDSA-N 1 1 289.423 2.855 40 0 CFABMO CCc1ccc([C@H]2[C@@H]([NH3+])C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000072228241 393650203 /nfs/dbraw/zinc/65/02/03/393650203.db2.gz NUJJKELQWJRIJT-SJORKVTESA-N 1 1 298.361 2.799 40 0 CFABMO CC(C)CC[N@H+]1C[C@@H]2C[C@H]1C(=O)N(C)c1ccccc1O2 ZINC000096111909 393816133 /nfs/dbraw/zinc/81/61/33/393816133.db2.gz QHWOZMCOTQFICZ-ZFWWWQNUSA-N 1 1 288.391 2.531 40 0 biogenic,in-vitro CFABMO Cc1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3c2ncc(C)cn2)o1 ZINC000107709558 393871255 /nfs/dbraw/zinc/87/12/55/393871255.db2.gz IZMZZAPECJEEMO-CVEARBPZSA-N 1 1 298.390 2.540 40 0 CFABMO Cn1cccc1CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000005066045 170063011 /nfs/dbraw/zinc/06/30/11/170063011.db2.gz NFCLHGXZFMHDTD-UHFFFAOYSA-N 1 1 283.419 2.779 40 0 CFABMO CCOC(=O)N1CCC(Nc2[nH]c3ccccc3[nH+]2)CC1 ZINC000006265584 170186598 /nfs/dbraw/zinc/18/65/98/170186598.db2.gz IMLIPHSGYFXWAA-UHFFFAOYSA-N 1 1 288.351 2.596 40 0 CFABMO COc1cc(C=O)ccc1OCC[N@H+]1CCC[C@H](C)C1 ZINC000009261305 170369505 /nfs/dbraw/zinc/36/95/05/170369505.db2.gz NVTIZANZXKWMCV-ZDUSSCGKSA-N 1 1 277.364 2.618 40 0 CFABMO Cc1ccc(NC(=S)NC[C@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000009876134 170388525 /nfs/dbraw/zinc/38/85/25/170388525.db2.gz NJSQGKUYWSNBJS-CQSZACIVSA-N 1 1 291.464 2.932 40 0 CFABMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(F)cc1F ZINC000019575756 170828479 /nfs/dbraw/zinc/82/84/79/170828479.db2.gz GJTSGSCKRTWULI-SMDDNHRTSA-N 1 1 266.335 2.633 40 0 CFABMO CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000038832138 174157105 /nfs/dbraw/zinc/15/71/05/174157105.db2.gz XPTGMZYOINEEDB-CYBMUJFWSA-N 1 1 280.799 2.688 40 0 CFABMO OC[C@@H]1CCC[N@H+](Cc2ccc(Br)s2)C1 ZINC000043677524 175088467 /nfs/dbraw/zinc/08/84/67/175088467.db2.gz AJWHFLJZKVCXPS-SECBINFHSA-N 1 1 290.226 2.715 40 0 CFABMO OC[C@@H]1CCC[N@@H+](Cc2ccc(Br)s2)C1 ZINC000043677524 175088468 /nfs/dbraw/zinc/08/84/68/175088468.db2.gz AJWHFLJZKVCXPS-SECBINFHSA-N 1 1 290.226 2.715 40 0 CFABMO CSc1ccc(CN2CCC[C@@H](C[NH3+])C2)cc1 ZINC000044527971 175192675 /nfs/dbraw/zinc/19/26/75/175192675.db2.gz SEKQTLJLHXPTOO-ZDUSSCGKSA-N 1 1 250.411 2.579 40 0 CFABMO CC(C)(C)OC(=O)[C@@H]([NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000071241876 176094482 /nfs/dbraw/zinc/09/44/82/176094482.db2.gz JZZQKEMVKKJESH-NSHDSACASA-N 1 1 289.297 2.917 40 0 CFABMO CC[NH+]1CCN(C(=O)c2cc(C(C)C)ccc2OC)CC1 ZINC000072206497 176342353 /nfs/dbraw/zinc/34/23/53/176342353.db2.gz YIJBLNQRGQGHDX-UHFFFAOYSA-N 1 1 290.407 2.596 40 0 CFABMO Cc1ccsc1CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000072324474 176369720 /nfs/dbraw/zinc/36/97/20/176369720.db2.gz HBMBWBRSPONVQT-QWHCGFSZSA-N 1 1 250.411 2.725 40 0 CFABMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(Br)o1 ZINC000072324568 176369814 /nfs/dbraw/zinc/36/98/14/176369814.db2.gz KJAVUNFFXFBSSK-QWRGUYRKSA-N 1 1 299.212 2.711 40 0 CFABMO Clc1cccc(OCCc2cc([C@@H]3CC[NH2+]C3)n[nH]2)c1 ZINC000072344103 176372566 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Cc1ccc(C2=NO[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]23)cc1 ZINC000072398488 176396380 /nfs/dbraw/zinc/39/63/80/176396380.db2.gz BIQCIQUCYIYYGR-IAGOWNOFSA-N 1 1 293.370 2.625 40 0 CFABMO Cc1[nH+]ccn1C[C@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000072398280 176396452 /nfs/dbraw/zinc/39/64/52/176396452.db2.gz AUXOGHFYPJTFQQ-STQMWFEESA-N 1 1 271.364 2.705 40 0 CFABMO Cc1ccc([C@@H]2[C@@H]([NH3+])C(=O)N2c2ccc(C)cc2)cc1 ZINC000061711285 278852786 /nfs/dbraw/zinc/85/27/86/278852786.db2.gz RGKWUPQSQGIZAY-HZPDHXFCSA-N 1 1 266.344 2.719 40 0 CFABMO CCNc1nc(N2Cc3ccccc3CC2(C)C)cc[nH+]1 ZINC000329010896 517659611 /nfs/dbraw/zinc/65/96/11/517659611.db2.gz MDBVSERMCLYGRX-UHFFFAOYSA-N 1 1 282.391 2.672 40 0 CFABMO CC(C)c1nnc([C@H]([NH3+])c2ccc(Cl)cc2)[nH]1 ZINC000095533936 185006291 /nfs/dbraw/zinc/00/62/91/185006291.db2.gz KNGUOFTYNDTLIY-SNVBAGLBSA-N 1 1 250.733 2.630 40 0 CFABMO COC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(C)o1)C2 ZINC000096038985 185068876 /nfs/dbraw/zinc/06/88/76/185068876.db2.gz GKOXGLMHTKTTGE-JKSUJKDBSA-N 1 1 279.380 2.606 40 0 CFABMO COC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(C)o1)C2 ZINC000096038984 185069607 /nfs/dbraw/zinc/06/96/07/185069607.db2.gz GKOXGLMHTKTTGE-HZPDHXFCSA-N 1 1 279.380 2.606 40 0 CFABMO Cc1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)o1 ZINC000096041583 185070375 /nfs/dbraw/zinc/07/03/75/185070375.db2.gz DONTWEAPTRYHQK-GVDBMIGSSA-N 1 1 291.391 2.746 40 0 CFABMO Cc1ccc(C[N@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)o1 ZINC000096041583 185070376 /nfs/dbraw/zinc/07/03/76/185070376.db2.gz DONTWEAPTRYHQK-GVDBMIGSSA-N 1 1 291.391 2.746 40 0 CFABMO CN1C(=O)CCC[C@]12CCC[N@@H+](Cc1cccs1)C2 ZINC000096049950 185073831 /nfs/dbraw/zinc/07/38/31/185073831.db2.gz XCHVUMMIKRIEPD-OAHLLOKOSA-N 1 1 278.421 2.725 40 0 CFABMO c1ccc(CO[C@@H]2CO[C@@]3(CC[N@@H+](CC4CC4)C3)C2)cc1 ZINC000096072381 185088200 /nfs/dbraw/zinc/08/82/00/185088200.db2.gz HYELJXGNOUSMAT-ROUUACIJSA-N 1 1 287.403 2.847 40 0 CFABMO CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cccs1)C2 ZINC000096107212 185099220 /nfs/dbraw/zinc/09/92/20/185099220.db2.gz QATINGISQUSVMP-HIFRSBDPSA-N 1 1 281.421 2.908 40 0 CFABMO Cc1nccn1-c1cncc([C@@H]2CCC[N@@H+]2C(C)C)n1 ZINC000072355534 282200125 /nfs/dbraw/zinc/20/01/25/282200125.db2.gz AWKHXCBVFOZQIX-AWEZNQCLSA-N 1 1 271.368 2.516 40 0 CFABMO Cc1csc([C@H]2CCC[N@H+](C3CCOCC3)C2)n1 ZINC000127584170 187317528 /nfs/dbraw/zinc/31/75/28/187317528.db2.gz GPENOXYBGBLDSE-LBPRGKRZSA-N 1 1 266.410 2.810 40 0 CFABMO CC(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000100012635 185701241 /nfs/dbraw/zinc/70/12/41/185701241.db2.gz ABOGULQHPLDMLL-OSYLJGHBSA-N 1 1 286.419 2.954 40 0 in-vitro CFABMO CC(C)[N@H+](Cc1ccccc1)[C@H]1CCCC[C@H]1NCCO ZINC000101674338 347715976 /nfs/dbraw/zinc/71/59/76/347715976.db2.gz STFFLKBXHRZMAC-MSOLQXFVSA-N 1 1 290.451 2.790 40 0 CFABMO CC(C)[N@@H+](Cc1ccccc1)[C@H]1CCCC[C@H]1NCCO ZINC000101674338 347715977 /nfs/dbraw/zinc/71/59/77/347715977.db2.gz STFFLKBXHRZMAC-MSOLQXFVSA-N 1 1 290.451 2.790 40 0 CFABMO Cc1ccc(C2(C(=O)N3CCC[C@@]4(CC[N@@H+]4C)C3)CC2)cc1 ZINC000585102320 348734124 /nfs/dbraw/zinc/73/41/24/348734124.db2.gz WZKMACVATXKCRZ-GOSISDBHSA-N 1 1 298.430 2.723 40 0 CFABMO CCOC[C@@H]1CC[N@@H+](C)C2(CN(Cc3ccc(C)o3)C2)C1 ZINC000585103474 348734300 /nfs/dbraw/zinc/73/43/00/348734300.db2.gz XCMFPJIQDFLVMD-OAHLLOKOSA-N 1 1 292.423 2.521 40 0 CFABMO O=C1NCC[C@]12CCC[N@H+](Cc1ccccc1Cl)CC2 ZINC000108527754 186221232 /nfs/dbraw/zinc/22/12/32/186221232.db2.gz YMLKADPSIDJVDM-INIZCTEOSA-N 1 1 292.810 2.832 40 0 CFABMO C[N@H+]1CC[C@@](O)(c2ccccc2)[C@H]([C@H](O)c2ccccc2)C1 ZINC000001769226 283101676 /nfs/dbraw/zinc/10/16/76/283101676.db2.gz BGKCTMYJKSVGSD-IPMKNSEASA-N 1 1 297.398 2.560 40 0 CFABMO CCCOc1ccccc1NC(=O)C[NH+]1CCCC1 ZINC000001587105 371684915 /nfs/dbraw/zinc/68/49/15/371684915.db2.gz XNQFXETWXIRNSK-UHFFFAOYSA-N 1 1 262.353 2.510 40 0 CFABMO C[C@H]1CCC[C@H]1OC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000010434847 371908459 /nfs/dbraw/zinc/90/84/59/371908459.db2.gz KSIMRCJXVNOUTP-BMGDILEWSA-N 1 1 289.419 2.611 40 0 CFABMO CCc1ccc(OC[C@@H](O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000012170178 371948588 /nfs/dbraw/zinc/94/85/88/371948588.db2.gz IHWQFPMIIUIMNO-UXLLHSPISA-N 1 1 291.435 2.967 40 0 CFABMO O=Cc1ccc(OC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1O ZINC000013425086 372027001 /nfs/dbraw/zinc/02/70/01/372027001.db2.gz ZHLARUGYDIKKSN-HOCLYGCPSA-N 1 1 289.375 2.848 40 0 CFABMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccncc1 ZINC000017466978 372134663 /nfs/dbraw/zinc/13/46/63/372134663.db2.gz KFIZLPOAJRUESW-GJZGRUSLSA-N 1 1 274.364 2.503 40 0 CFABMO Cc1nnc2n1[C@H]1C[N@H+](Cc3ccccc3C)C[C@H]1CC2 ZINC000019237269 372151570 /nfs/dbraw/zinc/15/15/70/372151570.db2.gz VXBYBRMLYMHQIY-CVEARBPZSA-N 1 1 282.391 2.514 40 0 CFABMO c1cnc([C@H]2CCC[N@H+](Cc3ccc4c(c3)OCO4)C2)cn1 ZINC000019345758 372157063 /nfs/dbraw/zinc/15/70/63/372157063.db2.gz HPERNZVJVRDLLH-AWEZNQCLSA-N 1 1 297.358 2.585 40 0 CFABMO C[C@@H]1CCCC[N@H+]1Cc1ccnc(-c2ccncc2)n1 ZINC000019496385 372168708 /nfs/dbraw/zinc/16/87/08/372168708.db2.gz GOMYFQALSFXUTP-CYBMUJFWSA-N 1 1 268.364 2.913 40 0 CFABMO CCn1c(C[N@@H+]2CCCC[C@@H]2C)nc2ccccc2c1=O ZINC000019524198 372174805 /nfs/dbraw/zinc/17/48/05/372174805.db2.gz PZVNVRGMPSXXFN-ZDUSSCGKSA-N 1 1 285.391 2.791 40 0 CFABMO CCn1c(C[N@H+]2CCCC[C@@H]2C)nc2ccccc2c1=O ZINC000019524198 372174810 /nfs/dbraw/zinc/17/48/10/372174810.db2.gz PZVNVRGMPSXXFN-ZDUSSCGKSA-N 1 1 285.391 2.791 40 0 CFABMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cc(F)ccc1F ZINC000019575728 372176885 /nfs/dbraw/zinc/17/68/85/372176885.db2.gz DOUVFOWPBNBIAS-SMDDNHRTSA-N 1 1 266.335 2.633 40 0 CFABMO [NH3+]CC1CCN(Cc2ccccc2Br)CC1 ZINC000019843444 372197725 /nfs/dbraw/zinc/19/77/25/372197725.db2.gz UIBRVPVAWYRACN-UHFFFAOYSA-N 1 1 283.213 2.620 40 0 CFABMO O=Cc1ccc(OCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000023228006 372254370 /nfs/dbraw/zinc/25/43/70/372254370.db2.gz LOWZPKPAXFEBGP-UHFFFAOYSA-N 1 1 281.355 2.936 40 0 CFABMO COc1ccc(SCCC[NH+]2CCOCC2)cc1 ZINC000031923649 372421964 /nfs/dbraw/zinc/42/19/64/372421964.db2.gz UXTWTVKNVCGHFO-UHFFFAOYSA-N 1 1 267.394 2.510 40 0 CFABMO COc1ccc2ccccc2c1[C@@H](CN)[NH+]1CCCC1 ZINC000032048749 372425435 /nfs/dbraw/zinc/42/54/35/372425435.db2.gz WLRYWRAJTKGBBT-OAHLLOKOSA-N 1 1 270.376 2.944 40 0 CFABMO CCOc1ccc([C@@H](CN)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000036092743 372556054 /nfs/dbraw/zinc/55/60/54/372556054.db2.gz YLHITQLEVOFUJB-XJKSGUPXSA-N 1 1 262.397 2.817 40 0 CFABMO CCOc1ccc([C@@H](CN)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000036092743 372556061 /nfs/dbraw/zinc/55/60/61/372556061.db2.gz YLHITQLEVOFUJB-XJKSGUPXSA-N 1 1 262.397 2.817 40 0 CFABMO O=C(c1cc2c(s1)CCCC2)N1CC[N@H+]2CCC[C@H]2C1 ZINC000036613026 372582179 /nfs/dbraw/zinc/58/21/79/372582179.db2.gz KQCWFILTVIABPN-ZDUSSCGKSA-N 1 1 290.432 2.547 40 0 CFABMO CC[NH+](CC)[C@H](CN)c1ccc(Br)cc1 ZINC000038860414 372775689 /nfs/dbraw/zinc/77/56/89/372775689.db2.gz PXWLPGDCHNEVJU-GFCCVEGCSA-N 1 1 271.202 2.791 40 0 CFABMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000057354207 373589788 /nfs/dbraw/zinc/58/97/88/373589788.db2.gz LILXUELARXKULD-HNNXBMFYSA-N 1 1 261.365 2.852 40 0 CFABMO COc1cccc([C@H]2C[N@@H+](Cc3ccccc3)CCN2)c1 ZINC000056894893 373574183 /nfs/dbraw/zinc/57/41/83/373574183.db2.gz JHMOTEPUZBNHLR-GOSISDBHSA-N 1 1 282.387 2.842 40 0 CFABMO COc1cccc([C@H]2CN(Cc3ccccc3)CC[NH2+]2)c1 ZINC000056894893 373574192 /nfs/dbraw/zinc/57/41/92/373574192.db2.gz JHMOTEPUZBNHLR-GOSISDBHSA-N 1 1 282.387 2.842 40 0 CFABMO CC1(C)[C@@H]([NH3+])C[C@H]1Cc1cc(CN2CCCCC2)on1 ZINC000067890122 374012947 /nfs/dbraw/zinc/01/29/47/374012947.db2.gz KGJFBMATTNWBKR-DOMZBBRYSA-N 1 1 277.412 2.576 40 0 biogenic,in-vitro CFABMO OCC[N@H+](Cc1cccc(Cl)c1Cl)C1CC1 ZINC000079420694 374610610 /nfs/dbraw/zinc/61/06/10/374610610.db2.gz SEWJHKBSDZLUID-UHFFFAOYSA-N 1 1 260.164 2.950 40 0 CFABMO OCC[N@@H+](Cc1cccc(Cl)c1Cl)C1CC1 ZINC000079420694 374610616 /nfs/dbraw/zinc/61/06/16/374610616.db2.gz SEWJHKBSDZLUID-UHFFFAOYSA-N 1 1 260.164 2.950 40 0 CFABMO COc1cccc(C[NH2+]Cc2ccn(C(C)C)n2)c1 ZINC000084225357 374769906 /nfs/dbraw/zinc/76/99/06/374769906.db2.gz ZSVXMVHQZBPGMG-UHFFFAOYSA-N 1 1 259.353 2.762 40 0 CFABMO Cc1ccc(C[N@@H+]2CCN(C)c3ncccc3C2)s1 ZINC000096060906 375468418 /nfs/dbraw/zinc/46/84/18/375468418.db2.gz RMSKHLRZONKXHJ-UHFFFAOYSA-N 1 1 273.405 2.904 40 0 CFABMO C[N@H+]1CCC[C@@]2(CCC(=O)N2Cc2ccccc2)CC1 ZINC000096071968 375468488 /nfs/dbraw/zinc/46/84/88/375468488.db2.gz VOZSBUXCKYWSFA-QGZVFWFLSA-N 1 1 272.392 2.664 40 0 CFABMO c1coc(C[N@@H+]2C[C@@H]3COC[C@]3(COCC3CCC3)C2)c1 ZINC000096208861 375478166 /nfs/dbraw/zinc/47/81/66/375478166.db2.gz YPXWSZYDCJLYEC-NVXWUHKLSA-N 1 1 291.391 2.545 40 0 CFABMO COc1nn(C)c2c1CCC[N@H+](Cc1ccc(C)s1)C2 ZINC000096254428 375481802 /nfs/dbraw/zinc/48/18/02/375481802.db2.gz XXUKEWJUSMYGFL-UHFFFAOYSA-N 1 1 291.420 2.747 40 0 CFABMO COc1nn(C)c2c1CCC[N@@H+](Cc1ccc(C)s1)C2 ZINC000096254428 375481809 /nfs/dbraw/zinc/48/18/09/375481809.db2.gz XXUKEWJUSMYGFL-UHFFFAOYSA-N 1 1 291.420 2.747 40 0 CFABMO O=C(NCCNc1cc[nH+]c2cc(Cl)ccc12)C1CC1 ZINC000098065858 375596316 /nfs/dbraw/zinc/59/63/16/375596316.db2.gz XNFCJHCYTDTRGO-UHFFFAOYSA-N 1 1 289.766 2.826 40 0 CFABMO COc1ccc(C[NH2+]Cc2cc(C(F)(F)F)n(C)n2)cc1 ZINC000256054003 190004774 /nfs/dbraw/zinc/00/47/74/190004774.db2.gz UOUFBBJDDGVJDA-UHFFFAOYSA-N 1 1 299.296 2.737 40 0 CFABMO Fc1ccc(C[NH2+]Cc2ccn(CC(F)(F)F)n2)cc1 ZINC000256054355 190005397 /nfs/dbraw/zinc/00/53/97/190005397.db2.gz VZIFITUDOXJVKT-UHFFFAOYSA-N 1 1 287.260 2.874 40 0 CFABMO CCOc1ccc(C(=O)O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000100662439 375625674 /nfs/dbraw/zinc/62/56/74/375625674.db2.gz SECVMSAYDWBWJD-FOLVSLTJSA-N 1 1 289.375 2.867 40 0 CFABMO Cc1ccc(C[C@@H]2CCC[N@H+](Cc3ccn(C)n3)C2)cn1 ZINC000257207511 190011509 /nfs/dbraw/zinc/01/15/09/190011509.db2.gz BICFGFSVEZESAL-INIZCTEOSA-N 1 1 284.407 2.578 40 0 CFABMO Cc1ccc(C[N@@H+]2CCCC[C@H]2c2ccnc(N)n2)o1 ZINC000257217393 190013799 /nfs/dbraw/zinc/01/37/99/190013799.db2.gz CYTIWDHMNUKFHC-AWEZNQCLSA-N 1 1 272.352 2.687 40 0 CFABMO Cc1ccc(C[N@H+]2CCCC[C@H]2c2ccnc(N)n2)o1 ZINC000257217393 190013800 /nfs/dbraw/zinc/01/38/00/190013800.db2.gz CYTIWDHMNUKFHC-AWEZNQCLSA-N 1 1 272.352 2.687 40 0 CFABMO Cc1cn(C)c([C@@H]2CCC[N@H+](Cc3cscn3)C2)n1 ZINC000257229984 190016436 /nfs/dbraw/zinc/01/64/36/190016436.db2.gz GAFRTRGPSAPAMJ-GFCCVEGCSA-N 1 1 276.409 2.565 40 0 CFABMO Cc1cn(C)c([C@@H]2CCC[N@@H+](Cc3cscn3)C2)n1 ZINC000257229984 190016437 /nfs/dbraw/zinc/01/64/37/190016437.db2.gz GAFRTRGPSAPAMJ-GFCCVEGCSA-N 1 1 276.409 2.565 40 0 CFABMO Cc1ncsc1C[N@@H+]1CCC[C@@H]1c1cnccn1 ZINC000257232912 190016927 /nfs/dbraw/zinc/01/69/27/190016927.db2.gz GMYKPQVOIOMNGM-GFCCVEGCSA-N 1 1 260.366 2.579 40 0 CFABMO Cc1ncsc1C[N@H+]1CCC[C@@H]1c1cnccn1 ZINC000257232912 190016928 /nfs/dbraw/zinc/01/69/28/190016928.db2.gz GMYKPQVOIOMNGM-GFCCVEGCSA-N 1 1 260.366 2.579 40 0 CFABMO COc1cc(C[N@H+]2CC[C@@H](c3cc[nH]n3)C2)ccc1F ZINC000257234059 190017124 /nfs/dbraw/zinc/01/71/24/190017124.db2.gz GRXHPBIRCZFQJB-GFCCVEGCSA-N 1 1 275.327 2.547 40 0 CFABMO c1ncc(C[N@@H+]2CCC[C@@H](Cc3cccnc3)C2)s1 ZINC000257227320 190015117 /nfs/dbraw/zinc/01/51/17/190015117.db2.gz FOSIBNJSSOBLNO-AWEZNQCLSA-N 1 1 273.405 2.993 40 0 CFABMO Cc1c[nH]nc1C[C@@H]1CCC[N@H+](Cc2cscn2)C1 ZINC000257253312 190020579 /nfs/dbraw/zinc/02/05/79/190020579.db2.gz JYJUDTCOKXKINH-LBPRGKRZSA-N 1 1 276.409 2.629 40 0 CFABMO Cc1c[nH]nc1C[C@@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC000257253312 190020580 /nfs/dbraw/zinc/02/05/80/190020580.db2.gz JYJUDTCOKXKINH-LBPRGKRZSA-N 1 1 276.409 2.629 40 0 CFABMO C[N@H+]1CCN(Cc2ccccn2)C[C@@H]1c1ccccc1 ZINC000257255633 190020908 /nfs/dbraw/zinc/02/09/08/190020908.db2.gz KIGPFSWDMQJTPP-QGZVFWFLSA-N 1 1 267.376 2.570 40 0 CFABMO CN1CC[N@H+](Cc2ccccn2)C[C@@H]1c1ccccc1 ZINC000257255633 190020910 /nfs/dbraw/zinc/02/09/10/190020910.db2.gz KIGPFSWDMQJTPP-QGZVFWFLSA-N 1 1 267.376 2.570 40 0 CFABMO CN1CC[N@@H+](Cc2ccccn2)C[C@@H]1c1ccccc1 ZINC000257255633 