smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C[N@@H+]2CCCCC[C@@H]2c2ccn(C)n2)c(OC)c1 ZINC000019291080 202003211 /nfs/dbraw/zinc/00/32/11/202003211.db2.gz VJTUGTXKZKHBAA-GOSISDBHSA-N 1 1 329.444 3.555 40 0 EHABMO COc1ccc(C[N@H+]2CCCCC[C@@H]2c2ccn(C)n2)c(OC)c1 ZINC000019291080 202003215 /nfs/dbraw/zinc/00/32/15/202003215.db2.gz VJTUGTXKZKHBAA-GOSISDBHSA-N 1 1 329.444 3.555 40 0 EHABMO C[C@@H]1C[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@H+]2C ZINC000019495817 202009097 /nfs/dbraw/zinc/00/90/97/202009097.db2.gz FVEFMSZTHXCPMG-PKOFMYQESA-N 1 1 326.484 3.511 40 0 EHABMO Cc1c2ccccc2oc1CN1CCC([NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000019566354 202010927 /nfs/dbraw/zinc/01/09/27/202010927.db2.gz LNSPZYYYAOQBNM-HZPDHXFCSA-N 1 1 342.483 3.815 40 0 EHABMO C[N@H+]1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)CC1CCCC1 ZINC000019589206 202012781 /nfs/dbraw/zinc/01/27/81/202012781.db2.gz RUCRIMSTWMYRLQ-SFHLNBCPSA-N 1 1 344.474 3.795 40 0 EHABMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](Cc2ccnn2C)C1 ZINC000019658624 202014515 /nfs/dbraw/zinc/01/45/15/202014515.db2.gz HZIVQDPCUSCFAI-MRXNPFEDSA-N 1 1 337.471 3.730 40 0 EHABMO CCN1CC[NH+]([C@H](c2c(C)[nH]c3ccccc32)c2cccnc2)CC1 ZINC000020192570 202034737 /nfs/dbraw/zinc/03/47/37/202034737.db2.gz SVZFZLJWUPBJMM-NRFANRHFSA-N 1 1 334.467 3.598 40 0 EHABMO O=C(Nc1cccnc1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039753655 202162661 /nfs/dbraw/zinc/16/26/61/202162661.db2.gz JNQBLCQHPFKPDL-UHFFFAOYSA-N 1 1 347.821 3.725 40 0 EHABMO Cc1cccc(C[N@H+]2CCOC[C@H](Cc3ccc4ncccc4c3)C2)n1 ZINC000257219810 244181122 /nfs/dbraw/zinc/18/11/22/244181122.db2.gz DIGITLOTTSMHNS-LJQANCHMSA-N 1 1 347.462 3.629 40 0 EHABMO Cc1ccccc1C[N@H+]1CCC[C@@H](c2nnc(-c3cccnc3)o2)C1 ZINC000072389990 203212980 /nfs/dbraw/zinc/21/29/80/203212980.db2.gz OMDMNVPFUIXNPX-GOSISDBHSA-N 1 1 334.423 3.820 40 0 EHABMO Cc1ccc(C[N@H+]2CCC[C@@H](c3nnc(-c4ccccn4)o3)C2)cc1 ZINC000072390030 203213251 /nfs/dbraw/zinc/21/32/51/203213251.db2.gz YEHCDLPYLUEPRN-QGZVFWFLSA-N 1 1 334.423 3.820 40 0 EHABMO O=C(NC1CC(F)(F)C1)[C@H]1CCC[C@]12CC[N@@H+](CC1CCCC1)C2 ZINC000108527120 204264931 /nfs/dbraw/zinc/26/49/31/204264931.db2.gz GYKSRAGTFGLAPU-SJLPKXTDSA-N 1 1 340.458 3.583 40 0 EHABMO COc1cccc([C@@H]([NH3+])c2nnc(-c3cccc(C(F)(F)F)c3)[nH]2)c1 ZINC000095533577 257701599 /nfs/dbraw/zinc/70/15/99/257701599.db2.gz YGFLICKEHKPPPO-CQSZACIVSA-N 1 1 348.328 3.547 40 0 EHABMO O=C([C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1)N1CCCC1 ZINC000038832667 563922215 /nfs/dbraw/zinc/92/22/15/563922215.db2.gz YIQAZUHJAZIJNG-CQSZACIVSA-N 1 1 341.282 3.828 40 0 EHABMO Cc1ccccc1CNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038848721 563922329 /nfs/dbraw/zinc/92/23/29/563922329.db2.gz