190020911 /nfs/dbraw/zinc/02/09/11/190020911.db2.gz KIGPFSWDMQJTPP-QGZVFWFLSA-N 1 1 267.376 2.570 40 0 CFABMO Cc1n[nH]cc1-c1cnc([C@@H]2CCC[N@H+](C(C)C)C2)cn1 ZINC000257251942 190020137 /nfs/dbraw/zinc/02/01/37/190020137.db2.gz JSXZUVQHSMZDKW-CYBMUJFWSA-N 1 1 285.395 2.763 40 0 CFABMO Cc1c[nH]nc1[C@H]1CC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000257248994 190020195 /nfs/dbraw/zinc/02/01/95/190020195.db2.gz JGFDVILQQOYRBQ-ZDUSSCGKSA-N 1 1 289.354 2.726 40 0 CFABMO C[C@@]1(c2ccnc3ccnn32)CCC[N@@H+]1Cc1cncs1 ZINC000257264273 190022860 /nfs/dbraw/zinc/02/28/60/190022860.db2.gz LTRSIHIWSNREOT-HNNXBMFYSA-N 1 1 299.403 2.697 40 0 CFABMO C[C@@]1(c2ccnc3ccnn32)CCC[N@H+]1Cc1cncs1 ZINC000257264273 190022861 /nfs/dbraw/zinc/02/28/61/190022861.db2.gz LTRSIHIWSNREOT-HNNXBMFYSA-N 1 1 299.403 2.697 40 0 CFABMO Cc1c[nH]c([C@@H]2CC[N@@H+](CC3=Cc4ccccc4OC3)C2)n1 ZINC000257265686 190023490 /nfs/dbraw/zinc/02/34/90/190023490.db2.gz LZWBXKOHMCPWRU-MRXNPFEDSA-N 1 1 295.386 2.983 40 0 CFABMO CNc1cc([C@H]2CCC[N@@H+](Cc3cnn(C)c3C)C2)ccn1 ZINC000257267897 190023567 /nfs/dbraw/zinc/02/35/67/190023567.db2.gz MJICTHDBAWBGCP-HNNXBMFYSA-N 1 1 299.422 2.545 40 0 CFABMO Cc1cc(C[N@@H+]2CCC[C@@H](Cc3ccccn3)C2)no1 ZINC000257260164 190022205 /nfs/dbraw/zinc/02/22/05/190022205.db2.gz LBORMEAQZQFUMK-AWEZNQCLSA-N 1 1 271.364 2.833 40 0 CFABMO Cc1cc(C[N@H+]2CCC[C@@H](Cc3ccccn3)C2)no1 ZINC000257260164 190022206 /nfs/dbraw/zinc/02/22/06/190022206.db2.gz LBORMEAQZQFUMK-AWEZNQCLSA-N 1 1 271.364 2.833 40 0 CFABMO Fc1ccc(C[N@H+]2CC[C@@H](c3ccnc4nccn43)C2)cc1 ZINC000257278433 190025359 /nfs/dbraw/zinc/02/53/59/190025359.db2.gz OCGGTVNQUYLLDJ-CQSZACIVSA-N 1 1 296.349 2.858 40 0 CFABMO Cc1c[nH]nc1[C@@H]1CC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000257281786 190026064 /nfs/dbraw/zinc/02/60/64/190026064.db2.gz OQZWXJCMXNAJOH-MRXNPFEDSA-N 1 1 295.386 2.983 40 0 CFABMO Cc1cc(C)nc([C@H]2CCN(c3[nH+]cccc3C)C2)n1 ZINC000257285337 190027396 /nfs/dbraw/zinc/02/73/96/190027396.db2.gz PGQYYOBHBIYNCU-AWEZNQCLSA-N 1 1 268.364 2.791 40 0 CFABMO Cc1nn(C)c(C)c1C[N@H+]1CCC[C@@H](Cc2cccnc2)C1 ZINC000257298118 190029222 /nfs/dbraw/zinc/02/92/22/190029222.db2.gz RKFRCMGKDQJCFP-KRWDZBQOSA-N 1 1 298.434 2.887 40 0 CFABMO Cc1cc(C[NH+]2CCC(C)(c3nccs3)CC2)no1 ZINC000257343884 190037474 /nfs/dbraw/zinc/03/74/74/190037474.db2.gz ZUTIWKYCHBVKPT-UHFFFAOYSA-N 1 1 277.393 2.993 40 0 CFABMO C[N@H+]1CCC[C@@H]1c1cccc(N2C(=O)OCC2(C)C)n1 ZINC000257311986 190032033 /nfs/dbraw/zinc/03/20/33/190032033.db2.gz ULXGWTVFCIZZGW-GFCCVEGCSA-N 1 1 275.352 2.584 40 0 CFABMO CCn1cc(C[N@@H+]2CCC[C@H]2c2ccnc(N(C)C)c2)cn1 ZINC000257310448 190032313 /nfs/dbraw/zinc/03/23/13/190032313.db2.gz UFCXKEVVCNKIIQ-INIZCTEOSA-N 1 1 299.422 2.701 40 0 CFABMO CCn1cc(C[N@H+]2CCC[C@H]2c2ccnc(N(C)C)c2)cn1 ZINC000257310448 190032314 /nfs/dbraw/zinc/03/23/14/190032314.db2.gz UFCXKEVVCNKIIQ-INIZCTEOSA-N 1 1 299.422 2.701 40 0 CFABMO c1cnc([C@H]2CCC[N@H+]2Cc2ccc3c(c2)OCCO3)cn1 ZINC000257320281 190033276 /nfs/dbraw/zinc/03/32/76/190033276.db2.gz VWAQKVOYEZLTNW-OAHLLOKOSA-N 1 1 297.358 2.585 40 0 CFABMO c1cnc([C@H]2CCC[N@@H+]2Cc2ccc3c(c2)OCCO3)cn1 ZINC000257320281 190033277 /nfs/dbraw/zinc/03/32/77/190033277.db2.gz VWAQKVOYEZLTNW-OAHLLOKOSA-N 1 1 297.358 2.585 40 0 CFABMO Cc1cccc(Nc2cncc([C@H]3CCC[N@H+](C)C3)n2)n1 ZINC000257328824 190034814 /nfs/dbraw/zinc/03/48/14/190034814.db2.gz XHFXPNITPWKAPC-ZDUSSCGKSA-N 1 1 283.379 2.733 40 0 CFABMO Cc1cnc(-c2cc([C@@H]3CCC[N@@H+]3C)nc(C)n2)s1 ZINC000257333001 190035396 /nfs/dbraw/zinc/03/53/96/190035396.db2.gz XZPMTFRREWBZQC-ZDUSSCGKSA-N 1 1 274.393 2.984 40 0 CFABMO Cc1nc[nH]c1C[N@@H+]1CCC[C@@H](c2ccnc(N(C)C)c2)C1 ZINC000257331597 190035412 /nfs/dbraw/zinc/03/54/12/190035412.db2.gz XTNQDOYKNBABIS-OAHLLOKOSA-N 1 1 299.422 2.559 40 0 CFABMO Cc1ccnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000257332928 190035472 /nfs/dbraw/zinc/03/54/72/190035472.db2.gz XZJHOSBOVYFPJO-HNNXBMFYSA-N 1 1 253.349 2.775 40 0 CFABMO c1csc(C[NH+]2CCC(c3ccn4nccc4n3)CC2)n1 ZINC000257337700 190036209 /nfs/dbraw/zinc/03/62/09/190036209.db2.gz YUAJVYVBWFEZNP-UHFFFAOYSA-N 1 1 299.403 2.565 40 0 CFABMO c1cc(CC[C@@H]2CCC[N@H+]2CC2CCOCC2)ccn1 ZINC000257344447 190037632 /nfs/dbraw/zinc/03/76/32/190037632.db2.gz ZXFNVNYFCXSZBB-KRWDZBQOSA-N 1 1 274.408 2.905 40 0 CFABMO Cc1ccccc1C(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000000055271 169519928 /nfs/dbraw/zinc/51/99/28/169519928.db2.gz BSPTUJWADWOYRC-RDJZCZTQSA-N 1 1 286.419 2.989 40 0 CFABMO C[N@H+]1CCC[C@@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 ZINC000306137679 382452354 /nfs/dbraw/zinc/45/23/54/382452354.db2.gz RCZLZJQWRJLCLV-OAHLLOKOSA-N 1 1 293.374 2.601 40 0 CFABMO C[NH2+]CCCNc1cc(C)nc2c(OC)ccc(OC)c12 ZINC000222691490 382803355 /nfs/dbraw/zinc/80/33/55/382803355.db2.gz FAAUPFJXWWUKBU-UHFFFAOYSA-N 1 1 289.379 2.582 40 0 CFABMO C[NH+](C)[C@@H](C(=O)NCC1=CCCCC1)c1ccccc1 ZINC000225100278 382812884 /nfs/dbraw/zinc/81/28/84/382812884.db2.gz NPRPRYGLHRQOKJ-MRXNPFEDSA-N 1 1 272.392 2.906 40 0 CFABMO c1ccc(C[NH+]2CC3(C2)C[C@@H](OCC2CC2)CS3)nc1 ZINC000247847803 383197749 /nfs/dbraw/zinc/19/77/49/383197749.db2.gz NJEMUFBLAPMDHY-OAHLLOKOSA-N 1 1 290.432 2.568 40 0 CFABMO Cc1cccc(CO[C@H]2CCOC3(C[NH+](C(C)C)C3)C2)n1 ZINC000247895478 383198761 /nfs/dbraw/zinc/19/87/61/383198761.db2.gz XEVPLBNYJCRCOS-INIZCTEOSA-N 1 1 290.407 2.548 40 0 CFABMO CC(C)[N@@H+]1Cc2cccn2C[C@@H](OCc2cccnc2)C1 ZINC000248005556 383206393 /nfs/dbraw/zinc/20/63/93/383206393.db2.gz PKADCLNMPYTTFH-QGZVFWFLSA-N 1 1 285.391 2.693 40 0 CFABMO C[C@]1(CO)C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000253380243 383453225 /nfs/dbraw/zinc/45/32/25/383453225.db2.gz NEPDTEDKCCEHIC-CHWSQXEVSA-N 1 1 273.298 2.679 40 0 CFABMO c1cc2n(c1)[C@H](COc1ccccn1)C[N@@H+](C1CCC1)C2 ZINC000253596824 383464057 /nfs/dbraw/zinc/46/40/57/383464057.db2.gz WHQIWTZPMITFRO-INIZCTEOSA-N 1 1 283.375 2.871 40 0 CFABMO c1cc2n(c1)[C@H](COc1ccccn1)C[N@H+](C1CCC1)C2 ZINC000253596824 383464061 /nfs/dbraw/zinc/46/40/61/383464061.db2.gz WHQIWTZPMITFRO-INIZCTEOSA-N 1 1 283.375 2.871 40 0 CFABMO C[N@H+](Cc1cscn1)[C@@H]1CCCN(c2ccccn2)C1 ZINC000257330250 383495150 /nfs/dbraw/zinc/49/51/50/383495150.db2.gz XNOVEVJEEYLVLZ-CQSZACIVSA-N 1 1 288.420 2.639 40 0 CFABMO C[N@@H+](Cc1cscn1)[C@@H]1CCCN(c2ccccn2)C1 ZINC000257330250 383495152 /nfs/dbraw/zinc/49/51/52/383495152.db2.gz XNOVEVJEEYLVLZ-CQSZACIVSA-N 1 1 288.420 2.639 40 0 CFABMO CC[N@H+]1CC[C@@H](c2cc(Nc3nccs3)nc(C)n2)C1 ZINC000257344338 383495183 /nfs/dbraw/zinc/49/51/83/383495183.db2.gz ZWTQBVZGNYMTRD-LLVKDONJSA-N 1 1 289.408 2.794 40 0 CFABMO Cc1c[nH]c([C@H]2CCCN(c3cccc(C)[nH+]3)C2)n1 ZINC000257332917 383495305 /nfs/dbraw/zinc/49/53/05/383495305.db2.gz XZIGDLBUPFEJEC-ZDUSSCGKSA-N 1 1 256.353 2.806 40 0 CFABMO [NH3+][C@H]1C(=O)N(c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000072227377 256703589 /nfs/dbraw/zinc/70/35/89/256703589.db2.gz MXDGLYMDLNKZRH-KGLIPLIRSA-N 1 1 272.735 2.755 40 0 CFABMO CCC(=O)N1N=C2[C@H]([C@H]1c1ccco1)[C@H](C)[N@@H+](C)C[C@@H]2C ZINC000004724367 393458825 /nfs/dbraw/zinc/45/88/25/393458825.db2.gz URLGZASRDBGECB-FNNPODNZSA-N 1 1 289.379 2.515 40 0 CFABMO CC(C)c1[nH]c2ncccc2c1C[NH+]1CCOCC1 ZINC000019451530 393483900 /nfs/dbraw/zinc/48/39/00/393483900.db2.gz LZILSEJFKJAGBZ-UHFFFAOYSA-N 1 1 259.353 2.519 40 0 CFABMO Cc1[nH+]c(N2CCCC2)ccc1[C@H]1CCCCN1C=O ZINC000072218953 393646361 /nfs/dbraw/zinc/64/63/61/393646361.db2.gz KEBAEMBABDTOHC-OAHLLOKOSA-N 1 1 273.380 2.674 40 0 CFABMO CCN(C)c1ccc([C@H](O)c2ccccc2)c(C)[nH+]1 ZINC000072224281 393647446 /nfs/dbraw/zinc/64/74/46/393647446.db2.gz FVNMZPVQNZCSRT-MRXNPFEDSA-N 1 1 256.349 2.928 40 0 CFABMO Cc1ccc([C@H]2[C@H]([NH3+])C(=O)N2c2cccc(C)c2)cc1 ZINC000072227403 393648966 /nfs/dbraw/zinc/64/89/66/393648966.db2.gz VCHVVLXMMSMAQN-HOTGVXAUSA-N 1 1 266.344 2.719 40 0 CFABMO [NH3+][C@@H]1C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000072227943 393649059 /nfs/dbraw/zinc/64/90/59/393649059.db2.gz QCIWLGXARLDIBR-KBPBESRZSA-N 1 1 272.735 2.755 40 0 CFABMO CC(C)C[N@H+]1CCCC2(CCN(c3cnccn3)CC2)C1 ZINC000096217543 393817455 /nfs/dbraw/zinc/81/74/55/393817455.db2.gz WHGRYVYJYWLWHI-UHFFFAOYSA-N 1 1 288.439 2.815 40 0 CFABMO Cc1cc(=O)[nH]c([C@@]2(C)CCC[N@@H+]2Cc2ccc(O)cc2)n1 ZINC000257222220 393945079 /nfs/dbraw/zinc/94/50/79/393945079.db2.gz DSKSJQFABNXKRM-QGZVFWFLSA-N 1 1 299.374 2.707 40 0 CFABMO Cc1cc(=O)[nH]c([C@@]2(C)CCC[N@H+]2Cc2ccc(O)cc2)n1 ZINC000257222220 393945083 /nfs/dbraw/zinc/94/50/83/393945083.db2.gz DSKSJQFABNXKRM-QGZVFWFLSA-N 1 1 299.374 2.707 40 0 CFABMO Cc1ccc(C(=O)N2CCC[C@]3(CCC[N@@H+]3C)CC2)o1 ZINC000585100147 395100209 /nfs/dbraw/zinc/10/02/09/395100209.db2.gz GUKDIZGVTDBDOV-MRXNPFEDSA-N 1 1 276.380 2.679 40 0 CFABMO CC[C@H](C)[N@H+]1CCC[C@@]2(CCC(=O)N2CCF)CC1 ZINC000585099805 395100462 /nfs/dbraw/zinc/10/04/62/395100462.db2.gz CCEYTXOJVXLRTB-DZGCQCFKSA-N 1 1 270.392 2.602 40 0 CFABMO OC[C@H]1C[C@H](c2ccccn2)C[N@@H+](Cc2ccccc2)C1 ZINC000004707533 170003119 /nfs/dbraw/zinc/00/31/19/170003119.db2.gz LDDTWGVJUHYAPN-IRXDYDNUSA-N 1 1 282.387 2.680 40 0 CFABMO COC(=O)[C@H]1CCC[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC000004769363 170013783 /nfs/dbraw/zinc/01/37/83/170013783.db2.gz XANXIGGTTWJFID-LBPRGKRZSA-N 1 1 272.348 2.553 40 0 CFABMO C[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(Cl)c2)C1 ZINC000009876586 170388395 /nfs/dbraw/zinc/38/83/95/170388395.db2.gz NQCWEVMXQLOYNU-LLVKDONJSA-N 1 1 281.787 2.803 40 0 CFABMO CCn1c(C[N@@H+]2CCC[C@@H](C)C2)nc2ccccc2c1=O ZINC000019524195 170825450 /nfs/dbraw/zinc/82/54/50/170825450.db2.gz IAOVBMLZXRICMH-CYBMUJFWSA-N 1 1 285.391 2.648 40 0 CFABMO CCn1c(C[N@H+]2CCC[C@@H](C)C2)nc2ccccc2c1=O ZINC000019524195 170825451 /nfs/dbraw/zinc/82/54/51/170825451.db2.gz IAOVBMLZXRICMH-CYBMUJFWSA-N 1 1 285.391 2.648 40 0 CFABMO CCOc1ccc([C@@H](CN)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000022172590 171368821 /nfs/dbraw/zinc/36/88/21/171368821.db2.gz YLHITQLEVOFUJB-CZUORRHYSA-N 1 1 262.397 2.817 40 0 CFABMO CCOc1ccc([C@@H](CN)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000022172590 171368823 /nfs/dbraw/zinc/36/88/23/171368823.db2.gz YLHITQLEVOFUJB-CZUORRHYSA-N 1 1 262.397 2.817 40 0 CFABMO CC[C@H](C)NC(=O)c1ccc(Cn2cc[nH+]c2C)cc1 ZINC000038832300 174157160 /nfs/dbraw/zinc/15/71/60/174157160.db2.gz ULJFSZACAVHQOE-LBPRGKRZSA-N 1 1 271.364 2.768 40 0 CFABMO O=C(NC1CC1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000038850079 174158072 /nfs/dbraw/zinc/15/80/72/174158072.db2.gz VFBOLJZCSUJOIV-CYBMUJFWSA-N 1 1 292.810 2.831 40 0 CFABMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1c(F)cccc1F ZINC000072324489 176369791 /nfs/dbraw/zinc/36/97/91/176369791.db2.gz YCTGNUODUMIMEP-RYUDHWBXSA-N 1 1 266.335 2.633 40 0 CFABMO CCN1CC[NH2+][C@H](Cc2ccc(-c3ccccc3)cc2)C1=O ZINC000072352833 176374104 /nfs/dbraw/zinc/37/41/04/176374104.db2.gz KQXBTFFXDHTAKL-GOSISDBHSA-N 1 1 294.398 2.716 40 0 CFABMO CNc1ncccc1C[N@H+]1CCC[C@H](c2cncc(C)n2)C1 ZINC000072364459 176379309 /nfs/dbraw/zinc/37/93/09/176379309.db2.gz GIJCPULEUOCXPY-AWEZNQCLSA-N 1 1 297.406 2.601 40 0 CFABMO COc1cccc(-c2nccc([C@H]3CCC[N@H+]3C)n2)c1 ZINC000072376466 176384989 /nfs/dbraw/zinc/38/49/89/176384989.db2.gz WWHHPRIYMVUYBR-OAHLLOKOSA-N 1 1 269.348 2.919 40 0 CFABMO CC(C)[N@H+]1CCC[C@H](c2ccnc(Nc3cncnc3)n2)C1 ZINC000072377468 176385679 /nfs/dbraw/zinc/38/56/79/176385679.db2.gz RWHLAYPWGIVUOE-ZDUSSCGKSA-N 1 1 298.394 2.598 40 0 CFABMO c1csc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000072381587 176387473 /nfs/dbraw/zinc/38/74/73/176387473.db2.gz SROBICZNHDSNON-CYBMUJFWSA-N 1 1 259.378 2.918 40 0 CFABMO c1csc([C@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000072381586 176387709 /nfs/dbraw/zinc/38/77/09/176387709.db2.gz SROBICZNHDSNON-ZDUSSCGKSA-N 1 1 259.378 2.918 40 0 CFABMO Cc1cccc(Nc2cc(C[C@@H]3CCC[N@H+](C)C3)ncn2)n1 ZINC000072383482 176388536 /nfs/dbraw/zinc/38/85/36/176388536.db2.gz KZFPOAYJSJNHSR-AWEZNQCLSA-N 1 1 297.406 2.808 40 0 CFABMO Cc1ncccc1Oc1nccnc1[C@H]1CCC[N@H+](C)C1 ZINC000072383481 176389045 /nfs/dbraw/zinc/38/90/45/176389045.db2.gz MFTJEHROMOEAFV-ZDUSSCGKSA-N 1 1 284.363 2.782 40 0 CFABMO Cc1c(C[N@H+]2CCC[C@@H](Cc3ccccn3)C2)cnn1C ZINC000072385661 176390488 /nfs/dbraw/zinc/39/04/88/176390488.db2.gz NBKFVNDXEMQTGX-HNNXBMFYSA-N 1 1 284.407 2.578 40 0 CFABMO CN(C)c1nc2ccccc2cc1C[N@H+]1CCC[C@@H](CO)C1 ZINC000072397807 176395471 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286.419 2.877 40 0 CFABMO CCOc1cc(CNCC[NH+](CC)CC)ccc1OC ZINC000020089708 372229033 /nfs/dbraw/zinc/22/90/33/372229033.db2.gz KJGBEJMBAGVAHD-UHFFFAOYSA-N 1 1 280.412 2.525 40 0 CFABMO CC(C)(C)OC(=O)NC1[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000033995612 372503590 /nfs/dbraw/zinc/50/35/90/372503590.db2.gz JYIFMNXUMIYQHE-YIONKMFJSA-N 1 1 288.391 2.642 40 0 CFABMO Brc1ccc2nc([C@@H]3CCC[NH2+]C3)[nH]c2c1 ZINC000037441103 372665075 /nfs/dbraw/zinc/66/50/75/372665075.db2.gz UUVYRPYGICUZDK-MRVPVSSYSA-N 1 1 280.169 2.792 40 0 CFABMO CCOC(=O)c1ccccc1Nc1cc(N)[nH+]c(C2CC2)n1 ZINC000049467645 373300253 /nfs/dbraw/zinc/30/02/53/373300253.db2.gz VOZYIGADVWLAFW-UHFFFAOYSA-N 1 1 298.346 2.857 40 0 CFABMO CC(=O)N1[C@@H]([NH2+]Cc2ccccc2)CCN1c1ccccc1 ZINC000055112294 373542078 /nfs/dbraw/zinc/54/20/78/373542078.db2.gz OJALATVNZAVFSP-GOSISDBHSA-N 1 1 295.386 2.776 40 0 CFABMO Fc1cccc([C@H]2C[N@H+](Cc3ccccc3)CCN2)c1 ZINC000056894958 373574448 /nfs/dbraw/zinc/57/44/48/373574448.db2.gz 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Cc1nc(C[N@@H+]2CC[C@@H](c3nccc(C)n3)C2)cs1 ZINC000257240008 190018049 /nfs/dbraw/zinc/01/80/49/190018049.db2.gz HRSFKUXJYNCSQW-GFCCVEGCSA-N 1 1 274.393 2.539 40 0 CFABMO Cc1nc(C[N@H+]2CC[C@@H](c3nccc(C)n3)C2)cs1 ZINC000257240008 190018050 /nfs/dbraw/zinc/01/80/50/190018050.db2.gz HRSFKUXJYNCSQW-GFCCVEGCSA-N 1 1 274.393 2.539 40 0 CFABMO C[N@H+]1CCC[C@@]2(C)[C@H]1CCCN2Cc1cccnc1 ZINC000257243583 190018556 /nfs/dbraw/zinc/01/85/56/190018556.db2.gz IHQIFQXQRPAJRW-CVEARBPZSA-N 1 1 259.397 2.530 40 0 CFABMO CN(C)c1nc([C@@H]2CCC[N@H+]2CC2CC2)cn2cccc12 ZINC000257251403 190019968 /nfs/dbraw/zinc/01/99/68/190019968.db2.gz JQQAGPMPXAINOK-HNNXBMFYSA-N 1 1 284.407 2.947 40 0 CFABMO CCCCc1ncc(C[N@H+]2CC[C@@H](c3n[nH]cc3C)C2)[nH]1 ZINC000257266189 190022959 /nfs/dbraw/zinc/02/29/59/190022959.db2.gz MBYAGTNQOJWXMH-CYBMUJFWSA-N 1 1 287.411 2.773 40 0 CFABMO CCCCc1nc(C[N@@H+]2CC[C@@H](c3n[nH]cc3C)C2)c[nH]1 ZINC000257266189 190022960 /nfs/dbraw/zinc/02/29/60/190022960.db2.gz MBYAGTNQOJWXMH-CYBMUJFWSA-N 1 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282365617 /nfs/dbraw/zinc/36/56/17/282365617.db2.gz IKCHVKAIYUJMEP-CABCVRRESA-N 1 1 274.412 2.586 40 0 CFABMO COCC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000053400154 346545596 /nfs/dbraw/zinc/54/55/96/346545596.db2.gz MWQZZVGKDNDBNS-AWEZNQCLSA-N 1 1 277.364 2.631 40 0 CFABMO COC(=O)[C@@H]1C2CCC(CC2)[N@@H+]1Cc1ccccc1 ZINC000409430062 348601563 /nfs/dbraw/zinc/60/15/63/348601563.db2.gz KQQZZVAPQHAKNA-NRXISQOPSA-N 1 1 259.349 2.603 40 0 CFABMO COC(=O)[C@@H]1C2CCC(CC2)[N@H+]1Cc1ccccc1 ZINC000409430062 348601565 /nfs/dbraw/zinc/60/15/65/348601565.db2.gz KQQZZVAPQHAKNA-NRXISQOPSA-N 1 1 259.349 2.603 40 0 CFABMO [NH2+]=C(NO)[C@H](c1ccc(Br)cc1)n1cccc1 ZINC000409437930 348601926 /nfs/dbraw/zinc/60/19/26/348601926.db2.gz BIQKIWPUAMXALE-NSHDSACASA-N 1 1 294.152 2.796 40 0 CFABMO [NH2+]=C(NO)[C@@H](c1cccc(Br)c1)n1cccc1 ZINC000409438968 348602064 /nfs/dbraw/zinc/60/20/64/348602064.db2.gz FIROXKSNOMAJFM-LLVKDONJSA-N 1 1 294.152 2.796 40 0 CFABMO CCOC[C@H]1CC[N@@H+](C)C2(CN(Cc3ccc(C)o3)C2)C1 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YADWCNINSPBORK-OAHLLOKOSA-N 1 1 282.391 2.816 40 0 CFABMO C1CC[C@H](c2nc([C@@H]3CCCSCC3)no2)[NH2+]C1 ZINC000575415110 382770288 /nfs/dbraw/zinc/77/02/88/382770288.db2.gz RQBKLJMXSZYKAA-GHMZBOCLSA-N 1 1 267.398 2.885 40 0 CFABMO c1cc(C[NH+]2CC3(C2)C[C@@H](OCC2CC2)CS3)ccn1 ZINC000247816880 383196871 /nfs/dbraw/zinc/19/68/71/383196871.db2.gz BNCKCKMRESOJAB-OAHLLOKOSA-N 1 1 290.432 2.568 40 0 CFABMO CCO[C@@H]1Cn2cccc2C[N@H+](Cc2cccc(C)n2)C1 ZINC000247860699 383197692 /nfs/dbraw/zinc/19/76/92/383197692.db2.gz FVDQRKRDEYPXFH-KRWDZBQOSA-N 1 1 285.391 2.612 40 0 CFABMO CCO[C@@H]1Cn2cccc2C[N@@H+](Cc2cccc(C)n2)C1 ZINC000247860699 383197696 /nfs/dbraw/zinc/19/76/96/383197696.db2.gz FVDQRKRDEYPXFH-KRWDZBQOSA-N 1 1 285.391 2.612 40 0 CFABMO COC[C@@H]1C[N@H+](Cc2cccc3[nH]ccc32)Cc2cncn21 ZINC000247910932 383199081 /nfs/dbraw/zinc/19/90/81/383199081.db2.gz YKDLKURIGAAJLP-HNNXBMFYSA-N 1 1 296.374 2.568 40 0 CFABMO COC[C@@H]1C[N@@H+](Cc2cccc3[nH]ccc32)Cc2cncn21 ZINC000247910932 383199084 /nfs/dbraw/zinc/19/90/84/383199084.db2.gz YKDLKURIGAAJLP-HNNXBMFYSA-N 1 1 296.374 2.568 40 0 CFABMO CC(C)[N@@H+]1Cc2cccn2C[C@H](OCc2cccnc2)C1 ZINC000248005552 383206530 /nfs/dbraw/zinc/20/65/30/383206530.db2.gz PKADCLNMPYTTFH-KRWDZBQOSA-N 1 1 285.391 2.693 40 0 CFABMO C[C@]1(C(F)(F)F)C[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000253380213 383453662 /nfs/dbraw/zinc/45/36/62/383453662.db2.gz GDPKXXOYAFTTGT-STQMWFEESA-N 1 1 273.298 2.679 40 0 CFABMO C[N@@H+](Cc1cccnc1)[C@@H]1CCCN(c2ccccn2)C1 ZINC000257200584 383493563 /nfs/dbraw/zinc/49/35/63/383493563.db2.gz ADXNZWQAFNHYNW-MRXNPFEDSA-N 1 1 282.391 2.577 40 0 CFABMO CNc1cccc(CC[C@H]2CCCCN2c2ccncn2)[nH+]1 ZINC000257293570 383494729 /nfs/dbraw/zinc/49/47/29/383494729.db2.gz QQDJTPKAIHHIHB-OAHLLOKOSA-N 1 1 297.406 2.905 40 0 CFABMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCOCC2)nc1 ZINC000072216181 393644991 /nfs/dbraw/zinc/64/49/91/393644991.db2.gz JWYMRMPQLBZNJU-INIZCTEOSA-N 1 1 289.423 2.855 40 0 CFABMO Cc1cc(N)[nH+]cc1[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000072218507 393645124 /nfs/dbraw/zinc/64/51/24/393645124.db2.gz QYGHGTYLVYGOQG-HNNXBMFYSA-N 1 1 281.359 2.950 40 0 CFABMO [NH3+][C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1Cl ZINC000072227232 393647244 /nfs/dbraw/zinc/64/72/44/393647244.db2.gz GRSSHRTUTBNXNL-ZIAGYGMSSA-N 1 1 290.725 2.894 40 0 CFABMO CCc1ccc(N2C(=O)[C@@H]([NH3+])[C@@H]2c2ccccc2)cc1 ZINC000072227999 393648439 /nfs/dbraw/zinc/64/84/39/393648439.db2.gz IVAZKTYIERTUMT-HOTGVXAUSA-N 1 1 266.344 2.664 40 0 CFABMO CCc1ccc([C@H]2[C@@H]([NH3+])C(=O)N2c2ccc(C)cc2)cc1 ZINC000072227485 393648611 /nfs/dbraw/zinc/64/86/11/393648611.db2.gz TWLOXTAEEKKIFT-SJORKVTESA-N 1 1 280.371 2.973 40 0 CFABMO [NH3+][C@H]1C(=O)N(c2cccc(F)c2)[C@@H]1c1cccc(Cl)c1 ZINC000072227640 393648709 /nfs/dbraw/zinc/64/87/09/393648709.db2.gz OYTSYIIIGBFYJT-ZIAGYGMSSA-N 1 1 290.725 2.894 40 0 CFABMO [NH3+][C@@H]1C(=O)N(c2cccc(F)c2)[C@H]1c1cccc(Cl)c1 ZINC000072227639 393649097 /nfs/dbraw/zinc/64/90/97/393649097.db2.gz OYTSYIIIGBFYJT-KBPBESRZSA-N 1 1 290.725 2.894 40 0 CFABMO CCc1ccc([C@H]2[C@H]([NH3+])C(=O)N2c2cccc(C)c2)cc1 ZINC000072227439 393649124 /nfs/dbraw/zinc/64/91/24/393649124.db2.gz HNPFSCDVGLTFNN-IRXDYDNUSA-N 1 1 280.371 2.973 40 0 CFABMO [NH3+][C@H]1C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000072227944 393649229 /nfs/dbraw/zinc/64/92/29/393649229.db2.gz QCIWLGXARLDIBR-ZIAGYGMSSA-N 1 1 272.735 2.755 40 0 CFABMO Fc1ccc(C[N@H+]2CCC[C@H](c3cnccn3)C2)cc1 ZINC000072363724 393650396 /nfs/dbraw/zinc/65/03/96/393650396.db2.gz AHXVBWUIIAMNCK-AWEZNQCLSA-N 1 1 271.339 2.995 40 0 CFABMO CC(C)[N@@H+](CCO)C[C@@H]1CCCCN1Cc1ccccc1 ZINC000079394009 393718462 /nfs/dbraw/zinc/71/84/62/393718462.db2.gz CTDPVZTYXGLOQM-SFHVURJKSA-N 1 1 290.451 2.744 40 0 CFABMO CC(C)N(CCO)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000079394009 393718464 /nfs/dbraw/zinc/71/84/64/393718464.db2.gz CTDPVZTYXGLOQM-SFHVURJKSA-N 1 1 290.451 2.744 40 0 CFABMO CC(C)N(CCO)C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000079394009 393718466 /nfs/dbraw/zinc/71/84/66/393718466.db2.gz CTDPVZTYXGLOQM-SFHVURJKSA-N 1 1 290.451 2.744 40 0 CFABMO Nc1ccc[nH+]c1NCc1csc(C2CCC2)n1 ZINC000096528643 393838245 /nfs/dbraw/zinc/83/82/45/393838245.db2.gz VWEGAINBTUHRRR-UHFFFAOYSA-N 1 1 260.366 3.000 40 0 CFABMO CN1C(=O)CC[C@]12CCC[N@@H+](Cc1cccc(F)c1)CC2 ZINC000585100221 395099908 /nfs/dbraw/zinc/09/99/08/395099908.db2.gz IBBJLTQOXFDWFS-KRWDZBQOSA-N 1 1 290.382 2.803 40 0 CFABMO CCC(CC)C[N@H+]1CCC[C@@]2(CN(C(C)C)C2=O)C1 ZINC000585099271 395100200 /nfs/dbraw/zinc/10/02/00/395100200.db2.gz ACWZTYLRAFHHDA-INIZCTEOSA-N 1 1 266.429 2.755 40 0 CFABMO CC1(C)[C@@H]2CC[C@@H](C2)[C@@]1(C)NC(=O)C[NH2+]Cc1ccco1 ZINC000005000556 170052813 /nfs/dbraw/zinc/05/28/13/170052813.db2.gz IRTBVVMYGBERLO-IIYDPXPESA-N 1 1 290.407 2.700 40 0 CFABMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000008406962 170335252 /nfs/dbraw/zinc/33/52/52/170335252.db2.gz RNEQQIJSHKHNLC-KRWDZBQOSA-N 1 1 298.361 2.830 40 0 CFABMO COc1cc(C=O)ccc1OCC[N@H+]1CCCC[C@H]1C ZINC000009237626 170367966 /nfs/dbraw/zinc/36/79/66/170367966.db2.gz BVCFZEKIVNKCMA-CYBMUJFWSA-N 1 1 277.364 2.761 40 0 CFABMO COc1cccc(C=O)c1OCC[N@H+]1CCCC[C@H]1C ZINC000009261349 170369263 /nfs/dbraw/zinc/36/92/63/170369263.db2.gz XIWOLSYHNAJMDG-CYBMUJFWSA-N 1 1 277.364 2.761 40 0 CFABMO C[C@H]([NH3+])c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000020564238 171253218 /nfs/dbraw/zinc/25/32/18/171253218.db2.gz DJMRRLIZWMSNEN-LURJTMIESA-N 1 1 257.215 2.775 40 0 CFABMO c1c[nH]c(C[N@@H+]2CC[C@H](c3nc4ccccc4o3)C2)n1 ZINC000035446539 172203014 /nfs/dbraw/zinc/20/30/14/172203014.db2.gz UZCFXQOTKVZILQ-NSHDSACASA-N 1 1 268.320 2.540 40 0 biogenic,in-vitro CFABMO c1c[nH]c(C[N@H+]2CC[C@H](c3nc4ccccc4o3)C2)n1 ZINC000035446539 172203018 /nfs/dbraw/zinc/20/30/18/172203018.db2.gz UZCFXQOTKVZILQ-NSHDSACASA-N 1 1 268.320 2.540 40 0 biogenic,in-vitro CFABMO Clc1nccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000038579679 174147525 /nfs/dbraw/zinc/14/75/25/174147525.db2.gz PCPRHTBVUIMFTD-CYBMUJFWSA-N 1 1 288.782 2.816 40 0 CFABMO O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCCC1 ZINC000038832662 174157146 /nfs/dbraw/zinc/15/71/46/174157146.db2.gz YYSNZHMVXQDNNU-INIZCTEOSA-N 1 1 272.392 2.521 40 0 CFABMO CC[NH+]1CCN(C(=O)c2cc3ccccc3cc2OC)CC1 ZINC000044900122 175274578 /nfs/dbraw/zinc/27/45/78/175274578.db2.gz SYFLHRIAYHYNLC-UHFFFAOYSA-N 1 1 298.386 2.626 40 0 CFABMO COCC[N@H+]1CCC[C@@H]1c1ccnc(-c2ccccc2)n1 ZINC000072355796 176375176 /nfs/dbraw/zinc/37/51/76/176375176.db2.gz KVPMACSBIQTAFT-MRXNPFEDSA-N 1 1 283.375 2.927 40 0 CFABMO COc1cccc(-c2cnc([C@@H]3CCC[N@@H+](C)C3)cn2)c1 ZINC000072360687 176377171 /nfs/dbraw/zinc/37/71/71/176377171.db2.gz VTXOTHKUBAMTHS-CQSZACIVSA-N 1 1 283.375 2.961 40 0 CFABMO Cc1cc(NCc2ccccn2)nc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000072364717 176379479 /nfs/dbraw/zinc/37/94/79/176379479.db2.gz DDEZYYRSGIVHJX-CQSZACIVSA-N 1 1 297.406 2.601 40 0 CFABMO Cc1cc(NCc2cccnc2)nc(C2C[NH+](C(C)C)C2)n1 ZINC000072364750 176380052 /nfs/dbraw/zinc/38/00/52/176380052.db2.gz JUONZKMGNVUXJS-UHFFFAOYSA-N 1 1 297.406 2.600 40 0 CFABMO C[N@H+]1CCC[C@H](Cc2cnc(-c3ccc(CO)cc3)cn2)C1 ZINC000072365262 176380609 /nfs/dbraw/zinc/38/06/09/176380609.db2.gz GTQXTCIHWSGOOJ-OAHLLOKOSA-N 1 1 297.402 2.520 40 0 CFABMO Cc1cnc(Nc2nccnc2[C@@H]2CCC[N@H+](C)C2)s1 ZINC000072365545 176380812 /nfs/dbraw/zinc/38/08/12/176380812.db2.gz XPNKSKMQIZYVPZ-LLVKDONJSA-N 1 1 289.408 2.794 40 0 CFABMO CN(C)c1nccc([C@@H]2CCCC[N@@H+]2Cc2ccccn2)n1 ZINC000072385081 176389161 /nfs/dbraw/zinc/38/91/61/176389161.db2.gz OIHISKWBSZOJTD-INIZCTEOSA-N 1 1 297.406 2.665 40 0 CFABMO CN(C)c1nccc([C@@H]2CCCC[N@H+]2Cc2ccccn2)n1 ZINC000072385081 176389163 /nfs/dbraw/zinc/38/91/63/176389163.db2.gz OIHISKWBSZOJTD-INIZCTEOSA-N 1 1 297.406 2.665 40 0 CFABMO c1cnc([C@@H]2CCCC[N@H+]2Cc2ccncc2)cn1 ZINC000072385036 176389324 /nfs/dbraw/zinc/38/93/24/176389324.db2.gz RFSABEPDUYNFFK-HNNXBMFYSA-N 1 1 254.337 2.599 40 0 CFABMO c1cnc([C@@H]2CCCC[N@@H+]2Cc2ccncc2)cn1 ZINC000072385036 176389325 /nfs/dbraw/zinc/38/93/25/176389325.db2.gz RFSABEPDUYNFFK-HNNXBMFYSA-N 1 1 254.337 2.599 40 0 CFABMO CCOc1ncnc2c1CC[N@@H+](Cc1ccsc1)CC2 ZINC000096058757 276386367 /nfs/dbraw/zinc/38/63/67/276386367.db2.gz LCPHDLIZLMWVAC-UHFFFAOYSA-N 1 1 289.404 2.538 40 0 CFABMO C[N@H+]1CCc2cc3c(c4c2[C@@H]1CC41CCC(=O)CC1)OCO3 ZINC000004610555 277187466 /nfs/dbraw/zinc/18/74/66/277187466.db2.gz PNRVHNMGNLQXPN-ZDUSSCGKSA-N 1 1 299.370 2.729 40 0 biogenic,in-vitro CFABMO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000038979051 277204350 /nfs/dbraw/zinc/20/43/50/277204350.db2.gz OWXMMRQDSKAHST-LBPRGKRZSA-N 1 1 268.401 2.918 40 0 CFABMO CC(C)C[NH+](CC(=O)NC(=O)c1ccccc1)CC(C)C ZINC000001713441 277375922 /nfs/dbraw/zinc/37/59/22/277375922.db2.gz BLEIQCGHUMTOCD-UHFFFAOYSA-N 1 1 290.407 2.557 40 0 CFABMO COc1cc(C)c(C(=O)N2CC[NH+](C)CC2)cc1C(C)C ZINC000074948324 277803114 /nfs/dbraw/zinc/80/31/14/277803114.db2.gz XMCIXSCGVUJKLC-UHFFFAOYSA-N 1 1 290.407 2.515 40 0 CFABMO CC(C)[C@@H](c1nnnn1C1CCCC1)[NH+]1CCCCC1 ZINC000004190518 279931865 /nfs/dbraw/zinc/93/18/65/279931865.db2.gz GBVYLWLMDOIAAF-AWEZNQCLSA-N 1 1 277.416 2.971 40 0 CFABMO COC[N@@H+](Cc1ccc(OC)cc1)C[Si](C)(C)C ZINC000197882410 522157352 /nfs/dbraw/zinc/15/73/52/522157352.db2.gz MYMIAGKKDMXTGP-UHFFFAOYSA-N 1 1 267.445 2.979 40 0 CFABMO [NH3+][C@@H](c1nnc(-c2ccc(F)cc2)[nH]1)c1ccccc1 ZINC000095533375 185006469 /nfs/dbraw/zinc/00/64/69/185006469.db2.gz CBXATTFVSUQOHV-CYBMUJFWSA-N 1 1 268.295 2.659 40 0 CFABMO COc1ccc([C@@H]([NH3+])c2nnc(-c3ccc(F)cc3)[nH]2)cc1 ZINC000095533641 185006677 /nfs/dbraw/zinc/00/66/77/185006677.db2.gz RZBAHBOEMJGCNS-CQSZACIVSA-N 1 1 298.321 2.668 40 0 CFABMO COC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000096056718 185077458 /nfs/dbraw/zinc/07/74/58/185077458.db2.gz SNXMDLDSVAGHFS-DLBZAZTESA-N 1 1 293.382 2.843 40 0 CFABMO O=C1C[C@@H]2[C@H](CC[N@H+]2Cc2cccnc2)N1c1ccsc1 ZINC000096055733 185076735 /nfs/dbraw/zinc/07/67/35/185076735.db2.gz PXSNPKIOXWHSLK-LSDHHAIUSA-N 1 1 299.399 2.523 40 0 CFABMO COc1ccc(C[N@@H+]2CCN(C)c3ncccc3C2)cc1 ZINC000096060908 185082270 /nfs/dbraw/zinc/08/22/70/185082270.db2.gz HIPWFRROOMSLAK-UHFFFAOYSA-N 1 1 283.375 2.542 40 0 CFABMO COc1ccc(C[N@H+]2CCN(C)c3ncccc3C2)cc1 ZINC000096060908 185082272 /nfs/dbraw/zinc/08/22/72/185082272.db2.gz HIPWFRROOMSLAK-UHFFFAOYSA-N 1 1 283.375 2.542 40 0 CFABMO CC(C)C(=O)N1CCC2(C[NH+](Cc3ccc(F)cc3)C2)C1 ZINC000096070907 185086929 /nfs/dbraw/zinc/08/69/29/185086929.db2.gz NYYKNMIAHFLDJS-UHFFFAOYSA-N 1 1 290.382 2.516 40 0 CFABMO CC(C)c1ccc(CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000025767440 346261935 /nfs/dbraw/zinc/26/19/35/346261935.db2.gz RACKBWGENWDUSN-UHFFFAOYSA-N 1 1 274.408 2.517 40 0 CFABMO Cc1cc2cc(Br)ccc2[nH+]c1N(C)N ZINC000199546559 539538587 /nfs/dbraw/zinc/53/85/87/539538587.db2.gz NGCKQMRIIKOJLF-UHFFFAOYSA-N 1 1 266.142 2.616 40 0 CFABMO CCC[C@H](C(=O)c1ccc(O)c(OC)c1)[NH+]1CCCC1 ZINC000096032836 347700559 /nfs/dbraw/zinc/70/05/59/347700559.db2.gz LGTMQHOZRKNUTB-CYBMUJFWSA-N 1 1 277.364 2.848 40 0 in-vitro CFABMO CC(C)[N@H+](Cc1ccccc1)[C@@H]1CCCC[C@H]1NCCO ZINC000101674343 347716012 /nfs/dbraw/zinc/71/60/12/347716012.db2.gz STFFLKBXHRZMAC-QZTJIDSGSA-N 1 1 290.451 2.790 40 0 CFABMO CC(C)[N@@H+](Cc1ccccc1)[C@@H]1CCCC[C@H]1NCCO ZINC000101674343 347716014 /nfs/dbraw/zinc/71/60/14/347716014.db2.gz STFFLKBXHRZMAC-QZTJIDSGSA-N 1 1 290.451 2.790 40 0 CFABMO Cc1nc(N)cc(NCc2ccc(Br)cc2)[nH+]1 ZINC000127349329 347841083 /nfs/dbraw/zinc/84/10/83/347841083.db2.gz XQOPRODKIIEEAT-UHFFFAOYSA-N 1 1 293.168 2.742 40 0 CFABMO CC(C)[N@H+]1CCC[C@@H](Cc2ccc(Cl)nn2)C1 ZINC000259564460 348308697 /nfs/dbraw/zinc/30/86/97/348308697.db2.gz WTPDJVQYOUNOPY-NSHDSACASA-N 1 1 253.777 2.793 40 0 CFABMO CO[C@H]1C[N@@H+](Cc2c[nH]nc2C)CC[C@@H]1Cc1ccccc1 ZINC000585279428 348738941 /nfs/dbraw/zinc/73/89/41/348738941.db2.gz MDDDGYJCJUQLJH-AEFFLSMTSA-N 1 1 299.418 2.798 40 0 CFABMO CCOC[C@H]1CC[N@@H+](C)C2(CN(Cc3cccs3)C2)C1 ZINC000585103308 348734339 /nfs/dbraw/zinc/73/43/39/348734339.db2.gz UKMPVSFHSNBBMM-AWEZNQCLSA-N 1 1 294.464 2.681 40 0 CFABMO CNC(=O)[C@@H]1CCC[C@@]12CC[N@@H+](Cc1ccccc1F)C2 ZINC000108535631 186221856 /nfs/dbraw/zinc/22/18/56/186221856.db2.gz CRHJRCCHXPVQGF-YOEHRIQHSA-N 1 1 290.382 2.564 40 0 CFABMO CC(=O)O[C@H]1CC[N@H+](CCc2ccccc2)[C@H](C)[C@@H]1C ZINC000001080751 371661986 /nfs/dbraw/zinc/66/19/86/371661986.db2.gz YNNDIBSJMPQCKB-VBQJREDUSA-N 1 1 275.392 2.891 40 0 CFABMO COC(C(=O)C[NH+](C)C)(c1ccccc1)c1ccccc1 ZINC000001590822 371684967 /nfs/dbraw/zinc/68/49/67/371684967.db2.gz URIFKWANSQTROK-UHFFFAOYSA-N 1 1 283.371 2.707 40 0 CFABMO O=Cc1ccc(OC[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1O ZINC000013425087 372025956 /nfs/dbraw/zinc/02/59/56/372025956.db2.gz ZHLARUGYDIKKSN-ZBFHGGJFSA-N 1 1 289.375 2.848 40 0 CFABMO OCC[N@@H+](CCc1ccccc1)Cc1cccs1 ZINC000013997385 372056539 /nfs/dbraw/zinc/05/65/39/372056539.db2.gz IHLIFAOCXSALEK-UHFFFAOYSA-N 1 1 261.390 2.785 40 0 CFABMO CCn1nc(C)c(C[N@H+]2CCC[C@H](c3cnccn3)C2)c1C ZINC000019523831 372174619 /nfs/dbraw/zinc/17/46/19/372174619.db2.gz JPTODEVEJYTLKZ-HNNXBMFYSA-N 1 1 299.422 2.689 40 0 CFABMO COc1ccc(F)c(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000019575732 372175702 /nfs/dbraw/zinc/17/57/02/372175702.db2.gz LOBHCSUIXCUREU-JSGCOSHPSA-N 1 1 278.371 2.503 40 0 CFABMO Cc1nc2cc(NC(=O)[C@@H](C)Cn3cc[nH+]c3C)ccc2[nH]1 ZINC000019576735 372176132 /nfs/dbraw/zinc/17/61/32/372176132.db2.gz JGLLDYJNBHWLQV-JTQLQIEISA-N 1 1 297.362 2.651 40 0 CFABMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cc(F)cc(F)c1 ZINC000019575718 372176304 /nfs/dbraw/zinc/17/63/04/372176304.db2.gz HMGJVSIRRKXLRA-NHYWBVRUSA-N 1 1 266.335 2.633 40 0 CFABMO C[C@@H](CN1C[C@@H]2CCC[N@H+]2C[C@@H]1C)c1ccccc1 ZINC000019575692 372176949 /nfs/dbraw/zinc/17/69/49/372176949.db2.gz DARBCOQPEQLZDT-ZOBUZTSGSA-N 1 1 258.409 2.959 40 0 CFABMO C[C@@H](C[N@@H+]1C[C@@H]2CCCN2C[C@@H]1C)c1ccccc1 ZINC000019575692 372176954 /nfs/dbraw/zinc/17/69/54/372176954.db2.gz DARBCOQPEQLZDT-ZOBUZTSGSA-N 1 1 258.409 2.959 40 0 CFABMO C[C@@H](C[N@H+]1C[C@@H]2CCCN2C[C@@H]1C)c1ccccc1 ZINC000019575692 372176958 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298.394 2.803 40 0 CFABMO Fc1ccccc1C[N@H+]1CCC[C@@H](c2cnccn2)C1 ZINC000072384963 176389010 /nfs/dbraw/zinc/38/90/10/176389010.db2.gz GISZCPCZLGOGTB-CQSZACIVSA-N 1 1 271.339 2.995 40 0 CFABMO c1csc(C[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000072385049 176389554 /nfs/dbraw/zinc/38/95/54/176389554.db2.gz VPMKXDBGTNYNMV-ZDUSSCGKSA-N 1 1 273.405 2.993 40 0 CFABMO c1cncc(C[C@H]2CCC[N@H+](C3CCOCC3)C2)c1 ZINC000072385945 176391138 /nfs/dbraw/zinc/39/11/38/176391138.db2.gz XLBHDBMHFRPABG-OAHLLOKOSA-N 1 1 260.381 2.515 40 0 CFABMO C[N@H+]1CCC[C@H]1c1ccnc(Nc2ccccn2)c1 ZINC000072386488 176391806 /nfs/dbraw/zinc/39/18/06/176391806.db2.gz GEWFHJHWPBCSHZ-ZDUSSCGKSA-N 