ZOCXZFNMIHBPET-IBGZPJMESA-N 1 1 340.442 3.663 40 0 EHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](C)Oc1ccccc1C ZINC000044850396 563927189 /nfs/dbraw/zinc/92/71/89/563927189.db2.gz NPPOLHNDRSKGOR-MSOLQXFVSA-N 1 1 332.488 3.533 40 0 EHABMO O=C1N(CC2CCCCC2)C[C@]12CCC[N@H+](CC1CC(F)(F)C1)C2 ZINC000585099643 563971396 /nfs/dbraw/zinc/97/13/96/563971396.db2.gz ULGAGRLMEOCHRF-GOSISDBHSA-N 1 1 340.458 3.536 40 0 EHABMO c1csc(CN2CCC3(CC[N@@H+](Cc4ccsc4)C3)CC2)n1 ZINC000096046613 563978146 /nfs/dbraw/zinc/97/81/46/563978146.db2.gz MJIVACIKXCRIPB-UHFFFAOYSA-N 1 1 333.526 3.693 40 0 EHABMO Cc1ccc(C[N@H+]2CC[C@]3(C[C@H](Nc4cccc(F)c4)CO3)C2)o1 ZINC000096047588 563978277 /nfs/dbraw/zinc/97/82/77/563978277.db2.gz PWISKJJIVVAGDI-HKUYNNGSSA-N 1 1 330.403 3.573 40 0 EHABMO O=C1CC[C@@]2(CCC[N@@H+](CC3CC3)CC2)N1Cc1cccc(F)c1 ZINC000096047562 563978292 /nfs/dbraw/zinc/97/82/92/563978292.db2.gz JABYQZTYFQUUEV-HXUWFJFHSA-N 1 1 330.447 3.583 40 0 EHABMO FC1(F)CC[N@@H+](Cc2ccsc2)C[C@]12CCN(c1cccnc1)C2 ZINC000096051125 563978538 /nfs/dbraw/zinc/97/85/38/563978538.db2.gz RCIRRBSPFNUFDV-KRWDZBQOSA-N 1 1 349.450 3.881 40 0 EHABMO Fc1ccc(-c2ncnc3c2CC[N@@H+](Cc2ccsc2)CC3)cc1 ZINC000096058699 563978814 /nfs/dbraw/zinc/97/88/14/563978814.db2.gz VGBHOEZUCSKODW-UHFFFAOYSA-N 1 1 339.439 3.945 40 0 EHABMO Cc1ccc(CN2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)s1 ZINC000096201204 563980138 /nfs/dbraw/zinc/98/01/38/563980138.db2.gz MKPIFTFJYJGPKM-HNNXBMFYSA-N 1 1 332.517 3.670 40 0 EHABMO Fc1ccc(CN2CC[C@@]3(C2)CCC[N@@H+](CC2CCOCC2)C3)cc1 ZINC000096215377 563980211 /nfs/dbraw/zinc/98/02/11/563980211.db2.gz PILUPQWQDXMALZ-NRFANRHFSA-N 1 1 346.490 3.540 40 0 EHABMO Cc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(Cc2nccs2)C3)o1 ZINC000096215723 563980223 /nfs/dbraw/zinc/98/02/23/563980223.db2.gz BGGZDTMDHVZJEW-GOSISDBHSA-N 1 1 331.485 3.533 40 0 EHABMO FC1(F)CC[N@@H+](Cc2cccs2)C[C@@]12CCN(c1cccnc1)C2 ZINC000096239573 563980543 /nfs/dbraw/zinc/98/05/43/563980543.db2.gz KWGYGWSVOKAZQB-QGZVFWFLSA-N 1 1 349.450 3.881 40 0 EHABMO CCN(C)[C@H]1C[N@@H+](Cc2ccc(NC(C)=O)cc2)C2(C1)CCCCC2 ZINC000585260980 563980778 /nfs/dbraw/zinc/98/07/78/563980778.db2.gz QCAZDRGZNDTHEG-HXUWFJFHSA-N 1 1 343.515 3.874 40 0 EHABMO CC[N@H+](C)[C@H]1CN(Cc2ccc(NC(C)=O)cc2)C2(C1)CCCCC2 ZINC000585260980 563980779 /nfs/dbraw/zinc/98/07/79/563980779.db2.gz QCAZDRGZNDTHEG-HXUWFJFHSA-N 1 1 343.515 3.874 40 0 EHABMO CC[N@@H+](C)[C@H]1CN(Cc2ccc(NC(C)=O)cc2)C2(C1)CCCCC2 ZINC000585260980 563980780 /nfs/dbraw/zinc/98/07/80/563980780.db2.gz QCAZDRGZNDTHEG-HXUWFJFHSA-N 1 1 343.515 3.874 40 0 EHABMO [NH3+][C@@H]1C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(Cl)cc1Cl ZINC000072227659 563985936 /nfs/dbraw/zinc/98/59/36/563985936.db2.gz