1 1 254.337 2.987 40 0 CFABMO S=c1ncc2c([nH]1)CC[N@H+](Cc1ccccc1)C2 ZINC000072415048 176399836 /nfs/dbraw/zinc/39/98/36/176399836.db2.gz UQPJIBSCYICCQL-UHFFFAOYSA-N 1 1 257.362 2.697 40 0 CFABMO C[N@H+]1CCC[C@@H](C(=O)NCCSC2CCCCC2)C1 ZINC000078578527 177356248 /nfs/dbraw/zinc/35/62/48/177356248.db2.gz NADSEXWCSVZDFB-CYBMUJFWSA-N 1 1 284.469 2.510 40 0 CFABMO CCCNc1ncc(C[NH2+]Cc2ccccc2OC)cn1 ZINC000062717717 262302452 /nfs/dbraw/zinc/30/24/52/262302452.db2.gz HMVJNJVEWGKPDA-UHFFFAOYSA-N 1 1 286.379 2.597 40 0 CFABMO O=C1N(CC2CC2)c2ccccc2[C@@]12CC[N@@H+](CC1CC1)C2 ZINC000096100338 275021414 /nfs/dbraw/zinc/02/14/14/275021414.db2.gz CLOHBQFLAQSWHV-IBGZPJMESA-N 1 1 296.414 2.797 40 0 CFABMO c1ncc(C[NH+]2CCC3(C[C@H](c4ccccc4)CO3)CC2)[nH]1 ZINC000096089761 275076942 /nfs/dbraw/zinc/07/69/42/275076942.db2.gz NVITVIHPGSVTCW-INIZCTEOSA-N 1 1 297.402 2.948 40 0 CFABMO CCNc1nc(N2Cc3ccccc3C(C)(C)C2)cc[nH+]1 ZINC000329039197 276255391 /nfs/dbraw/zinc/25/53/91/276255391.db2.gz RXGCFOZQONZVMQ-UHFFFAOYSA-N 1 1 282.391 2.628 40 0 CFABMO Cc1ccc[nH+]c1N1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000022115521 278971989 /nfs/dbraw/zinc/97/19/89/278971989.db2.gz QHKLWSXPWFRVRQ-UHFFFAOYSA-N 1 1 291.395 2.837 40 0 CFABMO C[C@H]1[C@H](c2ccccc2)O[C@@](O)(c2ccccc2)C[N@@H+]1C ZINC000015083182 280120643 /nfs/dbraw/zinc/12/06/43/280120643.db2.gz RSAYNUAYZYEOSA-BMGDILEWSA-N 1 1 283.371 2.924 40 0 CFABMO C[C@H]1[C@H](c2ccccc2)O[C@@](O)(c2ccccc2)C[N@H+]1C ZINC000015083182 280120645 /nfs/dbraw/zinc/12/06/45/280120645.db2.gz RSAYNUAYZYEOSA-BMGDILEWSA-N 1 1 283.371 2.924 40 0 CFABMO COc1ccccc1-c1nccnc1[C@H]1CCC[N@@H+](C)C1 ZINC000072358364 295344789 /nfs/dbraw/zinc/34/47/89/295344789.db2.gz HWOMGZYOEPKVLI-ZDUSSCGKSA-N 1 1 283.375 2.961 40 0 CFABMO Cc1ccc([C@H]([NH3+])c2nc(-c3cccs3)n[nH]2)cc1 ZINC000095534154 185006305 /nfs/dbraw/zinc/00/63/05/185006305.db2.gz SGTJXESITHPZSF-LBPRGKRZSA-N 1 1 270.361 2.890 40 0 CFABMO [NH3+][C@H](c1nc(-c2cccs2)n[nH]1)c1ccc(F)cc1 ZINC000095533321 185006928 /nfs/dbraw/zinc/00/69/28/185006928.db2.gz JJWAATPJQGBLNX-NSHDSACASA-N 1 1 274.324 2.720 40 0 CFABMO Cc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N3)CC2)s1 ZINC000096047448 185072734 /nfs/dbraw/zinc/07/27/34/185072734.db2.gz TWWBFMKWGQFZNH-OAHLLOKOSA-N 1 1 278.421 2.691 40 0 CFABMO C[N@H+]1CCCCC12CCN(Cc1nccs1)CC2 ZINC000096051194 185074520 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ZINC000004214631 285334460 /nfs/dbraw/zinc/33/44/60/285334460.db2.gz KOIGYXJOGRVNIS-XZJROXQQSA-N 1 1 268.360 2.845 40 0 in-man CFABMO CCCCCC[N@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000005203234 393461141 /nfs/dbraw/zinc/46/11/41/393461141.db2.gz LIDIEESTMCMGMQ-CYBMUJFWSA-N 1 1 256.390 2.729 40 0 CFABMO CCOC(=O)[C@@H]([NH3+])C1(Nc2ccccc2)CCCCC1 ZINC000072210564 393643548 /nfs/dbraw/zinc/64/35/48/393643548.db2.gz JIZOZWJHDBQORV-CQSZACIVSA-N 1 1 276.380 2.692 40 0 CFABMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCOCC2)nc1 ZINC000072216180 393645110 /nfs/dbraw/zinc/64/51/10/393645110.db2.gz JWYMRMPQLBZNJU-MRXNPFEDSA-N 1 1 289.423 2.855 40 0 CFABMO [NH3+][C@H]1C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1Cl ZINC000072227233 393647006 /nfs/dbraw/zinc/64/70/06/393647006.db2.gz GRSSHRTUTBNXNL-KGLIPLIRSA-N 1 1 290.725 2.894 40 0 CFABMO [NH3+][C@@H]1C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000072227239 393647336 /nfs/dbraw/zinc/64/73/36/393647336.db2.gz PFHHMWVHICKURW-KBPBESRZSA-N 1 1 290.725 2.894 40 0 CFABMO CCc1ccc(N2C(=O)[C@H]([NH3+])[C@@H]2c2ccc(OC)cc2)cc1 ZINC000072228005 393648549 /nfs/dbraw/zinc/64/85/49/393648549.db2.gz CFNVMOXSQPVBGM-SJORKVTESA-N 1 1 296.370 2.673 40 0 CFABMO [NH3+][C@H]1C(=O)N(c2cccc(F)c2)[C@@H]1c1ccccc1Cl ZINC000072227636 393648937 /nfs/dbraw/zinc/64/89/37/393648937.db2.gz IUPWLSVKKDFIFC-ZIAGYGMSSA-N 1 1 290.725 2.894 40 0 CFABMO CCn1ncc2c1[C@H](COC)C[N@H+](Cc1cccs1)C2 ZINC000096060133 393815872 /nfs/dbraw/zinc/81/58/72/393815872.db2.gz KPRMHBHZBDVTRL-ZDUSSCGKSA-N 1 1 291.420 2.710 40 0 CFABMO CCn1ncc2c1[C@H](COC)C[N@@H+](Cc1cccs1)C2 ZINC000096060133 393815875 /nfs/dbraw/zinc/81/58/75/393815875.db2.gz KPRMHBHZBDVTRL-ZDUSSCGKSA-N 1 1 291.420 2.710 40 0 CFABMO O[C@H]1C[N@H+]2CC[C@@H]1C/C2=C\c1ccnc2ccccc12 ZINC000004963784 170046006 /nfs/dbraw/zinc/04/60/06/170046006.db2.gz YHQXMUZXDKRFTL-UHEBOXKZSA-N 1 1 266.344 2.662 40 0 CFABMO CCCC[NH+](CCCC)C[C@@H](O)CN(CC)CC ZINC000005551836 170112585 /nfs/dbraw/zinc/11/25/85/170112585.db2.gz MOXDFIJXNYLJIX-HNNXBMFYSA-N 1 1 258.450 2.591 40 0 CFABMO O=C([C@H]1C[C@H]2CC[C@@H]1C2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020470452 171212089 /nfs/dbraw/zinc/21/20/89/171212089.db2.gz KIPYJNUXPGSPLR-KSZLIROESA-N 1 1 298.430 2.767 40 0 CFABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NC3CC3)cc2)C1 ZINC000038772590 174154836 /nfs/dbraw/zinc/15/48/36/174154836.db2.gz BQVZVXPPRZUGLR-ZDUSSCGKSA-N 1 1 272.392 2.811 40 0 CFABMO O=C(NCc1ccco1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038849016 174157839 /nfs/dbraw/zinc/15/78/39/174157839.db2.gz RMTPFTMJDLLYBO-MRXNPFEDSA-N 1 1 298.386 2.808 40 0 CFABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCc2ccco2)cc1 ZINC000038849051 174158281 /nfs/dbraw/zinc/15/82/81/174158281.db2.gz HDGIXOVZCPPAIP-UHFFFAOYSA-N 1 1 295.342 2.763 40 0 CFABMO Cc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)s1 ZINC000072324646 176369734 /nfs/dbraw/zinc/36/97/34/176369734.db2.gz PBPRGBZWHZTRBD-YPMHNXCESA-N 1 1 250.411 2.725 40 0 CFABMO Cc1ccccc1-c1cccc(C[C@@H]2[NH2+]CCN(C)C2=O)c1 ZINC000072352886 176374048 /nfs/dbraw/zinc/37/40/48/176374048.db2.gz 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ZINC000072387608 176392626 /nfs/dbraw/zinc/39/26/26/176392626.db2.gz SGOHMJSTVPQCLJ-MRXNPFEDSA-N 1 1 298.390 2.653 40 0 CFABMO CN(C)c1ccc(-c2[nH+]c3ccccn3c2N)cc1 ZINC000004772101 276881239 /nfs/dbraw/zinc/88/12/39/276881239.db2.gz CLBZKXOAXKYXRU-UHFFFAOYSA-N 1 1 252.321 2.650 40 0 CFABMO Cc1cc(N)nc([C@]2(C)CCC[N@H+]2C2CCCC2)n1 ZINC000072388357 301330620 /nfs/dbraw/zinc/33/06/20/301330620.db2.gz DTYKTJMZDBJTMT-HNNXBMFYSA-N 1 1 260.385 2.621 40 0 CFABMO CC(C)n1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)n1 ZINC000096444353 528595189 /nfs/dbraw/zinc/59/51/89/528595189.db2.gz SVPHSOMHFYHSLV-SJORKVTESA-N 1 1 290.455 2.911 40 0 CFABMO Cc1ccc([C@H]([NH3+])c2nnc(-c3cccc(F)c3)[nH]2)cc1 ZINC000095534172 185006000 /nfs/dbraw/zinc/00/60/00/185006000.db2.gz BEDGFQNSIBRVNL-AWEZNQCLSA-N 1 1 282.322 2.967 40 0 CFABMO Cc1ccc([C@H]([NH3+])c2nc(-c3ccccc3O)n[nH]2)cc1 ZINC000095534080 185006605 /nfs/dbraw/zinc/00/66/05/185006605.db2.gz QAEYGASZMUYEGM-AWEZNQCLSA-N 1 1 280.331 2.534 40 0 CFABMO CC(C)Cc1nnc([C@@H]([NH3+])c2ccc(Cl)cc2)[nH]1 ZINC000095534033 185007007 /nfs/dbraw/zinc/00/70/07/185007007.db2.gz SOHIIGKYDAUUPC-LBPRGKRZSA-N 1 1 264.760 2.705 40 0 CFABMO COc1ccc([C@@H]([NH3+])c2nnc(-c3cccc(C)c3)[nH]2)cc1 ZINC000095533744 185007331 /nfs/dbraw/zinc/00/73/31/185007331.db2.gz KKCVWAOMNFGHJB-OAHLLOKOSA-N 1 1 294.358 2.837 40 0 CFABMO COc1ccc([C@H]([NH3+])c2nnc(-c3ccccc3C)[nH]2)cc1 ZINC000095533717 185007421 /nfs/dbraw/zinc/00/74/21/185007421.db2.gz DVSIIOQRXVUXMO-HNNXBMFYSA-N 1 1 294.358 2.837 40 0 CFABMO [NH3+][C@@H](Cc1ccccc1)c1nc(-c2ccc(F)cc2)n[nH]1 ZINC000095534818 185008558 /nfs/dbraw/zinc/00/85/58/185008558.db2.gz XFMIYJLMQSWBML-AWEZNQCLSA-N 1 1 282.322 2.853 40 0 CFABMO Cc1cccc(CN2CC[C@@]3(CC[N@@H+](CC4CC4)C3)C2=O)c1 ZINC000096050598 185074530 /nfs/dbraw/zinc/07/45/30/185074530.db2.gz APNMDVSXTJHSTC-LJQANCHMSA-N 1 1 298.430 2.829 40 0 CFABMO c1coc(C[N@@H+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c1 ZINC000096055834 185075373 /nfs/dbraw/zinc/07/53/73/185075373.db2.gz 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ZINC000096060136 185081757 /nfs/dbraw/zinc/08/17/57/185081757.db2.gz PRNNXFWFDJSKSD-CQSZACIVSA-N 1 1 291.420 2.710 40 0 CFABMO O=C1C[C@@H]2[C@H](CC[N@H+]2Cc2ccco2)N1c1ccsc1 ZINC000096110719 185100573 /nfs/dbraw/zinc/10/05/73/185100573.db2.gz LGDRNMAQTVMAGX-UONOGXRCSA-N 1 1 288.372 2.721 40 0 CFABMO COc1ccc(C[C@H]2C[N@H+](CC3CC3)CC[C@@H]2OC)cc1 ZINC000096110580 185101103 /nfs/dbraw/zinc/10/11/03/185101103.db2.gz ZDQRJOPMOKZNJB-WMZOPIPTSA-N 1 1 289.419 2.985 40 0 CFABMO Fc1ccc2nc(CNCC[NH+]3CCCC3)ccc2c1 ZINC000096836640 185115845 /nfs/dbraw/zinc/11/58/45/185115845.db2.gz POZDJNYLPZBQSU-UHFFFAOYSA-N 1 1 273.355 2.559 40 0 CFABMO c1cc2n(n1)[C@H](COc1ccccn1)C[N@@H+](C1CCCC1)C2 ZINC000585111891 348734156 /nfs/dbraw/zinc/73/41/56/348734156.db2.gz IMEKTDINAPLZCJ-INIZCTEOSA-N 1 1 298.390 2.656 40 0 CFABMO c1cc2n(n1)[C@H](COc1ccccn1)C[N@H+](C1CCCC1)C2 ZINC000585111891 348734158 /nfs/dbraw/zinc/73/41/58/348734158.db2.gz IMEKTDINAPLZCJ-INIZCTEOSA-N 1 1 298.390 2.656 40 0 CFABMO c1cnc(N2CC[C@H]3[C@H](C[N@@H+]3CC3CCCCC3)C2)nc1 ZINC000585107990 348734349 /nfs/dbraw/zinc/73/43/49/348734349.db2.gz QKXAMHGROVEQJB-HOTGVXAUSA-N 1 1 286.423 2.567 40 0 CFABMO CC1CC(C(=O)N2CCC3(CCCC[N@H+]3C)CC2)C1 ZINC000585102464 348734498 /nfs/dbraw/zinc/73/44/98/348734498.db2.gz UCHFRPWHZDZJAO-UHFFFAOYSA-N 1 1 264.413 2.509 40 0 CFABMO Cc1ccc(C(=O)N2CCC[C@]3(CC[N@@H+]3C)C2)c(C)c1 ZINC000585102376 348734690 /nfs/dbraw/zinc/73/46/90/348734690.db2.gz YPRZPJTVLCJTST-KRWDZBQOSA-N 1 1 272.392 2.614 40 0 CFABMO C[N@H+]1CCCC[C@H](CNC(=O)NC[C@@H]2CCC[C@@H](F)C2)C1 ZINC000685939057 539988434 /nfs/dbraw/zinc/98/84/34/539988434.db2.gz BXMBZPLOZWNGCA-RBSFLKMASA-N 1 1 299.434 2.546 40 0 CFABMO NC(=O)c1cnc([C@H]2CCCC[N@@H+]2C2CCCC2)s1 ZINC000257202270 540073488 /nfs/dbraw/zinc/07/34/88/540073488.db2.gz ALCVBUUKWBXHMT-LLVKDONJSA-N 1 1 279.409 2.712 40 0 CFABMO NC(=O)c1cnc([C@H]2CCCC[N@H+]2C2CCCC2)s1 ZINC000257202270 540073492 /nfs/dbraw/zinc/07/34/92/540073492.db2.gz ALCVBUUKWBXHMT-LLVKDONJSA-N 1 1 279.409 2.712 40 0 CFABMO OC[C@@H]1CC[N@H+]1C(c1ccccc1)c1ccccc1 ZINC000001756999 371706852 /nfs/dbraw/zinc/70/68/52/371706852.db2.gz ZQFMLZHAZJYUOD-INIZCTEOSA-N 1 1 253.345 2.843 40 0 CFABMO CN1CCN(c2c3ccccc3[nH+]c3c2CCCC3)CC1 ZINC000001699154 371698734 /nfs/dbraw/zinc/69/87/34/371698734.db2.gz BHDKLGMXJCGESI-UHFFFAOYSA-N 1 1 281.403 2.865 40 0 CFABMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1O ZINC000013424959 372026653 /nfs/dbraw/zinc/02/66/53/372026653.db2.gz FPBZOZUALKCMGP-ZFWWWQNUSA-N 1 1 289.375 2.814 40 0 CFABMO COCc1ccc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)o1 ZINC000013568223 372034475 /nfs/dbraw/zinc/03/44/75/372034475.db2.gz VNYDKHHKVGBFDB-CZUORRHYSA-N 1 1 279.380 2.553 40 0 CFABMO Brc1cc(C[NH+]2CCCCC2)ccn1 ZINC000016697097 372118203 /nfs/dbraw/zinc/11/82/03/372118203.db2.gz ZTUBSWOWTOUXJJ-UHFFFAOYSA-N 1 1 255.159 2.830 40 0 CFABMO Cc1cccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3CC3CC3)n2)c1 ZINC000015674414 372089495 /nfs/dbraw/zinc/08/94/95/372089495.db2.gz AOXDUVDIPPZGGB-CABCVRRESA-N 1 1 299.374 2.563 40 0 biogenic,in-vitro CFABMO Cc1cccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3C(C)C)n2)c1 ZINC000015674402 372090196 /nfs/dbraw/zinc/09/01/96/372090196.db2.gz SOHGLTFRTGJLEC-KGLIPLIRSA-N 1 1 287.363 2.561 40 0 biogenic,in-vitro CFABMO CC(C)(C)c1noc([C@H]2CC[N@@H+](Cc3cccnc3)C2)n1 ZINC000019084663 372147794 /nfs/dbraw/zinc/14/77/94/372147794.db2.gz ZLFWAVBSZVBQDP-ZDUSSCGKSA-N 1 1 286.379 2.752 40 0 CFABMO c1coc(-c2[nH]c3ncccc3c2C[NH+]2CCOCC2)c1 ZINC000019345221 372156721 /nfs/dbraw/zinc/15/67/21/372156721.db2.gz ILNDYDNQOJGQGG-UHFFFAOYSA-N 1 1 283.331 2.655 40 0 CFABMO C[C@H]1CCC[N@@H+](Cc2ccnc(-c3cccnc3)n2)C1 ZINC000019496573 372168206 /nfs/dbraw/zinc/16/82/06/372168206.db2.gz ZPWSVYDCLXMRRH-ZDUSSCGKSA-N 1 1 268.364 2.771 40 0 CFABMO Cc1nc2cc(NC(=O)[C@H](C)Cn3cc[nH+]c3C)ccc2[nH]1 ZINC000019576737 372176560 /nfs/dbraw/zinc/17/65/60/372176560.db2.gz JGLLDYJNBHWLQV-SNVBAGLBSA-N 1 1 297.362 2.651 40 0 CFABMO CCC(CC)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020027099 372219589 /nfs/dbraw/zinc/21/95/89/372219589.db2.gz PMJDSLYEMFAWSD-UHFFFAOYSA-N 1 1 274.408 2.767 40 0 CFABMO [NH3+]CC1CCN(Cc2cccc(Br)c2)CC1 ZINC000019843456 372197997 /nfs/dbraw/zinc/19/79/97/372197997.db2.gz HQILJWOXVJAMLR-UHFFFAOYSA-N 1 1 283.213 2.620 40 0 CFABMO CN(Cc1ccc(Cl)cc1)C[C@H]1CCC[NH2+]C1 ZINC000042439387 372923890 /nfs/dbraw/zinc/92/38/90/372923890.db2.gz PISFTNFEMIPLBF-ZDUSSCGKSA-N 1 1 252.789 2.771 40 0 CFABMO CC(C)CC[N@H+]1CC[C@H](c2nnc(-c3ccncc3)o2)C1 ZINC000049169587 373273017 /nfs/dbraw/zinc/27/30/17/373273017.db2.gz FRXPXTQWMWHWAD-AWEZNQCLSA-N 1 1 286.379 2.967 40 0 biogenic,in-vitro CFABMO C[N@H+]1CC[C@H](c2nnc(Cc3c[nH]c4ccccc34)o2)C1 ZINC000049169752 373273106 /nfs/dbraw/zinc/27/31/06/373273106.db2.gz OSTSSIVHAKPLAD-NSHDSACASA-N 1 1 282.347 2.561 40 0 biogenic,in-vitro CFABMO CC(C)[N@@H+](CCO)Cc1ccccc1Br ZINC000049826151 373318758 /nfs/dbraw/zinc/31/87/58/373318758.db2.gz JVYBMSOQYQPDCA-UHFFFAOYSA-N 1 1 272.186 2.652 40 0 CFABMO Fc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)CCN2)cc1 ZINC000056894873 373573459 /nfs/dbraw/zinc/57/34/59/373573459.db2.gz SMWIICFQVYKFRT-KRWDZBQOSA-N 1 1 270.351 2.972 40 0 CFABMO Fc1ccc([C@@H]2CN(Cc3ccccc3)CC[NH2+]2)cc1 ZINC000056894873 373573463 /nfs/dbraw/zinc/57/34/63/373573463.db2.gz SMWIICFQVYKFRT-KRWDZBQOSA-N 1 1 270.351 2.972 40 0 CFABMO C[C@@H]1CCC[N@@H+](CCCNC(=O)NC2CCCCC2)C1 ZINC000060894506 373706195 /nfs/dbraw/zinc/70/61/95/373706195.db2.gz YQQOOXGHECOKRS-CQSZACIVSA-N 1 1 281.444 2.740 40 0 CFABMO CC(C)[N@@H+](CCO)C[C@H]1CCCCN1Cc1ccccc1 ZINC000079394011 374607442 /nfs/dbraw/zinc/60/74/42/374607442.db2.gz CTDPVZTYXGLOQM-GOSISDBHSA-N 1 1 290.451 2.744 40 0 CFABMO CC(C)N(CCO)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000079394011 374607447 /nfs/dbraw/zinc/60/74/47/374607447.db2.gz CTDPVZTYXGLOQM-GOSISDBHSA-N 1 1 290.451 2.744 40 0 CFABMO CC(C)N(CCO)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000079394011 374607454 /nfs/dbraw/zinc/60/74/54/374607454.db2.gz CTDPVZTYXGLOQM-GOSISDBHSA-N 1 1 290.451 2.744 40 0 CFABMO CC(C)[N@H+](Cc1ccccc1)[C@@H]1CCCC[C@@H]1NCCO ZINC000079414332 374610324 /nfs/dbraw/zinc/61/03/24/374610324.db2.gz STFFLKBXHRZMAC-ZWKOTPCHSA-N 1 1 290.451 2.790 40 0 CFABMO CC(C)[N@@H+](Cc1ccccc1)[C@@H]1CCCC[C@@H]1NCCO ZINC000079414332 374610331 /nfs/dbraw/zinc/61/03/31/374610331.db2.gz STFFLKBXHRZMAC-ZWKOTPCHSA-N 1 1 290.451 2.790 40 0 CFABMO C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1nccs1 ZINC000079438523 374612592 /nfs/dbraw/zinc/61/25/92/374612592.db2.gz VCUOTRDUUFDWEQ-GHMZBOCLSA-N 1 1 297.424 2.803 40 0 CFABMO CC(C)C[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)c1cccs1 ZINC000096184295 375475734 /nfs/dbraw/zinc/47/57/34/375475734.db2.gz CFOJRPVUWKYOCB-QWHCGFSZSA-N 1 1 278.421 2.693 40 0 CFABMO c1cc(C[N@@H+]2C[C@@H]3COC[C@]3(COCC3CCC3)C2)co1 ZINC000096209398 375476866 /nfs/dbraw/zinc/47/68/66/375476866.db2.gz VKLGIQJYXQZTQQ-IAGOWNOFSA-N 1 1 291.391 2.545 40 0 CFABMO COCC[N@H+]1CCC[C@]12CCCN(Cc1ccc(C)o1)C2 ZINC000096203222 375477194 /nfs/dbraw/zinc/47/71/94/375477194.db2.gz FEHYIHOEKAXMNY-KRWDZBQOSA-N 1 1 292.423 2.665 40 0 CFABMO CCO[C@H]1CC[N@@H+](Cc2cnn(C)c2)[C@H]1Cc1ccccc1 ZINC000096200394 375477680 /nfs/dbraw/zinc/47/76/80/375477680.db2.gz UIXJEDHFEHPISR-ROUUACIJSA-N 1 1 299.418 2.642 40 0 CFABMO CCO[C@@H]1CC[N@@H+](Cc2ccc(C)s2)[C@H]2CCO[C@@H]21 ZINC000096218594 375479069 /nfs/dbraw/zinc/47/90/69/375479069.db2.gz JSLMFMWURCDCNS-ZNMIVQPWSA-N 1 1 281.421 2.825 40 0 CFABMO COc1cccc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000096268570 375483448 /nfs/dbraw/zinc/48/34/48/375483448.db2.gz XAGFZMNLSNXKAI-KRWDZBQOSA-N 1 1 274.408 2.613 40 0 CFABMO COc1cccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C)C3)c1 ZINC000096268570 375483464 /nfs/dbraw/zinc/48/34/64/375483464.db2.gz XAGFZMNLSNXKAI-KRWDZBQOSA-N 1 1 274.408 2.613 40 0 CFABMO COc1cccc(C[N@H+]2CC[C@@]3(C2)CCCN(C)C3)c1 ZINC000096268570 375483465 /nfs/dbraw/zinc/48/34/65/375483465.db2.gz XAGFZMNLSNXKAI-KRWDZBQOSA-N 1 1 274.408 2.613 40 0 CFABMO COc1ccc(CN2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000096268545 375484229 /nfs/dbraw/zinc/48/42/29/375484229.db2.gz NHFAWALQZBGJNW-KRWDZBQOSA-N 1 1 274.408 2.613 40 0 CFABMO CCCn1ccc(C[NH2+]Cc2ccc(OC)cc2)n1 ZINC000256055196 190005530 /nfs/dbraw/zinc/00/55/30/190005530.db2.gz ZQGULUJQPFHADM-UHFFFAOYSA-N 1 1 259.353 2.592 40 0 CFABMO CNc1ncccc1C[N@@H+]1CCC[C@@H]1c1ccnc(C)n1 ZINC000257202096 190010522 /nfs/dbraw/zinc/01/05/22/190010522.db2.gz AKKOITHMMCRKOI-OAHLLOKOSA-N 1 1 283.379 2.559 40 0 CFABMO CNc1ncccc1C[N@H+]1CCC[C@@H]1c1ccnc(C)n1 ZINC000257202096 190010523 /nfs/dbraw/zinc/01/05/23/190010523.db2.gz AKKOITHMMCRKOI-OAHLLOKOSA-N 1 1 283.379 2.559 40 0 CFABMO CCc1nc(C)c(C[N@H+]2CCC[C@@H](c3n[nH]cc3C)C2)[nH]1 ZINC000257216257 190013843 /nfs/dbraw/zinc/01/38/43/190013843.db2.gz CTSJOXXEHIYPNV-CYBMUJFWSA-N 1 1 287.411 2.692 40 0 CFABMO Cc1cc(C)nc([C@H]2CC[N@@H+](CCOc3ccccc3)C2)n1 ZINC000257231435 190015843 /nfs/dbraw/zinc/01/58/43/190015843.db2.gz GGQSPZRKXDLPGQ-INIZCTEOSA-N 1 1 297.402 2.962 40 0 CFABMO CC(C)[N@H+]1CCC[C@@H](Cc2nccnc2-c2cn[nH]c2)C1 ZINC000257221177 190014314 /nfs/dbraw/zinc/01/43/14/190014314.db2.gz DNUYGZOKYRMSKN-ZDUSSCGKSA-N 1 1 285.395 2.530 40 0 CFABMO c1ccc(C[C@@H]2CC3(C[NH+](Cc4ccccn4)C3)CO2)cc1 ZINC000257263072 190022170 /nfs/dbraw/zinc/02/21/70/190022170.db2.gz LOGVDBXNDAKQRJ-GOSISDBHSA-N 1 1 294.398 2.915 40 0 CFABMO CC(C)[N@H+]1CCC[C@@H](Cc2cnc(-c3cc[nH]n3)cn2)C1 ZINC000257265277 190022817 /nfs/dbraw/zinc/02/28/17/190022817.db2.gz LXYUPKLWGKUZEJ-ZDUSSCGKSA-N 1 1 285.395 2.530 40 0 CFABMO Cc1c[nH]c([C@@H]2C[N@H+](CCCc3ccccc3)CCO2)n1 ZINC000257278670 190025475 /nfs/dbraw/zinc/02/54/75/190025475.db2.gz ODDLRVFFBOMXEN-INIZCTEOSA-N 1 1 285.391 2.724 40 0 CFABMO Cc1c[nH]c([C@@H]2C[N@@H+](CCCc3ccccc3)CCO2)n1 ZINC000257278670 190025476 /nfs/dbraw/zinc/02/54/76/190025476.db2.gz ODDLRVFFBOMXEN-INIZCTEOSA-N 1 1 285.391 2.724 40 0 CFABMO Cc1cc(-c2ccc(C[C@@H]3CCC[N@H+](C)C3)cn2)n[nH]1 ZINC000257287446 190026904 /nfs/dbraw/zinc/02/69/04/190026904.db2.gz PQAINDGHXRLAGW-AWEZNQCLSA-N 1 1 270.380 2.664 40 0 CFABMO c1cc([C@H]2CC[N@H+](Cc3ccc4ccccc4n3)C2)n[nH]1 ZINC000257287946 190027136 /nfs/dbraw/zinc/02/71/36/190027136.db2.gz PSDSMKOVEHPFMW-AWEZNQCLSA-N 1 1 278.359 2.947 40 0 CFABMO Cc1c(C[N@H+]2CCC[C@@H](Cc3cccc(C)n3)C2)cnn1C ZINC000257291787 190027864 /nfs/dbraw/zinc/02/78/64/190027864.db2.gz QIPRWENYUQMMJM-INIZCTEOSA-N 1 1 298.434 2.887 40 0 CFABMO Cc1c[nH]nc1C[C@@H]1CCC[N@@H+](Cc2csc(C)n2)C1 ZINC000257317816 190032716 /nfs/dbraw/zinc/03/27/16/190032716.db2.gz VLGOEXMJQLUWPH-ZDUSSCGKSA-N 1 1 290.436 2.938 40 0 CFABMO Cc1c[nH]nc1C[C@@H]1CCC[N@H+](Cc2csc(C)n2)C1 ZINC000257317816 190032717 /nfs/dbraw/zinc/03/27/17/190032717.db2.gz VLGOEXMJQLUWPH-ZDUSSCGKSA-N 1 1 290.436 2.938 40 0 CFABMO c1cncc(O[C@@H]2CC[C@@H]3C[N@H+](CC4CC4)C[C@H]23)c1 ZINC000257340622 190037152 /nfs/dbraw/zinc/03/71/52/190037152.db2.gz ZGXQUJTUBGOLSE-VNQPRFMTSA-N 1 1 258.365 2.581 40 0 CFABMO Cc1c[nH]c([C@@H]2CC[N@@H+](CCOc3ccc(F)cc3)C2)n1 ZINC000257344923 190037718 /nfs/dbraw/zinc/03/77/18/190037718.db2.gz ZZGKFXQFVUJXHT-CYBMUJFWSA-N 1 1 289.354 2.726 40 0 CFABMO Cc1c2c(cc3c1C[N@H+](Cc1ccccc1)C[C@@H]3O)OCO2 ZINC000261828319 190044571 /nfs/dbraw/zinc/04/45/71/190044571.db2.gz KJTCWWDJVAOEAR-INIZCTEOSA-N 1 1 297.354 2.773 40 0 CFABMO Cc1c2c(cc3c1C[N@@H+](Cc1ccccc1)C[C@@H]3O)OCO2 ZINC000261828319 190044572 /nfs/dbraw/zinc/04/45/72/190044572.db2.gz KJTCWWDJVAOEAR-INIZCTEOSA-N 1 1 297.354 2.773 40 0 CFABMO CCO[C@H]1CSC2(C[NH+](Cc3ccccc3OC)C2)C1 ZINC000248145178 383214056 /nfs/dbraw/zinc/21/40/56/383214056.db2.gz SEQZXVBSQBPSEV-CQSZACIVSA-N 1 1 293.432 2.792 40 0 CFABMO COCC[C@H]1CCOC12C[NH+](Cc1cc(C)ccc1C)C2 ZINC000247918807 383200062 /nfs/dbraw/zinc/20/00/62/383200062.db2.gz ZYRRDWCNIQEKSG-KRWDZBQOSA-N 1 1 289.419 2.931 40 0 CFABMO CCO[C@@H]1CSC2(C[NH+](Cc3ccccc3OC)C2)C1 ZINC000248145174 383214666 /nfs/dbraw/zinc/21/46/66/383214666.db2.gz SEQZXVBSQBPSEV-AWEZNQCLSA-N 1 1 293.432 2.792 40 0 CFABMO COC[C@@H]1CC[N@@H+](C)C2(CN(Cc3ccccc3C)C2)C1 ZINC000248159735 383215725 /nfs/dbraw/zinc/21/57/25/383215725.db2.gz XBMCRFJYKIMYOE-MRXNPFEDSA-N 1 1 288.435 2.538 40 0 CFABMO COC[C@@H]1CCN(C)C2(C[NH+](Cc3ccccc3C)C2)C1 ZINC000248159735 383215729 /nfs/dbraw/zinc/21/57/29/383215729.db2.gz XBMCRFJYKIMYOE-MRXNPFEDSA-N 1 1 288.435 2.538 40 0 CFABMO Cc1c[nH]c([C@H]2CCCN(c3nc(C)cc(C)n3)C2)[nH+]1 ZINC000257304687 383494756 /nfs/dbraw/zinc/49/47/56/383494756.db2.gz SMSNKQFTGXBYGS-ZDUSSCGKSA-N 1 1 271.368 2.509 40 0 CFABMO C[N@H+](Cc1cscn1)[C@H]1CCCN(c2ccccn2)C1 ZINC000257330249 383494860 /nfs/dbraw/zinc/49/48/60/383494860.db2.gz XNOVEVJEEYLVLZ-AWEZNQCLSA-N 1 1 288.420 2.639 40 0 CFABMO C[N@@H+](Cc1cscn1)[C@H]1CCCN(c2ccccn2)C1 ZINC000257330249 383494862 /nfs/dbraw/zinc/49/48/62/383494862.db2.gz XNOVEVJEEYLVLZ-AWEZNQCLSA-N 1 1 288.420 2.639 40 0 CFABMO Cc1cc([C@H]2CCCN2C(=O)c2ccccc2)c[nH+]c1N ZINC000072218448 393645284 /nfs/dbraw/zinc/64/52/84/393645284.db2.gz ZDENUNFCKJEXRG-OAHLLOKOSA-N 1 1 281.359 2.950 40 0 CFABMO CC(C)C[N@H+]1CCC[C@@H]1c1ccc(N2CCOCC2)nc1 ZINC000072216165 393645299 /nfs/dbraw/zinc/64/52/99/393645299.db2.gz CYWNRTMOAODLSW-MRXNPFEDSA-N 1 1 289.423 2.711 40 0 CFABMO CCc1ccc([C@H]2[C@H]([NH3+])C(=O)N2c2ccc(F)cc2)cc1 ZINC000072227247 393647069 /nfs/dbraw/zinc/64/70/69/393647069.db2.gz CUKFXJJYRFFLTG-HOTGVXAUSA-N 1 1 284.334 2.803 40 0 CFABMO [NH3+][C@H]1C(=O)N(c2ccccc2)[C@@H]1c1ccccc1Cl ZINC000072227368 393647855 /nfs/dbraw/zinc/64/78/55/393647855.db2.gz GXHDDJJKOLFCJH-ZIAGYGMSSA-N 1 1 272.735 2.755 40 0 CFABMO CCc1ccc(N2C(=O)[C@@H]([NH3+])[C@@H]2c2ccc(C)cc2)cc1 ZINC000072228007 393648869 /nfs/dbraw/zinc/64/88/69/393648869.db2.gz OENFDZSZTKVNFF-IRXDYDNUSA-N 1 1 280.371 2.973 40 0 CFABMO CCc1ccc(N2C(=O)[C@H]([NH3+])[C@H]2c2ccc(C)cc2)cc1 ZINC000072228008 393648932 /nfs/dbraw/zinc/64/89/32/393648932.db2.gz OENFDZSZTKVNFF-IAGOWNOFSA-N 1 1 280.371 2.973 40 0 CFABMO COc1ccc([C@H]2[C@@H]([NH3+])C(=O)N2c2ccc(C)c(C)c2)cc1 ZINC000072227837 393649043 /nfs/dbraw/zinc/64/90/43/393649043.db2.gz KFQGHAWTIHNPBN-SJORKVTESA-N 1 1 296.370 2.727 40 0 CFABMO CCc1ccc(N2C(=O)[C@H]([NH3+])[C@H]2c2ccccc2F)cc1 ZINC000072228040 393649136 /nfs/dbraw/zinc/64/91/36/393649136.db2.gz NVFHPTYCEDTHBV-HZPDHXFCSA-N 1 1 284.334 2.803 40 0 CFABMO [NH3+][C@H]1C(=O)N(c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000072227376 393649201 /nfs/dbraw/zinc/64/92/01/393649201.db2.gz MXDGLYMDLNKZRH-ZIAGYGMSSA-N 1 1 272.735 2.755 40 0 CFABMO Cc1ccc([C@@H]2[C@H]([NH3+])C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000072228190 393650612 /nfs/dbraw/zinc/65/06/12/393650612.db2.gz KHWAWXITJWCLBB-JKSUJKDBSA-N 1 1 284.334 2.545 40 0 CFABMO CCn1ncc2c1[C@H](COC)C[N@H+](Cc1ccsc1)C2 ZINC000096060137 393815726 /nfs/dbraw/zinc/81/57/26/393815726.db2.gz PRNNXFWFDJSKSD-AWEZNQCLSA-N 1 1 291.420 2.710 40 0 CFABMO CCn1ncc2c1[C@H](COC)C[N@@H+](Cc1ccsc1)C2 ZINC000096060137 393815731 /nfs/dbraw/zinc/81/57/31/393815731.db2.gz PRNNXFWFDJSKSD-AWEZNQCLSA-N 1 1 291.420 2.710 40 0 CFABMO COC[C@@H]1C[N@@H+](Cc2ccc(C)s2)Cc2cnn(C)c21 ZINC000096060012 393815980 /nfs/dbraw/zinc/81/59/80/393815980.db2.gz XZHSTAAGGRYQPN-ZDUSSCGKSA-N 1 1 291.420 2.536 40 0 CFABMO CC(C)CC[N@H+]1C[C@@H]2C[C@H]1C(=O)Nc1ccccc1O2 ZINC000096111767 393816103 /nfs/dbraw/zinc/81/61/03/393816103.db2.gz OEFGAPMWQVSMRB-JSGCOSHPSA-N 1 1 274.364 2.507 40 0 biogenic,in-vitro CFABMO C[N@H+]1CCC[C@H]2N(C(=O)OC(C)(C)C)CCC[C@@]21C ZINC000254286870 393942656 /nfs/dbraw/zinc/94/26/56/393942656.db2.gz MFURMCJSPLMXDW-DOMZBBRYSA-N 1 1 268.401 2.870 40 0 CFABMO CC[N@H+]1CCC[C@@]2(CN(CC3CCCCC3)C2=O)C1 ZINC000585099295 395100185 /nfs/dbraw/zinc/10/01/85/395100185.db2.gz CBBBMIKESFWHBY-INIZCTEOSA-N 1 1 264.413 2.511 40 0 CFABMO CC1(C)[C@H]2CC[C@H](C2)[C@@]1(C)NC(=O)C[NH2+]Cc1ccco1 ZINC000005000557 170052635 /nfs/dbraw/zinc/05/26/35/170052635.db2.gz IRTBVVMYGBERLO-OGHNNQOOSA-N 1 1 290.407 2.700 40 0 CFABMO CCc1ccc(C(=S)N2CC[NH+](CC)CC2)cc1 ZINC000009189029 170365853 /nfs/dbraw/zinc/36/58/53/170365853.db2.gz AZXMPERRAUVUCR-UHFFFAOYSA-N 1 1 262.422 2.562 40 0 CFABMO COc1cccc(C=O)c1OCC[N@H+]1CCCC[C@@H]1C ZINC000009261352 170369459 /nfs/dbraw/zinc/36/94/59/170369459.db2.gz XIWOLSYHNAJMDG-ZDUSSCGKSA-N 1 1 277.364 2.761 40 0 CFABMO Cc1cc(C)cc(NC(=S)NC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000009876154 170388208 /nfs/dbraw/zinc/38/82/08/170388208.db2.gz QJDPRYCOUYXJFJ-AWEZNQCLSA-N 1 1 291.464 2.932 40 0 CFABMO CCCn1cc(C[NH+]2CCOCC2)c2ccccc21 ZINC000035182992 172036885 /nfs/dbraw/zinc/03/68/85/172036885.db2.gz XLAIHGANSNZNAQ-UHFFFAOYSA-N 1 1 258.365 2.884 40 0 CFABMO CC(C)[C@@H]([NH3+])c1nc2ccc(Br)cc2[nH]1 ZINC000037441200 173211173 /nfs/dbraw/zinc/21/11/73/173211173.db2.gz NGMMILUGFRSYMD-SNVBAGLBSA-N 1 1 268.158 2.981 40 0 CFABMO C[C@@H]1CNCC[N@@H+]1CCCCOc1ccccc1Cl ZINC000071978828 176307846 /nfs/dbraw/zinc/30/78/46/176307846.db2.gz SWRGWYDKOUJRAS-CYBMUJFWSA-N 1 1 282.815 2.793 40 0 CFABMO C[C@@H]1CNCC[N@H+]1CCCCOc1ccccc1Cl ZINC000071978828 176307847 /nfs/dbraw/zinc/30/78/47/176307847.db2.gz SWRGWYDKOUJRAS-CYBMUJFWSA-N 1 1 282.815 2.793 40 0 CFABMO Cc1nccn1-c1cncc([C@H]2CCC[N@@H+]2C(C)C)n1 ZINC000072355535 176374941 /nfs/dbraw/zinc/37/49/41/176374941.db2.gz AWKHXCBVFOZQIX-CQSZACIVSA-N 1 1 271.368 2.516 40 0 CFABMO COc1cccc(-c2cncc([C@H]3CCC[N@@H+](C)C3)n2)c1 ZINC000072359275 176376966 /nfs/dbraw/zinc/37/69/66/176376966.db2.gz WWBODDUZVVHKJI-AWEZNQCLSA-N 1 1 283.375 2.961 40 0 CFABMO Nc1nccc([C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2)n1 ZINC000072385358 176389827 /nfs/dbraw/zinc/38/98/27/176389827.db2.gz HZQHUKYMGHCHBO-HNNXBMFYSA-N 1 1 286.354 2.925 40 0 CFABMO Nc1nccc([C@@H]2CCCC[N@H+]2Cc2cccc(F)c2)n1 ZINC000072385358 176389828 /nfs/dbraw/zinc/38/98/28/176389828.db2.gz HZQHUKYMGHCHBO-HNNXBMFYSA-N 1 1 286.354 2.925 40 0 CFABMO c1cc([C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]2c2ccccc2)n[nH]1 ZINC000072395182 176394576 /nfs/dbraw/zinc/39/45/76/176394576.db2.gz VGZOQMJYIXXCQC-HYVNUMGLSA-N 1 1 297.402 2.629 40 0 CFABMO Cc1cc(C)n(-c2cccc(C[N@H+]3CCC[C@H](CO)C3)c2)n1 ZINC000072397852 176395628 /nfs/dbraw/zinc/39/56/28/176395628.db2.gz BYNJAADZIQNUMU-KRWDZBQOSA-N 1 1 299.418 2.693 40 0 CFABMO Cc1cc(N2CC[NH2+]CC2)c2cc(Cl)ccc2n1 ZINC000032500248 274708368 /nfs/dbraw/zinc/70/83/68/274708368.db2.gz MISDVEUJVSQWFZ-UHFFFAOYSA-N 1 1 261.756 2.606 40 0 CFABMO CCO[C@H]1C[N@@H+](Cc2cccs2)[C@@H]2CCCO[C@@H]21 ZINC000096057430 276359908 /nfs/dbraw/zinc/35/99/08/276359908.db2.gz JVYLMSSRDYMCKS-RDBSUJKOSA-N 1 1 267.394 2.516 40 0 CFABMO Fc1ccc([C@H]2[NH2+]CCS2)cc1Br ZINC000050522811 526368118 /nfs/dbraw/zinc/36/81/18/526368118.db2.gz KYTCQIPGSFKRFL-VIFPVBQESA-N 1 1 262.147 2.923 40 0 CFABMO Cc1occc1-c1n[nH]c([C@@H]([NH3+])c2ccc(C)cc2)n1 ZINC000095534104 185006646 /nfs/dbraw/zinc/00/66/46/185006646.db2.gz ZSBWVQMXVAHFEF-ZDUSSCGKSA-N 1 1 268.320 2.730 40 0 CFABMO Cc1cccc(-c2nnc([C@H]([NH3+])c3ccccc3)[nH]2)c1 ZINC000095533468 185007362 /nfs/dbraw/zinc/00/73/62/185007362.db2.gz CCJZVQFWSIYRTQ-CQSZACIVSA-N 1 1 264.332 2.828 40 0 CFABMO Cc1nccc([C@H]2C[C@@H]3CC[N@@H+](Cc4ccco4)C[C@H]3O2)n1 ZINC000096046150 185071733 /nfs/dbraw/zinc/07/17/33/185071733.db2.gz UQCMRECCSUIFNS-IAOVAPTHSA-N 1 1 299.374 2.730 40 0 CFABMO c1cncc(CN2CCCC23CC[NH+](CC2CC2)CC3)c1 ZINC000096049321 185072780 /nfs/dbraw/zinc/07/27/80/185072780.db2.gz VCJKBWBWWOIHOT-UHFFFAOYSA-N 1 1 285.435 2.922 40 0 CFABMO CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(C)o1)CC2 ZINC000096047499 185072786 /nfs/dbraw/zinc/07/27/86/185072786.db2.gz MAXQWBYLKDUZNI-KRWDZBQOSA-N 1 1 290.407 2.955 40 0 CFABMO O=C1[C@H]2C[N@@H+](Cc3cccs3)C[C@H]2CN1c1ccccc1 ZINC000096053572 185074776 /nfs/dbraw/zinc/07/47/76/185074776.db2.gz UDGWCHVTEADHMY-BBRMVZONSA-N 1 1 298.411 2.843 40 0 CFABMO CN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1cccs1)C2 ZINC000096049949 185074980 /nfs/dbraw/zinc/07/49/80/185074980.db2.gz XCHVUMMIKRIEPD-HNNXBMFYSA-N 1 1 278.421 2.725 40 0 CFABMO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cccs2)N1CC1CC1 ZINC000096056543 185077953 /nfs/dbraw/zinc/07/79/53/185077953.db2.gz IHPYPKBSOJYQQN-HUUCEWRRSA-N 1 1 290.432 2.723 40 0 CFABMO O[C@@H]1CC[N@@H+](Cc2cccs2)[C@H]1Cc1ccccc1 ZINC000096061554 185082525 /nfs/dbraw/zinc/08/25/25/185082525.db2.gz HUTFJVHLFWGYFM-JKSUJKDBSA-N 1 1 273.401 2.926 40 0 CFABMO c1csc(CN2Cc3nc(C[NH+]4CCCC4)oc3C2)c1 ZINC000096086750 185093853 /nfs/dbraw/zinc/09/38/53/185093853.db2.gz QKKYTNLQSUTUCA-UHFFFAOYSA-N 1 1 289.404 2.848 40 0 CFABMO CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1nc(C)cs1)C2 ZINC000096107228 185099171 /nfs/dbraw/zinc/09/91/71/185099171.db2.gz XGGKTDWCFPHHGL-HIFRSBDPSA-N 1 1 296.436 2.612 40 0 CFABMO CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1nc(C)cs1)C2 ZINC000096107228 185099173 /nfs/dbraw/zinc/09/91/73/185099173.db2.gz XGGKTDWCFPHHGL-HIFRSBDPSA-N 1 1 296.436 2.612 40 0 CFABMO COC[C@@]12CCO[C@@H]1CC[N@@H+](Cc1ccc(C)s1)C2 ZINC000096110318 185100960 /nfs/dbraw/zinc/10/09/60/185100960.db2.gz YCZHMDCNHYFLQX-CABCVRRESA-N 1 1 281.421 2.684 40 0 CFABMO O=C1C[C@@H]2[C@H](CC[N@H+]2Cc2ccoc2)N1c1ccsc1 ZINC000096110720 185101400 /nfs/dbraw/zinc/10/14/00/185101400.db2.gz WQTMPBBKYLMUNJ-UONOGXRCSA-N 1 1 288.372 2.721 40 0 CFABMO OC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000128059353 232203893 /nfs/dbraw/zinc/20/38/93/232203893.db2.gz DZBSBAIYMVISFH-UHFFFAOYSA-N 1 1 260.164 2.950 40 0 CFABMO CCc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@H]2C)cc1 ZINC000005556926 346211806 /nfs/dbraw/zinc/21/18/06/346211806.db2.gz HVPKCRPSZRFTBQ-GDBMZVCRSA-N 1 1 277.408 2.863 40 0 CFABMO CC[NH+]1CCN(C(=O)CCc2ccc(C(C)C)cc2)CC1 ZINC000023227778 346251821 /nfs/dbraw/zinc/25/18/21/346251821.db2.gz NLDATOQWZGAEPC-UHFFFAOYSA-N 1 1 288.435 2.907 40 0 CFABMO CCC[C@H](C(=O)c1cccc2c1OCO2)[NH+]1CCCC1 ZINC000097758807 347710121 /nfs/dbraw/zinc/71/01/21/347710121.db2.gz LBRDQHPPVAYKTK-CYBMUJFWSA-N 1 1 275.348 2.863 40 0 in-vitro CFABMO CO[C@@H]1CC[N@@H+](Cc2c[nH]nc2C)C[C@H]1Cc1ccccc1 ZINC000585273363 348738800 /nfs/dbraw/zinc/73/88/00/348738800.db2.gz CWROKGOPRPPCQK-SJLPKXTDSA-N 1 1 299.418 2.798 40 0 CFABMO CO[C@@H]1CC[N@H+](Cc2cn[nH]c2C)C[C@H]1Cc1ccccc1 ZINC000585273363 348738804 /nfs/dbraw/zinc/73/88/04/348738804.db2.gz CWROKGOPRPPCQK-SJLPKXTDSA-N 1 1 299.418 2.798 40 0 CFABMO CO[C@@H]1CC[N@@H+](Cc2cn[nH]c2C)C[C@H]1Cc1ccccc1 ZINC000585273363 348738807 /nfs/dbraw/zinc/73/88/07/348738807.db2.gz CWROKGOPRPPCQK-SJLPKXTDSA-N 1 1 299.418 2.798 40 0 CFABMO Cc1cc(C)nc(N2CC[C@H]3[C@H](C[N@@H+]3CCC(C)C)C2)n1 ZINC000585107936 348734327 /nfs/dbraw/zinc/73/43/27/348734327.db2.gz GSXICFHFHPAPLS-CVEARBPZSA-N 1 1 288.439 2.650 40 0 CFABMO CCCC[N@H+]1CCC[C@@]2(CCC(=O)N2CC)CC1 ZINC000585100767 348734683 /nfs/dbraw/zinc/73/46/83/348734683.db2.gz VTVBEVZEUAMBAG-OAHLLOKOSA-N 1 1 252.402 2.654 40 0 CFABMO Cc1cc(C)nc(N2CC[C@@H]3[C@H](C[N@@H+]3CCC(C)C)C2)n1 ZINC000585107938 348734756 /nfs/dbraw/zinc/73/47/56/348734756.db2.gz GSXICFHFHPAPLS-HZPDHXFCSA-N 1 1 288.439 2.650 40 0 CFABMO Cc1nc(CN2CC[C@H]3[C@H]2CC[N@@H+]3CC(C)C)cs1 ZINC000107198851 186162708 /nfs/dbraw/zinc/16/27/08/186162708.db2.gz DCUUCSAEYIKSSC-LSDHHAIUSA-N 1 1 279.453 2.756 40 0 CFABMO C[C@@H]1C[C@H](C)C[N@H+](C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000012170053 371947614 /nfs/dbraw/zinc/94/76/14/371947614.db2.gz JFVBJQRIVRCLHX-VNHYZAJKSA-N 1 1 281.371 2.543 40 0 CFABMO c1cn(CCC[N@H+](Cc2cnc[nH]2)C[C@@H]2CC=CCC2)cn1 ZINC000013991198 372056004 /nfs/dbraw/zinc/05/60/04/372056004.db2.gz QHOAOEPWGOZWAB-MRXNPFEDSA-N 1 1 299.422 2.855 40 0 CFABMO c1cn(CCC[N@@H+](Cc2c[nH]cn2)C[C@@H]2CC=CCC2)cn1 ZINC000013991198 372056011 /nfs/dbraw/zinc/05/60/11/372056011.db2.gz QHOAOEPWGOZWAB-MRXNPFEDSA-N 1 1 299.422 2.855 40 0 CFABMO c1cn(CCC[N@H+](Cc2c[nH]cn2)C[C@@H]2CC=CCC2)cn1 ZINC000013991198 372056020 /nfs/dbraw/zinc/05/60/20/372056020.db2.gz QHOAOEPWGOZWAB-MRXNPFEDSA-N 1 1 299.422 2.855 40 0 CFABMO COc1ccccc1C[N@H+](CCO)Cc1cccs1 ZINC000013997413 372056198 /nfs/dbraw/zinc/05/61/98/372056198.db2.gz RSNHEYDTMQPSMI-UHFFFAOYSA-N 1 1 277.389 2.751 40 0 CFABMO COc1ccccc1C[N@@H+](CCO)Cc1cccs1 ZINC000013997413 372056209 /nfs/dbraw/zinc/05/62/09/372056209.db2.gz RSNHEYDTMQPSMI-UHFFFAOYSA-N 1 1 277.389 2.751 40 0 CFABMO Nc1nc(N)c(Cc2c(Cl)cccc2Cl)c[nH+]1 ZINC000015444059 372084518 /nfs/dbraw/zinc/08/45/18/372084518.db2.gz WMXCJRDWQAACHI-UHFFFAOYSA-N 1 1 269.135 2.539 40 0 CFABMO C[N@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000016189034 372101632 /nfs/dbraw/zinc/10/16/32/372101632.db2.gz RGGCEMJNHKZCSS-UHFFFAOYSA-N 1 1 267.760 2.509 40 0 CFABMO CC(C)c1[nH+]ccn1CCCn1cncc1-c1cnn(C)c1 ZINC000019719486 372180306 /nfs/dbraw/zinc/18/03/06/372180306.db2.gz QTQNVKGOZZSYHK-UHFFFAOYSA-N 1 1 298.394 2.694 40 0 CFABMO C[C@H]1CCC[N@@H+](Cc2ccnc(-c3ccncc3)n2)C1 ZINC000019496575 372167862 /nfs/dbraw/zinc/16/78/62/372167862.db2.gz YSOQIJBAYDAWOY-ZDUSSCGKSA-N 1 1 268.364 2.771 40 0 CFABMO C[N@@H+]1CCc2cc3c(c4c2[C@H]1Cc1ccc(O)cc1-4)OCO3 ZINC000032273181 372436035 /nfs/dbraw/zinc/43/60/35/372436035.db2.gz DYAAXURJUVSJEZ-CQSZACIVSA-N 1 1 295.338 2.873 40 0 biogenic,in-vitro CFABMO C[N@H+]1CCc2cc3c(c4c2[C@H]1Cc1ccc(O)cc1-4)OCO3 ZINC000032273181 372436039 /nfs/dbraw/zinc/43/60/39/372436039.db2.gz DYAAXURJUVSJEZ-CQSZACIVSA-N 1 1 295.338 2.873 40 0 biogenic,in-vitro CFABMO C[C@@H]1C[C@H](C)C[N@H+](C[C@H](O)COc2ccc(F)cc2)C1 ZINC000035088638 372537241 /nfs/dbraw/zinc/53/72/41/372537241.db2.gz JFVBJQRIVRCLHX-GUTXKFCHSA-N 1 1 281.371 2.543 40 0 CFABMO C[C@H]1CCC[N@@H+](CCCNC(=O)Cc2ccc(F)cc2)C1 ZINC000046958821 373072689 /nfs/dbraw/zinc/07/26/89/373072689.db2.gz QNKQUIBNSCPPHH-AWEZNQCLSA-N 1 1 292.398 2.606 40 0 CFABMO c1coc(C[N@H+]2CC[C@H](c3nnc(-c4ccncc4)o3)C2)c1 ZINC000049169577 373273192 /nfs/dbraw/zinc/27/31/92/373273192.db2.gz WDIKTXQEXNCWOV-ZDUSSCGKSA-N 1 1 296.330 2.714 40 0 biogenic,in-vitro CFABMO COc1ccc(-c2nnc([C@H]3CC[N@@H+](CC4CC4)C3)o2)cc1 ZINC000049170164 373275810 /nfs/dbraw/zinc/27/58/10/373275810.db2.gz JMGGZOCBRQMWTE-AWEZNQCLSA-N 1 1 299.374 2.945 40 0 biogenic,in-vitro CFABMO COc1ccc(CN[C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000054976514 373532930 /nfs/dbraw/zinc/53/29/30/373532930.db2.gz GDGJJJMFINQFHI-IOASZLSFSA-N 1 1 262.397 2.514 40 0 CFABMO COc1ccc(CN[C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000054976514 373532939 /nfs/dbraw/zinc/53/29/39/373532939.db2.gz 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CCCn1ccc(C[NH2+]Cc2cccc(OC)c2)n1 ZINC000256049954 190003217 /nfs/dbraw/zinc/00/32/17/190003217.db2.gz CBNKQCKIJOGDDA-UHFFFAOYSA-N 1 1 259.353 2.592 40 0 CFABMO C[N@@H+]1[C@@H]2CC[C@H]1CC(OC(=O)c1c[nH]c3ccccc13)C2 ZINC000100012129 375612150 /nfs/dbraw/zinc/61/21/50/375612150.db2.gz RIJFNUHYNBVLOZ-RLCAUIQDSA-N 1 1 284.359 2.655 40 0 in-vitro CFABMO Cc1cccc(C[C@@H]2CCC[N@@H+](Cc3ccnc(C)n3)C2)n1 ZINC000257207053 190011890 /nfs/dbraw/zinc/01/18/90/190011890.db2.gz BGEHFJLLJRLRBX-INIZCTEOSA-N 1 1 296.418 2.943 40 0 CFABMO Cc1c[nH]c([C@H]2CCC[N@@H+](Cc3csc(C)n3)C2)n1 ZINC000257230713 190015835 /nfs/dbraw/zinc/01/58/35/190015835.db2.gz GDOZEXPYSROIGN-LBPRGKRZSA-N 1 1 276.409 2.863 40 0 CFABMO Cc1c[nH]c([C@H]2CCC[N@H+](Cc3csc(C)n3)C2)n1 ZINC000257230713 190015836 /nfs/dbraw/zinc/01/58/36/190015836.db2.gz GDOZEXPYSROIGN-LBPRGKRZSA-N 1 1 276.409 2.863 40 0 CFABMO Cc1cccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CC[N@@H+]3C)c1 ZINC000257216780 190014085 /nfs/dbraw/zinc/01/40/85/190014085.db2.gz 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ZINC000019367683 372158229 /nfs/dbraw/zinc/15/82/29/372158229.db2.gz YKMZEBJFTJPMGZ-ROUUACIJSA-N 1 1 284.403 2.613 40 0 CFABMO CCn1c(C[N@@H+]2CCCC[C@H]2C)nc2ccccc2c1=O ZINC000019524199 372174441 /nfs/dbraw/zinc/17/44/41/372174441.db2.gz PZVNVRGMPSXXFN-CYBMUJFWSA-N 1 1 285.391 2.791 40 0 CFABMO CCn1c(C[N@H+]2CCCC[C@H]2C)nc2ccccc2c1=O ZINC000019524199 372174446 /nfs/dbraw/zinc/17/44/46/372174446.db2.gz PZVNVRGMPSXXFN-CYBMUJFWSA-N 1 1 285.391 2.791 40 0 CFABMO C1=C[C@H]2C[C@@H]1C[C@H]2CN1CC[NH+](C2CCCC2)CC1 ZINC000019790022 372188221 /nfs/dbraw/zinc/18/82/21/372188221.db2.gz WWMADOQKXVKTKF-PMPSAXMXSA-N 1 1 260.425 2.759 40 0 CFABMO [NH3+]CC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000019843464 372198486 /nfs/dbraw/zinc/19/84/86/372198486.db2.gz IARLQXASBIVOHZ-UHFFFAOYSA-N 1 1 283.213 2.620 40 0 CFABMO [NH3+]Cc1nc2ccc(OCc3ccccc3)cc2[nH]1 ZINC000026443823 372320150 /nfs/dbraw/zinc/32/01/50/372320150.db2.gz HFYUVXOTCMQHTO-UHFFFAOYSA-N 1 1 253.305 2.601 40 0 CFABMO C[C@@H]1CCC[N@@H+](CCCNC(=O)Cc2ccc(F)cc2)C1 ZINC000046958819 373073153 /nfs/dbraw/zinc/07/31/53/373073153.db2.gz QNKQUIBNSCPPHH-CQSZACIVSA-N 1 1 292.398 2.606 40 0 CFABMO CC(C)(C)C[N@H+]1CC[C@H](c2nnc(-c3ccncc3)o2)C1 ZINC000049169604 373273466 /nfs/dbraw/zinc/27/34/66/373273466.db2.gz RXSGQCRKEWYPMQ-ZDUSSCGKSA-N 1 1 286.379 2.967 40 0 biogenic,in-vitro CFABMO CC(C)[N@H+]1CC[C@H](c2nnc(-c3ccccc3)o2)C1 ZINC000049169372 373273483 /nfs/dbraw/zinc/27/34/83/373273483.db2.gz PHZRSRXYLMZSNW-ZDUSSCGKSA-N 1 1 257.337 2.934 40 0 biogenic,in-vitro CFABMO COc1ccc(C)cc1Nc1cc(N)[nH+]c(C2CC2)n1 ZINC000049467659 373299721 /nfs/dbraw/zinc/29/97/21/373299721.db2.gz STYLQHJMIROMGO-UHFFFAOYSA-N 1 1 270.336 2.997 40 0 CFABMO c1ccc(C[C@@H]2CNCC[N@@H+]2Cc2ccccc2)cc1 ZINC000062662894 373761135 /nfs/dbraw/zinc/76/11/35/373761135.db2.gz NUGGDPZUASKXAU-GOSISDBHSA-N 1 1 266.388 2.703 40 0 biogenic,in-vitro CFABMO c1ccc(C[C@@H]2CNCC[N@H+]2Cc2ccccc2)cc1 ZINC000062662894 373761143 /nfs/dbraw/zinc/76/11/43/373761143.db2.gz NUGGDPZUASKXAU-GOSISDBHSA-N 1 1 266.388 2.703 40 0 biogenic,in-vitro CFABMO c1ccc(C[C@H]2CNCC[N@@H+]2Cc2ccccc2)cc1 ZINC000062662896 373761237 /nfs/dbraw/zinc/76/12/37/373761237.db2.gz NUGGDPZUASKXAU-SFHVURJKSA-N 1 1 266.388 2.703 40 0 biogenic,in-vitro CFABMO c1ccc(C[C@H]2CNCC[N@H+]2Cc2ccccc2)cc1 ZINC000062662896 373761248 /nfs/dbraw/zinc/76/12/48/373761248.db2.gz NUGGDPZUASKXAU-SFHVURJKSA-N 1 1 266.388 2.703 40 0 biogenic,in-vitro CFABMO COc1ccccc1CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000063527655 373809585 /nfs/dbraw/zinc/80/95/85/373809585.db2.gz JDFVAHRZXQDXAO-KRWDZBQOSA-N 1 1 274.408 2.613 40 0 CFABMO COc1ccccc1C[N@@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000063527655 373809605 /nfs/dbraw/zinc/80/96/05/373809605.db2.gz JDFVAHRZXQDXAO-KRWDZBQOSA-N 1 1 274.408 2.613 40 0 CFABMO COc1ccccc1C[N@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000063527655 373809606 /nfs/dbraw/zinc/80/96/06/373809606.db2.gz JDFVAHRZXQDXAO-KRWDZBQOSA-N 1 1 274.408 2.613 40 0 CFABMO C[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1nccs1 ZINC000079438534 374612320 /nfs/dbraw/zinc/61/23/20/374612320.db2.gz VCUOTRDUUFDWEQ-MNOVXSKESA-N 1 1 297.424 2.803 40 0 CFABMO CC(C)Nc1nc(N2CCc3ccccc3C2)cc[nH+]1 ZINC000084646798 374785767 /nfs/dbraw/zinc/78/57/67/374785767.db2.gz HBSMUXRPFUVCFU-UHFFFAOYSA-N 1 1 268.364 2.860 40 0 CFABMO CCCCOc1c(C)cc(-c2noc(C[NH3+])n2)cc1C ZINC000095095339 375413621 /nfs/dbraw/zinc/41/36/21/375413621.db2.gz SRFTYYYJHBGWEH-UHFFFAOYSA-N 1 1 275.352 2.991 40 0 CFABMO CC(C)C[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)Cc1ccsc1 ZINC000096184297 375474702 /nfs/dbraw/zinc/47/47/02/375474702.db2.gz NJRFKHNPVHUAKS-LSDHHAIUSA-N 1 1 292.448 2.622 40 0 CFABMO O=C1C[C@H]2[C@@H](CC[N@H+]2Cc2ccncc2)N1c1ccsc1 ZINC000096184120 375475310 /nfs/dbraw/zinc/47/53/10/375475310.db2.gz VCDMDWXGKXVOIJ-CABCVRRESA-N 1 1 299.399 2.523 40 0 CFABMO c1csc(C[N@@H+]2C[C@@H]3COC[C@]3(COCC3CC3)C2)c1 ZINC000096208900 375476781 /nfs/dbraw/zinc/47/67/81/375476781.db2.gz SHEDCTVZDQVTDH-GDBMZVCRSA-N 1 1 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CFABMO Cc1c(C[N@H+]2CCC[C@H]2CCc2ccncc2)cnn1C ZINC000257293380 190028737 /nfs/dbraw/zinc/02/87/37/190028737.db2.gz QPFNWDFJGDXFSN-KRWDZBQOSA-N 1 1 284.407 2.721 40 0 CFABMO Cc1nc(CN2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cs1 ZINC000257308823 190031095 /nfs/dbraw/zinc/03/10/95/190031095.db2.gz TYGQPXHFCPOIKS-MRXNPFEDSA-N 1 1 287.432 2.940 40 0 CFABMO Cc1nc(CN2CC[N@H+](C)[C@@H](c3ccccc3)C2)cs1 ZINC000257308823 190031096 /nfs/dbraw/zinc/03/10/96/190031096.db2.gz TYGQPXHFCPOIKS-MRXNPFEDSA-N 1 1 287.432 2.940 40 0 CFABMO Cc1cc(CC2CC[NH+](Cc3nccn3C)CC2)ccn1 ZINC000257314889 190032860 /nfs/dbraw/zinc/03/28/60/190032860.db2.gz UYZXJJCSRMSQBL-UHFFFAOYSA-N 1 1 284.407 2.578 40 0 CFABMO COc1cc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)ccc1F ZINC000257327882 190035031 /nfs/dbraw/zinc/03/50/31/190035031.db2.gz XDDBERPXRDVVKF-ZDUSSCGKSA-N 1 1 289.354 2.937 40 0 CFABMO Cc1cc(-c2cnc(C[C@H]3CCC[N@H+](C(C)C)C3)cn2)n[nH]1 ZINC000257339562 190036811 /nfs/dbraw/zinc/03/68/11/190036811.db2.gz ZCGZQWDJFNJSET-CQSZACIVSA-N 1 1 299.422 2.838 40 0 CFABMO Cc1nc(CN2CC[C@H]3[C@H]2CC[N@H+]3CC2CC2)cs1 ZINC000306139736 382453019 /nfs/dbraw/zinc/45/30/19/382453019.db2.gz TYVSDYQYCMVIRR-LSDHHAIUSA-N 1 1 277.437 2.510 40 0 CFABMO C/C(=C\c1ccccc1)C[N@H+](C)[C@@H](C)C[S@@](C)=O ZINC000192973517 382714156 /nfs/dbraw/zinc/71/41/56/382714156.db2.gz INVMYADMEPOTCW-GZGXJJEUSA-N 1 1 265.422 2.789 40 0 CFABMO CC(=O)Nc1cc([N@@H+]2CCC[C@H](C)C2)c(C)cc1N ZINC000216864270 382784878 /nfs/dbraw/zinc/78/48/78/382784878.db2.gz OYYPXDLNWXBISW-JTQLQIEISA-N 1 1 261.369 2.772 40 0 CFABMO CC(=O)Nc1cc([N@H+]2CCC[C@H](C)C2)c(C)cc1N ZINC000216864270 382784879 /nfs/dbraw/zinc/78/48/79/382784879.db2.gz OYYPXDLNWXBISW-JTQLQIEISA-N 1 1 261.369 2.772 40 0 CFABMO CO[C@@H]1CCOC2(C[NH+](Cc3cccc4[nH]ccc43)C2)C1 ZINC000247984366 383204267 /nfs/dbraw/zinc/20/42/67/383204267.db2.gz YNEUFPCVMHLCSO-CQSZACIVSA-N 1 1 286.375 2.548 40 0 CFABMO Cc1cc(-c2cccc([C@H]3CCC[N@H+](C)C3)n2)n[nH]1 ZINC000257257379 383493574 /nfs/dbraw/zinc/49/35/74/383493574.db2.gz KPJMQYCBTRQZMQ-LBPRGKRZSA-N 1 1 256.353 2.589 40 0 CFABMO CNc1cc([C@H]2CCCN(c3ccnc(C)n3)C2)cc[nH+]1 ZINC000257301147 383495538 /nfs/dbraw/zinc/49/55/38/383495538.db2.gz RXEAHJQKDKTBNT-AWEZNQCLSA-N 1 1 283.379 2.606 40 0 CFABMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCOCC2)nc1C ZINC000072219642 256707286 /nfs/dbraw/zinc/70/72/86/256707286.db2.gz ICPQJJHKCURCBB-INIZCTEOSA-N 1 1 289.423 2.774 40 0 CFABMO CC(C)CO[C@H](C[NH+](C)C)C(Cl)(Cl)Cl ZINC000002027960 393452556 /nfs/dbraw/zinc/45/25/56/393452556.db2.gz LGXGABYJTWHQDQ-MRVPVSSYSA-N 1 1 262.608 2.959 40 0 CFABMO CC(C)[N@H+]1CCCC[C@@H]1c1cccnc1N1CCOCC1 ZINC000072216242 393645383 /nfs/dbraw/zinc/64/53/83/393645383.db2.gz FYMPNMKYTDBKDR-MRXNPFEDSA-N 1 1 289.423 2.854 40 0 CFABMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCOCC2)nc1C ZINC000072219641 393646156 /nfs/dbraw/zinc/64/61/56/393646156.db2.gz ICPQJJHKCURCBB-MRXNPFEDSA-N 1 1 289.423 2.774 40 0 CFABMO CCC(=O)c1cnc(N2CC[NH+](C(C)C)CC2)c(C)c1 ZINC000072222661 393646435 /nfs/dbraw/zinc/64/64/35/393646435.db2.gz KQJHMVZADOHTGG-UHFFFAOYSA-N 1 1 275.396 2.513 40 0 CFABMO [NH3+][C@@H]1C(=O)N(c2ccccc2)[C@@H]1c1ccccc1Cl ZINC000072227366 393647138 /nfs/dbraw/zinc/64/71/38/393647138.db2.gz GXHDDJJKOLFCJH-UONOGXRCSA-N 1 1 272.735 2.755 40 0 CFABMO CCc1ccc([C@H]2[C@@H]([NH3+])C(=O)N2c2ccccc2)cc1 ZINC000072227385 393648845 /nfs/dbraw/zinc/64/88/45/393648845.db2.gz NPKDWUYFGDFHNP-CVEARBPZSA-N 1 1 266.344 2.664 40 0 CFABMO COc1cccc([C@@H]2[C@H]([NH3+])C(=O)N2c2ccc(C)c(C)c2)c1 ZINC000072227850 393648913 /nfs/dbraw/zinc/64/89/13/393648913.db2.gz YJTUMMSGSQQREJ-DLBZAZTESA-N 1 1 296.370 2.727 40 0 CFABMO COc1cccc([C@@H]2[C@@H]([NH3+])C(=O)N2c2ccc(C)c(C)c2)c1 ZINC000072227852 393648990 /nfs/dbraw/zinc/64/89/90/393648990.db2.gz YJTUMMSGSQQREJ-IAGOWNOFSA-N 1 1 296.370 2.727 40 0 CFABMO [NH3+][C@@H]1C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1Cl ZINC000072228151 393649187 /nfs/dbraw/zinc/64/91/87/393649187.db2.gz INXYQUOSYYURJR-GJZGRUSLSA-N 1 1 286.762 2.751 40 0 CFABMO Cc1cccc(N2C(=O)[C@H]([NH3+])[C@@H]2c2ccccc2F)c1 ZINC000072227437 393649259 /nfs/dbraw/zinc/64/92/59/393649259.db2.gz XPPADCIQOVVVML-CABCVRRESA-N 1 1 270.307 2.549 40 0 CFABMO CC[C@H](C)[N@H+]1CC[C@@]2(C1)CCCN(c1ccc(C)nn1)C2 ZINC000096217098 393817051 /nfs/dbraw/zinc/81/70/51/393817051.db2.gz OUSXKZPZYZMLOP-DOTOQJQBSA-N 1 1 288.439 2.876 40 0 CFABMO CC[NH+](CC)Cn1c(=O)oc2ccc(Cl)cc21 ZINC000005453663 170100526 /nfs/dbraw/zinc/10/05/26/170100526.db2.gz IITQLXZZPIROBT-UHFFFAOYSA-N 1 1 254.717 2.547 40 0 CFABMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc2ccccc2n1 ZINC000019575768 170828292 /nfs/dbraw/zinc/82/82/92/170828292.db2.gz JFSAATSINZRPLA-WMLDXEAASA-N 1 1 281.403 2.903 40 0 CFABMO COCC[N@H+]1CCC[C@H]1c1ccnc(-c2ccccc2)n1 ZINC000072355797 176375052 /nfs/dbraw/zinc/37/50/52/176375052.db2.gz KVPMACSBIQTAFT-INIZCTEOSA-N 1 1 283.375 2.927 40 0 CFABMO Cc1cccc([C@H]2CCC[N@@H+](Cc3nccn3C)C2)n1 ZINC000072364310 176379773 /nfs/dbraw/zinc/37/97/73/176379773.db2.gz JDLIZMLOHRQLOE-AWEZNQCLSA-N 1 1 270.380 2.503 40 0 CFABMO Cc1cccc([C@H]2CCC[N@H+](Cc3nccn3C)C2)n1 ZINC000072364310 176379774 /nfs/dbraw/zinc/37/97/74/176379774.db2.gz JDLIZMLOHRQLOE-AWEZNQCLSA-N 1 1 270.380 2.503 40 0 CFABMO c1cncc(C[N@H+]2CCC[C@H](c3ccncc3)C2)c1 ZINC000072367962 176382395 /nfs/dbraw/zinc/38/23/95/176382395.db2.gz UJISCIFCYZQGBE-INIZCTEOSA-N 1 1 253.349 2.856 40 0 CFABMO CC(C)[N@H+]1CCCC[C@@H]1c1ccnc(Nc2cnccn2)n1 ZINC000072377462 176385918 /nfs/dbraw/zinc/38/59/18/176385918.db2.gz CFVSGNMERXGZGT-CQSZACIVSA-N 1 1 298.394 2.946 40 0 CFABMO c1ccc(C[C@H]2CCC[N@@H+](Cc3ccccn3)C2)nc1 ZINC000072385080 176389135 /nfs/dbraw/zinc/38/91/35/176389135.db2.gz HFKUFNWLCYAPIN-OAHLLOKOSA-N 1 1 267.376 2.931 40 0 CFABMO c1cnc([C@H]2CCCC[N@H+]2Cc2ccncc2)cn1 ZINC000072385035 176389190 /nfs/dbraw/zinc/38/91/90/176389190.db2.gz RFSABEPDUYNFFK-OAHLLOKOSA-N 1 1 254.337 2.599 40 0 CFABMO c1cnc([C@H]2CCCC[N@@H+]2Cc2ccncc2)cn1 ZINC000072385035 176389191 /nfs/dbraw/zinc/38/91/91/176389191.db2.gz RFSABEPDUYNFFK-OAHLLOKOSA-N 1 1 254.337 2.599 40 0 CFABMO Cc1nc(C[NH+]2CCC(c3cncc(C)n3)CC2)cs1 ZINC000072386115 176391263 /nfs/dbraw/zinc/39/12/63/176391263.db2.gz ZUAASECNPGTCCO-UHFFFAOYSA-N 1 1 288.420 2.930 40 0 CFABMO CNc1ncccc1C[N@@H+]1CCCC[C@H]1c1ccncn1 ZINC000072386210 176391474 /nfs/dbraw/zinc/39/14/74/176391474.db2.gz ZRARAYPRNBYNKF-HNNXBMFYSA-N 1 1 283.379 2.641 40 0 CFABMO CNc1ncccc1C[N@H+]1CCCC[C@H]1c1ccncn1 ZINC000072386210 176391475 /nfs/dbraw/zinc/39/14/75/176391475.db2.gz ZRARAYPRNBYNKF-HNNXBMFYSA-N 1 1 283.379 2.641 40 0 CFABMO Cc1nc(N)cc([C@@H]2CC[N@@H+]2Cc2ccc3[nH]ccc3c2)n1 ZINC000072387619 176392966 /nfs/dbraw/zinc/39/29/66/176392966.db2.gz YCKUWHQJTUWGTF-INIZCTEOSA-N 1 1 293.374 2.796 40 0 CFABMO Cc1nc(N)cc([C@@H]2CC[N@H+]2Cc2ccc3[nH]ccc3c2)n1 ZINC000072387619 176392967 /nfs/dbraw/zinc/39/29/67/176392967.db2.gz YCKUWHQJTUWGTF-INIZCTEOSA-N 1 1 293.374 2.796 40 0 CFABMO OCC[C@H]1CCCC[N@H+]1Cc1c[nH]nc1-c1cccs1 ZINC000072397790 176395377 /nfs/dbraw/zinc/39/53/77/176395377.db2.gz CXKCWLGIGPEHBS-CYBMUJFWSA-N 1 1 291.420 2.875 40 0 CFABMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)N2N=CC[C@@H]2c2ccccc2)C1 ZINC000017024826 274398558 /nfs/dbraw/zinc/39/85/58/274398558.db2.gz ZUUATDISHOXEKE-HLLBOEOZSA-N 1 1 299.418 2.924 40 0 CFABMO Nc1ccc([NH+]2CCCCCC2)c(C(=O)N2CCCC2)c1 ZINC000225486283 303495940 /nfs/dbraw/zinc/49/59/40/303495940.db2.gz MJCWGFCMAPGMLS-UHFFFAOYSA-N 1 1 287.407 2.885 40 0 CFABMO CC[C@@H](CC(=O)OCc1ccccc1)[NH+]1CCC(=O)CC1 ZINC000228907419 522484298 /nfs/dbraw/zinc/48/42/98/522484298.db2.gz XMQAMOBEQOOHLJ-HNNXBMFYSA-N 1 1 289.375 2.563 40 0 CFABMO COc1cccc([C@H]([NH3+])c2nc(-c3ccccc3F)n[nH]2)c1 ZINC000095533568 185005808 /nfs/dbraw/zinc/00/58/08/185005808.db2.gz FLNVQHNQQGEFIE-AWEZNQCLSA-N 1 1 298.321 2.668 40 0 CFABMO COc1ccc([C@@H]([NH3+])c2nnc(-c3ccc(C)cc3)[nH]2)cc1 ZINC000095533742 185006160 /nfs/dbraw/zinc/00/61/60/185006160.db2.gz MHMSNTDCNICZSI-OAHLLOKOSA-N 1 1 294.358 2.837 40 0 CFABMO CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1nccs1)C2 ZINC000096039324 185069361 /nfs/dbraw/zinc/06/93/61/185069361.db2.gz WFINKTBRGBJVHM-ZFWWWQNUSA-N 1 1 296.436 2.551 40 0 CFABMO CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1nccs1)C2 ZINC000096039324 185069362 /nfs/dbraw/zinc/06/93/62/185069362.db2.gz WFINKTBRGBJVHM-ZFWWWQNUSA-N 1 1 296.436 2.551 40 0 CFABMO CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc(C)o1)CC2 ZINC000096047498 185073681 /nfs/dbraw/zinc/07/36/81/185073681.db2.gz MAXQWBYLKDUZNI-QGZVFWFLSA-N 1 1 290.407 2.955 40 0 CFABMO Cc1ccc(CN2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)o1 ZINC000096053731 185074253 /nfs/dbraw/zinc/07/42/53/185074253.db2.gz ZIDDQGPVLYOTBE-IRXDYDNUSA-N 1 1 297.402 2.547 40 0 CFABMO C[N@H+]1CCCCC12CCN(Cc1ccccn1)CC2 ZINC000096051199 185074849 /nfs/dbraw/zinc/07/48/49/185074849.db2.gz LYEOCDJMDJEREY-UHFFFAOYSA-N 1 1 259.397 2.532 40 0 CFABMO Fc1cccc(CN2C[C@@H]3C[N@H+](CC4CC4)C[C@@H]3C2)c1 ZINC000096053900 185075407 /nfs/dbraw/zinc/07/54/07/185075407.db2.gz OHHSYLQWTGNDPL-IYBDPMFKSA-N 1 1 274.383 2.599 40 0 CFABMO CCOC[C@@H]1C[N@@H+](CC2CC2)Cc2cn(CC3CC3)nc21 ZINC000096059976 185081845 /nfs/dbraw/zinc/08/18/45/185081845.db2.gz VDURKSXSACDKCP-INIZCTEOSA-N 1 1 289.423 2.639 40 0 CFABMO CN1CC[N@H+](Cc2ccc(F)cc2)Cc2cccnc21 ZINC000096060907 185082719 /nfs/dbraw/zinc/08/27/19/185082719.db2.gz GHPUQHULWJMUEF-UHFFFAOYSA-N 1 1 271.339 2.673 40 0 CFABMO CN1CC[N@@H+](Cc2ccc(F)cc2)Cc2cccnc21 ZINC000096060907 185082720 /nfs/dbraw/zinc/08/27/20/185082720.db2.gz GHPUQHULWJMUEF-UHFFFAOYSA-N 1 1 271.339 2.673 40 0 CFABMO CCOC[C@H]1Cn2ccnc2C[N@H+](CCc2ccccc2)C1 ZINC000096066817 185084693 /nfs/dbraw/zinc/08/46/93/185084693.db2.gz BRKXUNBRKFTLSX-QGZVFWFLSA-N 1 1 299.418 2.594 40 0 CFABMO CCOC[C@H]1Cn2ccnc2C[N@@H+](CCc2ccccc2)C1 ZINC000096066817 185084695 /nfs/dbraw/zinc/08/46/95/185084695.db2.gz BRKXUNBRKFTLSX-QGZVFWFLSA-N 1 1 299.418 2.594 40 0 CFABMO c1cncc(OCc2cncc3c2CC[N@@H+](CC2CC2)C3)c1 ZINC000096067369 185085783 /nfs/dbraw/zinc/08/57/83/185085783.db2.gz GNGLGHQVFZYTKG-UHFFFAOYSA-N 1 1 295.386 2.824 40 0 CFABMO CC(C)[C@@H]1CO[C@@]2(CC[N@@H+](Cc3cccnc3)C2)C1 ZINC000096072029 185086419 /nfs/dbraw/zinc/08/64/19/185086419.db2.gz OKIOQHKJNOSDFC-HOTGVXAUSA-N 1 1 260.381 2.719 40 0 CFABMO C[N@H+]1CCCC12CCN(Cc1ccccc1F)CC2 ZINC000096075197 185089679 /nfs/dbraw/zinc/08/96/79/185089679.db2.gz KSOLQYXGRLCFOA-UHFFFAOYSA-N 1 1 262.372 2.886 40 0 CFABMO CNc1nc(N2Cc3ccccc3C[C@@H]2C)cc(C2CC2)[nH+]1 ZINC000328993168 136377156 /nfs/dbraw/zinc/37/71/56/136377156.db2.gz IZNNAROMXOEZOE-LBPRGKRZSA-N 1 1 294.402 2.769 40 0 CFABMO O=C(OC[C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccncc1 ZINC000005705281 346212378 /nfs/dbraw/zinc/21/23/78/346212378.db2.gz KFIZLPOAJRUESW-HUUCEWRRSA-N 1 1 274.364 2.503 40 0 CFABMO COC(=O)[C@@](C)(c1ccccc1)[N@H+]1CCC[C@H](C)C1 ZINC000109051815 347744586 /nfs/dbraw/zinc/74/45/86/347744586.db2.gz HWRSLXQXYZTRKB-XJKSGUPXSA-N 1 1 261.365 2.807 40 0 CFABMO [NH2+]=C(NO)[C@H](c1cccc(Br)c1)n1cccc1 ZINC000409438969 348602182 /nfs/dbraw/zinc/60/21/82/348602182.db2.gz FIROXKSNOMAJFM-NSHDSACASA-N 1 1 294.152 2.796 40 0 CFABMO c1ccc([C@H](C2CCSCC2)[NH+]2CCNCC2)cc1 ZINC000409442087 348602269 /nfs/dbraw/zinc/60/22/69/348602269.db2.gz STKXJQRINDDBFA-MRXNPFEDSA-N 1 1 276.449 2.776 40 0 CFABMO CN(C(=O)OC(C)(C)C)[C@H](C(=[NH2+])NO)c1cccs1 ZINC000409441776 348602619 /nfs/dbraw/zinc/60/26/19/348602619.db2.gz QRWMEKWGAJSLAN-VIFPVBQESA-N 1 1 285.369 2.612 40 0 CFABMO COC[C@@H]1CCC[C@]12C[N@H+](Cc1ccsc1)CCO2 ZINC000107195181 186162101 /nfs/dbraw/zinc/16/21/01/186162101.db2.gz PDKNWDIORSDJHV-GJZGRUSLSA-N 1 1 281.421 2.766 40 0 CFABMO COC[C@@H]1CCC[C@]12C[N@@H+](Cc1ccsc1)CCO2 ZINC000107195181 186162102 /nfs/dbraw/zinc/16/21/02/186162102.db2.gz PDKNWDIORSDJHV-GJZGRUSLSA-N 1 1 281.421 2.766 40 0 CFABMO O=C1[C@@H]2C[N@@H+](Cc3ccsc3)C[C@@H]2CN1c1ccccc1 ZINC000107742857 186189049 /nfs/dbraw/zinc/18/90/49/186189049.db2.gz GBXOLJUGJKBEIV-GDBMZVCRSA-N 1 1 298.411 2.843 40 0 CFABMO O=C1NCC[C@@]12CCC[N@H+](Cc1ccc(Cl)cc1)CC2 ZINC000108535259 186222433 /nfs/dbraw/zinc/22/24/33/186222433.db2.gz STDMBEIVWXSYQL-MRXNPFEDSA-N 1 1 292.810 2.832 40 0 CFABMO CNC(=O)[C@H]1CCC[C@@]12CC[N@@H+](Cc1ccccc1F)C2 ZINC000108535634 186222689 /nfs/dbraw/zinc/22/26/89/186222689.db2.gz CRHJRCCHXPVQGF-PBHICJAKSA-N 1 1 290.382 2.564 40 0 CFABMO C[N@H+]1CCCC[C@H](CNC(=O)NC[C@H]2CCC[C@@H](F)C2)C1 ZINC000685939058 539988211 /nfs/dbraw/zinc/98/82/11/539988211.db2.gz BXMBZPLOZWNGCA-RRFJBIMHSA-N 1 1 299.434 2.546 40 0 CFABMO C[NH+](C)CCN[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000019367680 372158740 /nfs/dbraw/zinc/15/87/40/372158740.db2.gz YKMZEBJFTJPMGZ-ZWKOTPCHSA-N 1 1 284.403 2.613 40 0 CFABMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(F)cc1F ZINC000019575118 372176811 /nfs/dbraw/zinc/17/68/11/372176811.db2.gz GJTSGSCKRTWULI-RISCZKNCSA-N 1 1 266.335 2.633 40 0 CFABMO C[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2Cl)C1 ZINC000026919749 372330463 /nfs/dbraw/zinc/33/04/63/372330463.db2.gz PZHMKCPFKTYWHY-QWHCGFSZSA-N 1 1 283.799 2.812 40 0 CFABMO C[C@@H]1CCC[N@@H+](CCCNC(=O)Cc2cccs2)C1 ZINC000046958823 373071842 /nfs/dbraw/zinc/07/18/42/373071842.db2.gz ZUAZZRGWSDQKDO-CYBMUJFWSA-N 1 1 280.437 2.529 40 0 CFABMO CC(C)(C)C[N@H+]1CC[C@H](c2nnc(-c3cccnc3)o2)C1 ZINC000049169690 373272955 /nfs/dbraw/zinc/27/29/55/373272955.db2.gz FFTCAZJFIYXOHM-ZDUSSCGKSA-N 1 1 286.379 2.967 40 0 biogenic,in-vitro CFABMO Cc1nnc([C@H]2CC[N@@H+](CCCc3ccccc3)C2)o1 ZINC000049169203 373273077 /nfs/dbraw/zinc/27/30/77/373273077.db2.gz TVQRMEZNHDAKDO-HNNXBMFYSA-N 1 1 271.364 2.800 40 0 biogenic,in-vitro CFABMO Cn1c2ccccc2nc1[C@H]1CC[N@H+](C2CCOCC2)C1 ZINC000049171199 373275742 /nfs/dbraw/zinc/27/57/42/373275742.db2.gz GZNHRCCMKJKKOJ-ZDUSSCGKSA-N 1 1 285.391 2.542 40 0 biogenic,in-vitro CFABMO OC[C@H]1CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000051886645 373414709 /nfs/dbraw/zinc/41/47/09/373414709.db2.gz MWYWEQWLWANNDL-JTQLQIEISA-N 1 1 260.164 2.808 40 0 CFABMO OC[C@H]1CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000051886645 373414718 /nfs/dbraw/zinc/41/47/18/373414718.db2.gz MWYWEQWLWANNDL-JTQLQIEISA-N 1 1 260.164 2.808 40 0 CFABMO CC(C)[N@H+]1CCC[C@H]1c1ccnc(Nc2cncnc2)n1 ZINC000072377467 374246520 /nfs/dbraw/zinc/24/65/20/374246520.db2.gz KXORBZJHSKRQAL-AWEZNQCLSA-N 1 1 284.367 2.556 40 0 CFABMO CNc1cccc(C2CCN(c3cc(C)ncn3)CC2)[nH+]1 ZINC000072364103 374247409 /nfs/dbraw/zinc/24/74/09/374247409.db2.gz CARCUTOPPHYULH-UHFFFAOYSA-N 1 1 283.379 2.606 40 0 CFABMO C[N@H+]1CCC[C@@H](C(=O)NCCCc2ccccc2Cl)C1 ZINC000073471498 374343894 /nfs/dbraw/zinc/34/38/94/374343894.db2.gz MDAGRMDIVIDFKX-CQSZACIVSA-N 1 1 294.826 2.731 40 0 CFABMO CC(C)[N@H+](Cc1ccccc1)C[C@@H]1CCCN(CCO)C1 ZINC000079414303 374610498 /nfs/dbraw/zinc/61/04/98/374610498.db2.gz FIQOVIZBRXHEGB-GOSISDBHSA-N 1 1 290.451 2.601 40 0 CFABMO OC[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000092763593 375150394 /nfs/dbraw/zinc/15/03/94/375150394.db2.gz RQRLTCAHFWWBEP-SECBINFHSA-N 1 1 260.164 2.808 40 0 CFABMO OC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000092763593 375150399 /nfs/dbraw/zinc/15/03/99/375150399.db2.gz RQRLTCAHFWWBEP-SECBINFHSA-N 1 1 260.164 2.808 40 0 CFABMO CC[C@H](C)Oc1c(C)cc(-c2noc(C[NH3+])n2)cc1C ZINC000095095341 375413462 /nfs/dbraw/zinc/41/34/62/375413462.db2.gz BIXGHTRJMVFNSJ-NSHDSACASA-N 1 1 275.352 2.989 40 0 CFABMO O=C1CC[C@H]2[C@H](CC[N@H+]2Cc2ccccc2)N1CC1CC1 ZINC000096186271 375474585 /nfs/dbraw/zinc/47/45/85/375474585.db2.gz DNHYFMDLAUMMNB-IRXDYDNUSA-N 1 1 284.403 2.662 40 0 CFABMO Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3Cc2ccccn2)o1 ZINC000096184669 375474719 /nfs/dbraw/zinc/47/47/19/375474719.db2.gz YKHLFDRCMBYROZ-MSOLQXFVSA-N 1 1 297.402 2.832 40 0 CFABMO Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccccn2)o1 ZINC000096184669 375474727 /nfs/dbraw/zinc/47/47/27/375474727.db2.gz YKHLFDRCMBYROZ-MSOLQXFVSA-N 1 1 297.402 2.832 40 0 CFABMO Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2ccccn2)o1 ZINC000096184669 375474731 /nfs/dbraw/zinc/47/47/31/375474731.db2.gz YKHLFDRCMBYROZ-MSOLQXFVSA-N 1 1 297.402 2.832 40 0 CFABMO O=C1CC[C@H]2[C@H](CC[N@H+]2CCc2ccccc2)N1CC1CC1 ZINC000096186291 375475202 /nfs/dbraw/zinc/47/52/02/375475202.db2.gz HYOBAEOGGCCTHV-ROUUACIJSA-N 1 1 298.430 2.704 40 0 CFABMO c1cc(CN2CC3(C2)CC[N@@H+](Cc2cccnc2)C3)cs1 ZINC000096202505 375476742 /nfs/dbraw/zinc/47/67/42/375476742.db2.gz GYHDCBUNBJKROD-UHFFFAOYSA-N 1 1 299.443 2.851 40 0 CFABMO c1ccc(N[C@H]2CCO[C@]3(CC[N@H+](CC4CC4)C3)C2)nc1 ZINC000096207236 375477352 /nfs/dbraw/zinc/47/73/52/375477352.db2.gz HBISVXAWTFDWKW-DOTOQJQBSA-N 1 1 287.407 2.527 40 0 CFABMO c1cc(C[N@H+]2CCC3(CN(c4ccccn4)C3)C2)cs1 ZINC000096202748 375477863 /nfs/dbraw/zinc/47/78/63/375477863.db2.gz ZJTLSQKEDBXFLV-UHFFFAOYSA-N 1 1 285.416 2.855 40 0 CFABMO CCCn1nccc1C[NH2+]Cc1cnn(C2CCCC2)c1 ZINC000256055206 190005339 /nfs/dbraw/zinc/00/53/39/190005339.db2.gz ZSBWIRLNOGFKKW-UHFFFAOYSA-N 1 1 287.411 2.895 40 0 CFABMO CC(C)Cn1cc(C[NH2+]Cc2ccnn2CC(C)C)cn1 ZINC000256051041 190003746 /nfs/dbraw/zinc/00/37/46/190003746.db2.gz HMJNNMGWWVRCKZ-UHFFFAOYSA-N 1 1 289.427 2.681 40 0 CFABMO CCn1nccc1C[NH2+]Cc1cnn(C2CCCC2)c1 ZINC000256055015 190005727 /nfs/dbraw/zinc/00/57/27/190005727.db2.gz YUSHDXJOINUWEU-UHFFFAOYSA-N 1 1 273.384 2.504 40 0 CFABMO Cc1ccc(C[N@H+]2CC[C@H](c3nc(C)cc(C)n3)C2)cn1 ZINC000257202392 190010464 /nfs/dbraw/zinc/01/04/64/190010464.db2.gz ALPAWPJXUMZXBG-INIZCTEOSA-N 1 1 282.391 2.786 40 0 CFABMO Cc1n[nH]cc1-c1nccnc1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000257209943 190012027 /nfs/dbraw/zinc/01/20/27/190012027.db2.gz BSMWJZJQMGICDD-AWEZNQCLSA-N 1 1 299.422 2.838 40 0 CFABMO Cc1cn(C)c([C@H]2CCC[N@H+](Cc3cscn3)C2)n1 ZINC000257229985 190016480 /nfs/dbraw/zinc/01/64/80/190016480.db2.gz GAFRTRGPSAPAMJ-LBPRGKRZSA-N 1 1 276.409 2.565 40 0 CFABMO Cc1cn(C)c([C@H]2CCC[N@@H+](Cc3cscn3)C2)n1 ZINC000257229985 190016481 /nfs/dbraw/zinc/01/64/81/190016481.db2.gz GAFRTRGPSAPAMJ-LBPRGKRZSA-N 1 1 276.409 2.565 40 0 CFABMO CCCn1cc(C[N@H+]2CCC[C@H](c3ccnc(C)n3)C2)cn1 ZINC000257232765 190016781 /nfs/dbraw/zinc/01/67/81/190016781.db2.gz GMICZUMVTBAYPJ-INIZCTEOSA-N 1 1 299.422 2.771 40 0 CFABMO CNc1cc([C@H]2CCC[N@@H+]2Cc2cncs2)nc(C)n1 ZINC000257220398 190014658 /nfs/dbraw/zinc/01/46/58/190014658.db2.gz DKQWIYULPJKTSF-CYBMUJFWSA-N 1 1 289.408 2.620 40 0 CFABMO CNc1cc([C@H]2CCC[N@H+]2Cc2cncs2)nc(C)n1 ZINC000257220398 190014659 /nfs/dbraw/zinc/01/46/59/190014659.db2.gz DKQWIYULPJKTSF-CYBMUJFWSA-N 1 1 289.408 2.620 40 0 CFABMO Cc1cnc([C@@H]2C[N@H+](CCCc3ccccc3)CCO2)cn1 ZINC000257253051 190020706 /nfs/dbraw/zinc/02/07/06/190020706.db2.gz JXKCSEFLXGHCGS-SFHVURJKSA-N 1 1 297.402 2.791 40 0 CFABMO Cc1cnc([C@@H]2C[N@@H+](CCCc3ccccc3)CCO2)cn1 ZINC000257253051 190020707 /nfs/dbraw/zinc/02/07/07/190020707.db2.gz JXKCSEFLXGHCGS-SFHVURJKSA-N 1 1 297.402 2.791 40 0 CFABMO CN(C)c1cncc([C@H]2CCC[N@@H+]2Cc2ccsc2)n1 ZINC000257264827 190023532 /nfs/dbraw/zinc/02/35/32/190023532.db2.gz LWDIWDVTZQGDEU-CQSZACIVSA-N 1 1 288.420 2.941 40 0 CFABMO CN(C)c1cncc([C@H]2CCC[N@H+]2Cc2ccsc2)n1 ZINC000257264827 190023533 /nfs/dbraw/zinc/02/35/33/190023533.db2.gz LWDIWDVTZQGDEU-CQSZACIVSA-N 1 1 288.420 2.941 40 0 CFABMO Cc1cc(C)nc([C@@H]2CC[N@@H+](Cc3ncccc3C)C2)n1 ZINC000257254250 190021029 /nfs/dbraw/zinc/02/10/29/190021029.db2.gz KCIBXFXBRYFYBJ-OAHLLOKOSA-N 1 1 282.391 2.786 40 0 CFABMO Cc1nc[nH]c1C[N@H+]1CCC[C@H]1c1ccnc(N(C)C)c1 ZINC000257256177 190021801 /nfs/dbraw/zinc/02/18/01/190021801.db2.gz KKJNHTZYSXXXBN-HNNXBMFYSA-N 1 1 285.395 2.516 40 0 CFABMO Cc1nc[nH]c1C[N@@H+]1CCC[C@H]1c1ccnc(N(C)C)c1 ZINC000257256177 190021802 /nfs/dbraw/zinc/02/18/02/190021802.db2.gz KKJNHTZYSXXXBN-HNNXBMFYSA-N 1 1 285.395 2.516 40 0 CFABMO Cc1cccc(C[C@H]2CCC[N@@H+](Cc3cncnc3)C2)n1 ZINC000257262589 190022039 /nfs/dbraw/zinc/02/20/39/190022039.db2.gz LMACROFDHJAITL-OAHLLOKOSA-N 1 1 282.391 2.635 40 0 CFABMO COc1ccc([C@@H]2C[N@H+](Cc3ccccn3)CCN2C)cc1 ZINC000257260606 190022606 /nfs/dbraw/zinc/02/26/06/190022606.db2.gz LDNRCPTUOHMSOH-SFHVURJKSA-N 1 1 297.402 2.579 40 0 CFABMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccn3)CCN2C)cc1 ZINC000257260606 190022607 /nfs/dbraw/zinc/02/26/07/190022607.db2.gz LDNRCPTUOHMSOH-SFHVURJKSA-N 1 1 297.402 2.579 40 0 CFABMO Cc1ccc(C[C@H]2CCC[N@@H+](Cc3cnccn3)C2)cn1 ZINC000257273895 190024708 /nfs/dbraw/zinc/02/47/08/190024708.db2.gz NIQMGHBSFNOQFT-MRXNPFEDSA-N 1 1 282.391 2.635 40 0 CFABMO CNc1ncccc1C[N@H+]1CCC[C@H](Cc2ccccn2)C1 ZINC000257276340 190025094 /nfs/dbraw/zinc/02/50/94/190025094.db2.gz NTGVEYXMADBDPA-OAHLLOKOSA-N 1 1 296.418 2.973 40 0 CFABMO Cc1ccc(C[C@H]2CCC[N@H+](C3CCOCC3)C2)cn1 ZINC000257290227 190028077 /nfs/dbraw/zinc/02/80/77/190028077.db2.gz QCCDCFRTTQYIDM-MRXNPFEDSA-N 1 1 274.408 2.824 40 0 CFABMO c1ccc(O[C@@H]2C[C@H]3C[N@@H+](C4CCOCC4)C[C@H]3C2)cc1 ZINC000257292463 190028096 /nfs/dbraw/zinc/02/80/96/190028096.db2.gz QLOHBIBESILISL-HWWDLCQESA-N 1 1 287.403 2.955 40 0 CFABMO Cc1cccnc1C[N@@H+]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000257300805 190029229 /nfs/dbraw/zinc/02/92/29/190029229.db2.gz RVSWXXOCZFCNOX-GOSISDBHSA-N 1 1 281.403 2.879 40 0 CFABMO Cc1cccnc1CN1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000257300805 190029231 /nfs/dbraw/zinc/02/92/31/190029231.db2.gz RVSWXXOCZFCNOX-GOSISDBHSA-N 1 1 281.403 2.879 40 0 CFABMO Cc1cnc([C@@H]2CCC[N@@H+](Cc3cnccn3)C2)s1 ZINC000257300747 190029608 /nfs/dbraw/zinc/02/96/08/190029608.db2.gz RVNRJUKPVAENEM-GFCCVEGCSA-N 1 1 274.393 2.621 40 0 CFABMO Cc1nn(C)c(C)c1C[N@H+]1CCN(C)[C@H](c2ccccc2)C1 ZINC000257297970 190029936 /nfs/dbraw/zinc/02/99/36/190029936.db2.gz RJOHCVKBIQDJTJ-SFHVURJKSA-N 1 1 298.434 2.526 40 0 CFABMO Cc1nn(C)c(C)c1CN1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000257297970 190029937 /nfs/dbraw/zinc/02/99/37/190029937.db2.gz RJOHCVKBIQDJTJ-SFHVURJKSA-N 1 1 298.434 2.526 40 0 CFABMO Cc1nn(C)c(C)c1CN1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000257297970 190029938 /nfs/dbraw/zinc/02/99/38/190029938.db2.gz RJOHCVKBIQDJTJ-SFHVURJKSA-N 1 1 298.434 2.526 40 0 CFABMO c1[nH]nc2nc([C@@H]3CCC[N@H+](Cc4ccccn4)C3)ccc12 ZINC000257302154 190030243 /nfs/dbraw/zinc/03/02/43/190030243.db2.gz SBSQGFXSLMGQPF-CQSZACIVSA-N 1 1 293.374 2.733 40 0 CFABMO Cc1ccnc([C@H]2CC[N@@H+](CCc3ccccc3)C2)n1 ZINC000257316342 190032606 /nfs/dbraw/zinc/03/26/06/190032606.db2.gz VFDYRHKPDYQOEQ-INIZCTEOSA-N 1 1 267.376 2.817 40 0 CFABMO Cc1cncc(C[N@H+]2CCC[C@H](c3ccncn3)C2)c1 ZINC000257316412 190032742 /nfs/dbraw/zinc/03/27/42/190032742.db2.gz VFMJWJWPLDBGOD-HNNXBMFYSA-N 1 1 268.364 2.560 40 0 CFABMO Cc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2nccn2C(C)C)C1 ZINC000257344456 190037527 /nfs/dbraw/zinc/03/75/27/190037527.db2.gz ZXHCKEUOLPSDOC-CQSZACIVSA-N 1 1 287.411 2.875 40 0 CFABMO Cc1cncc(C[N@H+]2CCC[C@@H](c3ccncn3)C2)c1 ZINC000257316413 190033026 /nfs/dbraw/zinc/03/30/26/190033026.db2.gz VFMJWJWPLDBGOD-OAHLLOKOSA-N 1 1 268.364 2.560 40 0 CFABMO Cc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2nccn2C(C)C)C1 ZINC000257344456 190037528 /nfs/dbraw/zinc/03/75/28/190037528.db2.gz ZXHCKEUOLPSDOC-CQSZACIVSA-N 1 1 287.411 2.875 40 0 CFABMO CCCn1nccc1-c1cc(C[C@H]2CC[N@@H+](C)C2)ccn1 ZINC000257328880 190035039 /nfs/dbraw/zinc/03/50/39/190035039.db2.gz XHLLKEZRIVYSJO-OAHLLOKOSA-N 1 1 284.407 2.849 40 0 CFABMO N[C@H]1CCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1OC1CCCC1 ZINC000218886334 382791293 /nfs/dbraw/zinc/79/12/93/382791293.db2.gz VSMZIVJWKZRLRD-JJXSEGSLSA-N 1 1 266.429 2.726 40 0 CFABMO CC(C)NC(=O)c1cc(N)ccc1[NH+]1CCCCCC1 ZINC000225486169 382817373 /nfs/dbraw/zinc/81/73/73/382817373.db2.gz DOHNIGAOQMNBPC-UHFFFAOYSA-N 1 1 275.396 2.787 40 0 CFABMO C[N@@H+]1CCN2c3ccc(O)cc3Cc3ccccc3[C@H]2C1 ZINC000245190604 382995854 /nfs/dbraw/zinc/99/58/54/382995854.db2.gz YTMQIPGEXLWJTN-GOSISDBHSA-N 1 1 280.371 2.790 40 0 CFABMO C[N@H+]1CCN2c3ccc(O)cc3Cc3ccccc3[C@H]2C1 ZINC000245190604 382995856 /nfs/dbraw/zinc/99/58/56/382995856.db2.gz YTMQIPGEXLWJTN-GOSISDBHSA-N 1 1 280.371 2.790 40 0 CFABMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]1(CO)C(F)(F)F ZINC000253380275 383453707 /nfs/dbraw/zinc/45/37/07/383453707.db2.gz YRQQNNUMEBZONG-DGCLKSJQSA-N 1 1 273.298 2.679 40 0 CFABMO Cc1nc([C@H]2CCC[N@H+](C)C2)cc(C(F)(F)F)n1 ZINC000257212613 383493514 /nfs/dbraw/zinc/49/35/14/383493514.db2.gz CEFKLXVTBNRLJY-VIFPVBQESA-N 1 1 259.275 2.613 40 0 CFABMO Cc1c[nH]nc1C[C@H]1CCCN(c2ccc(C)c[nH+]2)C1 ZINC000257294398 383494925 /nfs/dbraw/zinc/49/49/25/383494925.db2.gz QTYIDAKKNSLWAP-CQSZACIVSA-N 1 1 270.380 2.881 40 0 CFABMO Cc1ccc(C)c([C@@H](C)NC(=O)[C@H]2CCC[N@@H+](C)C2)c1 ZINC000081230099 177782158 /nfs/dbraw/zinc/78/21/58/177782158.db2.gz GUYHWWFUCVDRIW-CABCVRRESA-N 1 1 274.408 2.822 40 0 CFABMO O[C@@H]1C[C@@H]2CCC[N@@H+]3CCc4c5ccccc5n1c4[C@@H]23 ZINC000036457832 285334224 /nfs/dbraw/zinc/33/42/24/285334224.db2.gz KOIGYXJOGRVNIS-IUIKQTSFSA-N 1 1 268.360 2.845 40 0 in-man CFABMO O[C@@H]1C[C@@H]2CCC[N@H+]3CCc4c5ccccc5n1c4[C@@H]23 ZINC000036457832 285334232 /nfs/dbraw/zinc/33/42/32/285334232.db2.gz KOIGYXJOGRVNIS-IUIKQTSFSA-N 1 1 268.360 2.845 40 0 in-man CFABMO [NH3+][C@@H]1C(=O)N(c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000072227375 393647039 /nfs/dbraw/zinc/64/70/39/393647039.db2.gz MXDGLYMDLNKZRH-KBPBESRZSA-N 1 1 272.735 2.755 40 0 CFABMO CCC(=O)c1cnc(N2CC[NH+](C(C)C)CC2)cc1C ZINC000072223703 393647207 /nfs/dbraw/zinc/64/72/07/393647207.db2.gz KXMRBYTZFAOUKT-UHFFFAOYSA-N 1 1 275.396 2.513 40 0 CFABMO [NH3+][C@@H]1C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccc1F ZINC000072227982 393648420 /nfs/dbraw/zinc/64/84/20/393648420.db2.gz XBPBJCHOWUXGAO-UONOGXRCSA-N 1 1 290.725 2.894 40 0 CFABMO Cc1ccc(N2C(=O)[C@H]([NH3+])[C@@H]2c2ccccc2F)cc1C ZINC000072227873 393648565 /nfs/dbraw/zinc/64/85/65/393648565.db2.gz NQNJWJLXGQDUPA-CVEARBPZSA-N 1 1 284.334 2.858 40 0 CFABMO Cc1ccc([C@@H]2[C@@H]([NH3+])C(=O)N2c2cccc(F)c2)cc1 ZINC000072227616 393649131 /nfs/dbraw/zinc/64/91/31/393649131.db2.gz WOMPVWRUFANJAV-HUUCEWRRSA-N 1 1 270.307 2.549 40 0 CFABMO CCc1ccc([C@H]2[C@@H]([NH3+])C(=O)N2c2cccc(F)c2)cc1 ZINC000072227653 393649206 /nfs/dbraw/zinc/64/92/06/393649206.db2.gz DGVDVBRSIKTQSD-CVEARBPZSA-N 1 1 284.334 2.803 40 0 CFABMO [NH3+][C@H]1C(=O)N(Cc2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000072228161 393650543 /nfs/dbraw/zinc/65/05/43/393650543.db2.gz DRXZGKTXHJPOLL-CABCVRRESA-N 1 1 286.762 2.751 40 0 CFABMO Cc1ccc([C@@H]([NH3+])c2nc(-c3ccccc3F)n[nH]2)cc1 ZINC000095534137 393813208 /nfs/dbraw/zinc/81/32/08/393813208.db2.gz DVNGERCDPPFZLE-CQSZACIVSA-N 1 1 282.322 2.967 40 0 CFABMO CN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cccc(F)c1)CC2 ZINC000585100222 395100319 /nfs/dbraw/zinc/10/03/19/395100319.db2.gz IBBJLTQOXFDWFS-QGZVFWFLSA-N 1 1 290.382 2.803 40 0 CFABMO COC(=O)[C@H](Cc1ccc(C)cc1)[NH+]1CCCCC1 ZINC000001698289 169744358 /nfs/dbraw/zinc/74/43/58/169744358.db2.gz VBLZFOPVEJKPHX-HNNXBMFYSA-N 1 1 261.365 2.565 40 0 CFABMO OC[C@@H]1C[C@H](c2ccccn2)C[N@@H+](Cc2ccccc2)C1 ZINC000004707532 170003105 /nfs/dbraw/zinc/00/31/05/170003105.db2.gz LDDTWGVJUHYAPN-SJORKVTESA-N 1 1 282.387 2.680 40 0 CFABMO CCn1c(CCc2nc3ccccc3[nH]2)n[n-]c1=S ZINC000006493577 170206402 /nfs/dbraw/zinc/20/64/02/170206402.db2.gz DSKOLHQVJYALQT-UHFFFAOYSA-N 1 1 273.365 2.622 40 0 CFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccco2)cc1 ZINC000020486866 171225820 /nfs/dbraw/zinc/22/58/20/171225820.db2.gz FKQYNPDLWMOMBN-UHFFFAOYSA-N 1 1 281.315 2.704 40 0 CFABMO CCN(CC)CC[NH2+]Cc1cc(Cl)ccc1OC ZINC000022076442 171352274 /nfs/dbraw/zinc/35/22/74/171352274.db2.gz AIFCWJRUFJPQFN-UHFFFAOYSA-N 1 1 270.804 2.780 40 0 CFABMO O[C@@H](c1ccccc1)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000031715967 171644126 /nfs/dbraw/zinc/64/41/26/171644126.db2.gz BQRBHUBJRJBXPF-ROUUACIJSA-N 1 1 283.371 2.794 40 0 CFABMO CC[NH+](CC)[C@@H](CN)c1ccc(Br)cc1 ZINC000038860410 174158369 /nfs/dbraw/zinc/15/83/69/174158369.db2.gz PXWLPGDCHNEVJU-LBPRGKRZSA-N 1 1 271.202 2.791 40 0 CFABMO OC[C@H]1CCC[N@H+](Cc2ccc(Br)s2)C1 ZINC000043677522 175088305 /nfs/dbraw/zinc/08/83/05/175088305.db2.gz AJWHFLJZKVCXPS-VIFPVBQESA-N 1 1 290.226 2.715 40 0 CFABMO OC[C@H]1CCC[N@@H+](Cc2ccc(Br)s2)C1 ZINC000043677522 175088306 /nfs/dbraw/zinc/08/83/06/175088306.db2.gz AJWHFLJZKVCXPS-VIFPVBQESA-N 1 1 290.226 2.715 40 0 CFABMO C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000044137712 175146039 /nfs/dbraw/zinc/14/60/39/175146039.db2.gz AZWYVTAQBOKVTA-UHFFFAOYSA-N 1 1 264.369 2.643 40 0 CFABMO C[N@H+]1CCC[C@@H]1c1ccc(-c2cccc(C(N)=O)c2)cn1 ZINC000072352976 176374353 /nfs/dbraw/zinc/37/43/53/176374353.db2.gz ZBKJARRUDTWKMB-MRXNPFEDSA-N 1 1 281.359 2.614 40 0 CFABMO COc1ccccc1-c1cncc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000072359272 176376697 /nfs/dbraw/zinc/37/66/97/176376697.db2.gz HFSDQNBLZIXDMW-ZDUSSCGKSA-N 1 1 283.375 2.961 40 0 CFABMO c1cc(C2CC[NH+](CCc3ccccc3)CC2)[nH]n1 ZINC000072363739 176378439 /nfs/dbraw/zinc/37/84/39/176378439.db2.gz UITWNBWTQBLTLG-UHFFFAOYSA-N 1 1 255.365 2.832 40 0 CFABMO Cc1cccc([C@@H]2CCC[N@H+](Cc3cnn(C)c3)C2)n1 ZINC000072364282 176378627 /nfs/dbraw/zinc/37/86/27/176378627.db2.gz LRFJBPVFYSGYLY-OAHLLOKOSA-N 1 1 270.380 2.503 40 0 CFABMO Cc1cccc([C@H]2CCC[N@H+](Cc3cnn(C)c3)C2)n1 ZINC000072364283 176379146 /nfs/dbraw/zinc/37/91/46/176379146.db2.gz LRFJBPVFYSGYLY-HNNXBMFYSA-N 1 1 270.380 2.503 40 0 CFABMO c1cc(C[N@H+]2CCC[C@@H](c3cnccn3)C2)cs1 ZINC000072369369 176384364 /nfs/dbraw/zinc/38/43/64/176384364.db2.gz XESIHCYDBXUAQB-CYBMUJFWSA-N 1 1 259.378 2.918 40 0 CFABMO CCc1nccn1-c1cccc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000072379099 176385958 /nfs/dbraw/zinc/38/59/58/176385958.db2.gz MBVWYFWVKYTOOA-CYBMUJFWSA-N 1 1 270.380 2.639 40 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c1cc(C[N@H+]2CCC[C@H](c3ccncn3)C2)cs1 ZINC000257322041 190033829 /nfs/dbraw/zinc/03/38/29/190033829.db2.gz WEIVEACUPAFQOX-ZDUSSCGKSA-N 1 1 259.378 2.918 40 0 CFABMO CC(C)[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2Cc1ncccn1 ZINC000257326411 190034674 /nfs/dbraw/zinc/03/46/74/190034674.db2.gz WXDDGVWWFDDTCB-RBSFLKMASA-N 1 1 259.397 2.776 40 0 CFABMO CNc1cc([C@@H]2CCC[N@H+]2Cc2cccnc2)ccn1 ZINC000257340216 190037049 /nfs/dbraw/zinc/03/70/49/190037049.db2.gz ZFCLNCQETPYXLN-HNNXBMFYSA-N 1 1 268.364 2.855 40 0 CFABMO CO[C@H]1C[N@H+](Cc2cc(F)ccc2F)CC[C@@]12CCCO2 ZINC000257340660 190037178 /nfs/dbraw/zinc/03/71/78/190037178.db2.gz ZHCDBPMRSIIDPB-HOTGVXAUSA-N 1 1 297.345 2.735 40 0 CFABMO CO[C@H]1C[N@@H+](Cc2cc(F)ccc2F)CC[C@@]12CCCO2 ZINC000257340660 190037179 /nfs/dbraw/zinc/03/71/79/190037179.db2.gz ZHCDBPMRSIIDPB-HOTGVXAUSA-N 1 1 297.345 2.735 40 0 CFABMO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CC ZINC000148212741 378256334 /nfs/dbraw/zinc/25/63/34/378256334.db2.gz SSUNIEBHQGPUCV-HUUCEWRRSA-N 1 1 261.365 2.708 40 0 CFABMO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000228961936 382849564 /nfs/dbraw/zinc/84/95/64/382849564.db2.gz NCORCCNGHBEPQG-HNNXBMFYSA-N 1 1 291.391 2.619 40 0 CFABMO C[NH+](C)[C@@H](C(=O)NCC1CCCCC1)c1ccccc1 ZINC000225204788 382813145 /nfs/dbraw/zinc/81/31/45/382813145.db2.gz FBWUDENUXBMCFE-MRXNPFEDSA-N 1 1 274.408 2.986 40 0 CFABMO COc1ccc([C@H](C)[N@@H+]2CCN[C@@H]3CCCC[C@@H]32)cc1 ZINC000225715000 382820621 /nfs/dbraw/zinc/82/06/21/382820621.db2.gz KUSCMGFHXLDZSL-XKQJLSEDSA-N 1 1 274.408 2.973 40 0 CFABMO COc1ccc([C@H](C)[N@H+]2CCN[C@@H]3CCCC[C@@H]32)cc1 ZINC000225715000 382820622 /nfs/dbraw/zinc/82/06/22/382820622.db2.gz KUSCMGFHXLDZSL-XKQJLSEDSA-N 1 1 274.408 2.973 40 0 CFABMO Cc1nc(-c2ncc[nH]2)cc([C@@H]2CC[N@H+](CC(C)C)C2)n1 ZINC000257237338 383493402 /nfs/dbraw/zinc/49/34/02/383493402.db2.gz HGAUCNLWXMAVPX-CYBMUJFWSA-N 1 1 285.395 2.620 40 0 CFABMO CCc1ccc([C@@H]2[C@@H]([NH3+])C(=O)N2c2cccc(F)c2)cc1 ZINC000072227652 256703591 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40 0 CFABMO [NH3+][C@@H]1C(=O)N(c2cccc(F)c2)[C@@H]1c1cccc(Cl)c1 ZINC000072227638 393648971 /nfs/dbraw/zinc/64/89/71/393648971.db2.gz OYTSYIIIGBFYJT-UONOGXRCSA-N 1 1 290.725 2.894 40 0 CFABMO Cc1ccc([C@H]2[C@@H]([NH3+])C(=O)N2c2cccc(F)c2)cc1 ZINC000072227617 393649083 /nfs/dbraw/zinc/64/90/83/393649083.db2.gz WOMPVWRUFANJAV-CABCVRRESA-N 1 1 270.307 2.549 40 0 CFABMO CCc1ccc(N2C(=O)[C@@H]([NH3+])[C@H]2c2ccccc2)cc1 ZINC000072227998 393649168 /nfs/dbraw/zinc/64/91/68/393649168.db2.gz IVAZKTYIERTUMT-JKSUJKDBSA-N 1 1 266.344 2.664 40 0 CFABMO CCc1ccc([C@@H]2[C@H]([NH3+])C(=O)N2Cc2ccccc2)cc1 ZINC000072228166 393650344 /nfs/dbraw/zinc/65/03/44/393650344.db2.gz NQPHOLVDESXGQA-DLBZAZTESA-N 1 1 280.371 2.660 40 0 CFABMO c1ccc(C[N@@H+]2C[C@H]3CN(c4ccccn4)C[C@H]3C2)cc1 ZINC000307010280 397643449 /nfs/dbraw/zinc/64/34/49/397643449.db2.gz NSIHZNIMTGCVJZ-CALCHBBNSA-N 1 1 279.387 2.650 40 0 CFABMO CCOC(=O)c1c(C)nc(C)cc1C[NH+]1CCCCC1 ZINC000005672819 170126971 /nfs/dbraw/zinc/12/69/71/170126971.db2.gz MAJLUWPMDBYRGA-UHFFFAOYSA-N 1 1 276.380 2.861 40 0 CFABMO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@@H+](Cc2ccccc2F)C1 ZINC000006678344 170225363 /nfs/dbraw/zinc/22/53/63/170225363.db2.gz JFDKUIJZUVMRDX-HIFRSBDPSA-N 1 1 298.361 2.607 40 0 CFABMO C[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(Cl)c2)C1 ZINC000009876590 170388448 /nfs/dbraw/zinc/38/84/48/170388448.db2.gz NQCWEVMXQLOYNU-NSHDSACASA-N 1 1 281.787 2.803 40 0 CFABMO [NH3+]CC1CCN(Cc2ccc(Br)s2)CC1 ZINC000019843448 170891173 /nfs/dbraw/zinc/89/11/73/170891173.db2.gz DAZCKFFGNIHWGO-UHFFFAOYSA-N 1 1 289.242 2.681 40 0 CFABMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(N)=S)cc1 ZINC000020160472 171039977 /nfs/dbraw/zinc/03/99/77/171039977.db2.gz NXRZCACJVXUBDQ-NSHDSACASA-N 1 1 263.410 2.717 40 0 CFABMO c1ccc2[nH]c([C@H]3CC[N@H+](Cc4ccncc4)C3)nc2c1 ZINC000035446651 172203403 /nfs/dbraw/zinc/20/34/03/172203403.db2.gz XBAFBMRGRCZMLD-AWEZNQCLSA-N 1 1 278.359 2.947 40 0 biogenic,in-vitro CFABMO [NH3+]CCNc1ccnc2cc(C(F)(F)F)ccc21 ZINC000044628734 175221830 /nfs/dbraw/zinc/22/18/30/175221830.db2.gz JAEDCEBPJIBQDO-UHFFFAOYSA-N 1 1 255.243 2.624 40 0 CFABMO CC(C)[N@H+]1CCC[C@H](c2cncc(Nc3ncccn3)n2)C1 ZINC000072354316 176374796 /nfs/dbraw/zinc/37/47/96/176374796.db2.gz CUCCEJQOJYACKK-ZDUSSCGKSA-N 1 1 298.394 2.598 40 0 CFABMO Cc1ncccc1Oc1cncc([C@H]2CCC[N@@H+]2C)n1 ZINC000072361559 176377446 /nfs/dbraw/zinc/37/74/46/176377446.db2.gz QXIFEBBNMVDHNK-CYBMUJFWSA-N 1 1 270.336 2.739 40 0 CFABMO CC(C)[N@H+]1CCC[C@H](Cc2nccnc2Cl)C1 ZINC000072363355 176377624 /nfs/dbraw/zinc/37/76/24/176377624.db2.gz IQHSSJVBLOQEJV-LLVKDONJSA-N 1 1 253.777 2.793 40 0 CFABMO C[N@H+]1CCC[C@@H](Cc2cnc(-c3ccc(CO)cc3)cn2)C1 ZINC000072365263 176380663 /nfs/dbraw/zinc/38/06/63/176380663.db2.gz GTQXTCIHWSGOOJ-HNNXBMFYSA-N 1 1 297.402 2.520 40 0 CFABMO Fc1ccccc1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000072384960 176388836 /nfs/dbraw/zinc/38/88/36/176388836.db2.gz ZOUJGORIBRJOIA-ZDUSSCGKSA-N 1 1 259.328 2.928 40 0 CFABMO COc1ccccc1C[N@@H+]1CCCC[C@H]1c1ccnc(N)n1 ZINC000072385088 176389534 /nfs/dbraw/zinc/38/95/34/176389534.db2.gz DVFZFRCCXPBICL-HNNXBMFYSA-N 1 1 298.390 2.795 40 0 CFABMO COc1ccccc1C[N@H+]1CCCC[C@H]1c1ccnc(N)n1 ZINC000072385088 176389536 /nfs/dbraw/zinc/38/95/36/176389536.db2.gz DVFZFRCCXPBICL-HNNXBMFYSA-N 1 1 298.390 2.795 40 0 CFABMO CN(C)c1nccc([C@@H]2CCCC[N@@H+]2Cc2cccnc2)n1 ZINC000072385054 176389593 /nfs/dbraw/zinc/38/95/93/176389593.db2.gz CPLJHVSMXXRFAB-INIZCTEOSA-N 1 1 297.406 2.665 40 0 CFABMO CN(C)c1nccc([C@@H]2CCCC[N@H+]2Cc2cccnc2)n1 ZINC000072385054 176389594 /nfs/dbraw/zinc/38/95/94/176389594.db2.gz CPLJHVSMXXRFAB-INIZCTEOSA-N 1 1 297.406 2.665 40 0 CFABMO CNc1ncccc1C[N@@H+]1CCCC[C@@H]1c1ccncn1 ZINC000072386209 176391491 /nfs/dbraw/zinc/39/14/91/176391491.db2.gz ZRARAYPRNBYNKF-OAHLLOKOSA-N 1 1 283.379 2.641 40 0 CFABMO CNc1ncccc1C[N@H+]1CCCC[C@@H]1c1ccncn1 ZINC000072386209 176391493 /nfs/dbraw/zinc/39/14/93/176391493.db2.gz ZRARAYPRNBYNKF-OAHLLOKOSA-N 1 1 283.379 2.641 40 0 CFABMO C[N@H+]1CCC[C@H](C(=O)NCCSC2CCCCC2)C1 ZINC000078578520 177356145 /nfs/dbraw/zinc/35/61/45/177356145.db2.gz NADSEXWCSVZDFB-ZDUSSCGKSA-N 1 1 284.469 2.510 40 0 CFABMO COc1ccc2c(c1O)-c1cc(O)cc3c1[C@@H](C2)[N@H+](C)CC3 ZINC000001676203 274140899 /nfs/dbraw/zinc/14/08/99/274140899.db2.gz LEWKYIVLAXKZAS-CQSZACIVSA-N 1 1 297.354 2.859 40 0 CFABMO COc1ccc2c(c1O)-c1cc(O)cc3c1[C@@H](C2)[N@@H+](C)CC3 ZINC000001676203 274140902 /nfs/dbraw/zinc/14/09/02/274140902.db2.gz LEWKYIVLAXKZAS-CQSZACIVSA-N 1 1 297.354 2.859 40 0 CFABMO Brc1ccc2nc([C@H]3CCC[NH2+]C3)[nH]c2c1 ZINC000037441105 275370066 /nfs/dbraw/zinc/37/00/66/275370066.db2.gz UUVYRPYGICUZDK-QMMMGPOBSA-N 1 1 280.169 2.792 40 0 CFABMO Cc1cccc(OC[C@@H](O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000004333105 302006964 /nfs/dbraw/zinc/00/69/64/302006964.db2.gz KGUWUSOKGHJKGH-XHSDSOJGSA-N 1 1 277.408 2.713 40 0 CFABMO