ARNLBCJANCBNPK-KBPBESRZSA-N 1 1 325.170 3.548 40 0 EHABMO S=C(Nc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccco1 ZINC000004856840 564005367 /nfs/dbraw/zinc/00/53/67/564005367.db2.gz AFWPNDFPLXLPJV-ALOPSCKCSA-N 1 1 341.480 3.762 40 0 EHABMO Cc1nccn1-c1ccc([C@@H](C)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000096484365 564051292 /nfs/dbraw/zinc/05/12/92/564051292.db2.gz KGEIHHUWMJPNNI-ZTFGCOKTSA-N 1 1 342.462 3.597 40 0 EHABMO Cc1nccn1-c1ccc([C@@H](C)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1F ZINC000096484365 564051293 /nfs/dbraw/zinc/05/12/93/564051293.db2.gz KGEIHHUWMJPNNI-ZTFGCOKTSA-N 1 1 342.462 3.597 40 0 EHABMO c1csc(C[N@H+]2C[C@@H]3Cn4c(-c5ccccc5)cnc4C[C@@H]3C2)c1 ZINC000306139513 564062306 /nfs/dbraw/zinc/06/23/06/564062306.db2.gz SZFJIVDQMYWURB-IAGOWNOFSA-N 1 1 335.476 3.916 40 0 EHABMO Cc1ccc([C@@H]([NH3+])c2nnc(-c3cccc(C(F)(F)F)c3)[nH]2)cc1 ZINC000095534145 564141659 /nfs/dbraw/zinc/14/16/59/564141659.db2.gz KUVOMYYWRGIBDW-CQSZACIVSA-N 1 1 332.329 3.847 40 0 EHABMO COc1cccc(C[N@H+]2CC[C@@H](c3nc(-c4cccs4)no3)C2)c1 ZINC000019564777 202011958 /nfs/dbraw/zinc/01/19/58/202011958.db2.gz MENBMEKKXXUJDA-CQSZACIVSA-N 1 1 341.436 3.796 40 0 EHABMO COc1ccccc1C[N@@H+]1C[C@@H](c2ccccc2)[C@H](c2cc[nH]n2)C1 ZINC000019570736 202012923 /nfs/dbraw/zinc/01/29/23/202012923.db2.gz MSWDTYOWLQJDBD-RBUKOAKNSA-N 1 1 333.435 3.802 40 0 EHABMO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000037530344 202345056 /nfs/dbraw/zinc/34/50/56/202345056.db2.gz PSKUZPOGYZMETL-DAUOMPHXSA-N 1 1 325.537 3.803 40 0 EHABMO CN1CC[NH+](Cc2ccc3oc(-c4cccc(Cl)c4)nc3c2)CC1 ZINC000216840548 241212649 /nfs/dbraw/zinc/21/26/49/241212649.db2.gz NTZCCRQYHXZTDZ-UHFFFAOYSA-N 1 1 341.842 3.896 40 0 EHABMO Cc1nc(C[N@H+]2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@@H]3C2)cs1 ZINC000257223660 244192210 /nfs/dbraw/zinc/19/22/10/244192210.db2.gz DYJAYKDPGIJVIU-DZFIZOCASA-N 1 1 328.481 3.879 40 0 EHABMO Cc1ncc2cc(C)nc([C@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)n12 ZINC000257231648 244217782 /nfs/dbraw/zinc/21/77/82/244217782.db2.gz GHQATKYLVNLTRP-KRWDZBQOSA-N 1 1 338.430 3.865 40 0 EHABMO Cc1ncc2cc(C)nc([C@H]3CCC[N@@H+](Cc4ccc(F)cc4)C3)n12 ZINC000257231648 244217787 /nfs/dbraw/zinc/21/77/87/244217787.db2.gz GHQATKYLVNLTRP-KRWDZBQOSA-N 1 1 338.430 3.865 40 0 EHABMO Cc1cc2nc([C@H]3CCC[N@H+](C[C@@H](C)c4ccccc4)C3)cc(N)n2n1 ZINC000072339779 203203401 /nfs/dbraw/zinc/20/34/01/203203401.db2.gz FFJUBRKZDFQDBJ-QAPCUYQASA-N 1 1 349.482 3.603 40 0 EHABMO Fc1cccc(-c2nccnc2[C@H]2CCC[N@H+](C3CCOCC3)C2)c1 ZINC000072359070 203205308 /nfs/dbraw/zinc/20/53/08/203205308.db2.gz RYALPRMANCDBAI-INIZCTEOSA-N 1 1 341.430 3.641 40 0 EHABMO Fc1ccccc1C[N@H+]1CCC[C@@H](c2nnc(-c3cccnc3)o2)C1 ZINC000072389972 203213637 /nfs/dbraw/zinc/21/36/37/203213637.db2.gz AYTNDBMTQCSXOE-MRXNPFEDSA-N 1 1 338.386 3.650 40 0 EHABMO Cc1ccsc1C[N@H+]1CC[C@@H](c2cc(-c3ncc[nH]3)nc(C)n2)C1 ZINC000257318660 244511842 /nfs/dbraw/zinc/51/18/42/244511842.db2.gz VOXLBZJAVOFWEZ-CQSZACIVSA-N 1 1 339.468 3.535 40 0 EHABMO Cn1cc(C[N@H+]2CC[C@H](c3nnc(-c4ccco4)o3)C2)c2ccccc21 ZINC000049169532 204369496 /nfs/dbraw/zinc/36/94/96/204369496.db2.gz CFTCKAPAUHSTCW-AWEZNQCLSA-N 1 1 348.406 3.811 40 0 biogenic,in-vitro EHABMO CN(C)c1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)cc1 ZINC000049170180 204370199 /nfs/dbraw/zinc/37/01/99/204370199.db2.gz GVMHMWHNXIWWMB-SFHVURJKSA-N 1 1 348.450 3.792 40 0 biogenic,in-vitro EHABMO Cc1ccc(C(=O)N2CCC[C@H]([N@H+]3CCc4ccccc4C3)C2)cc1 ZINC000408611599 257894165 /nfs/dbraw/zinc/89/41/65/257894165.db2.gz UHGRKZAHYIIXBM-NRFANRHFSA-N 1 1 334.463 3.658 40 0 EHABMO CC[C@H](OC[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000006355966 563565836 /nfs/dbraw/zinc/56/58/36/563565836.db2.gz QBKYHGIVYNYNLB-SFTDATJTSA-N 1 1 325.452 3.574 40 0 EHABMO C=Cn1cc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(C)cc2)C3)c(C)n1 ZINC000012345357 563658463 /nfs/dbraw/zinc/65/84/63/563658463.db2.gz HQFFQMUCTUNDFA-WCRBZPEASA-N 1 1 337.467 3.615 40 0 EHABMO Cc1cnc(-c2nc([C@@H]3CCC[N@@H+](Cc4ccccc4C)C3)no2)cn1 ZINC000019237185 563855470 /nfs/dbraw/zinc/85/54/70/563855470.db2.gz SFZRCYUQOPFDDH-QGZVFWFLSA-N 1 1 349.438 3.523 40 0 EHABMO O=C([C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1)N1CCCC1 ZINC000038832666 563922223 /nfs/dbraw/zinc/92/22/23/563922223.db2.gz YIQAZUHJAZIJNG-AWEZNQCLSA-N 1 1 341.282 3.828 40 0 EHABMO COc1ccccc1C[N@@H+](Cc1cccc(C)n1)C[C@H]1CCCO1 ZINC000056668455 563935200 /nfs/dbraw/zinc/93/52/00/563935200.db2.gz AQVWUFUZIXEJLV-LJQANCHMSA-N 1 1 326.440 3.580 40 0 EHABMO COc1ccccc1C[N@H+](Cc1cccc(C)n1)C[C@H]1CCCO1 ZINC000056668455 563935201 /nfs/dbraw/zinc/93/52/01/563935201.db2.gz AQVWUFUZIXEJLV-LJQANCHMSA-N 1 1 326.440 3.580 40 0 EHABMO c1csc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccccn2)C3)c1 ZINC000096046942 563978023 /nfs/dbraw/zinc/97/80/23/563978023.db2.gz OGFPZOMLLGDHGQ-LJQANCHMSA-N 1 1 327.497 3.631 40 0 EHABMO Fc1cccc(N[C@H]2CO[C@@]3(CC[N@@H+](Cc4ccsc4)C3)C2)c1 ZINC000096047586 563978269 /nfs/dbraw/zinc/97/82/69/563978269.db2.gz PWGBGNBWEKZWBV-MSOLQXFVSA-N 1 1 332.444 3.733 40 0 EHABMO c1csc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)c1 ZINC000096057062 563978752 /nfs/dbraw/zinc/97/87/52/563978752.db2.gz NAOJBTKWWLSQQV-PKOBYXMFSA-N 1 1 344.480 3.593 40 0 EHABMO Cc1ccc(CN2CC[C@]3(C2)CCC[N@H+](CC2CCOCC2)C3)s1 ZINC000096215370 563980189 /nfs/dbraw/zinc/98/01/89/563980189.db2.gz NUASKEFUPHZHNI-HXUWFJFHSA-N 1 1 348.556 3.771 40 0 EHABMO Cc1ccc(CN2CC[C@]3(C2)CCC[N@@H+](CC2CCOCC2)C3)s1 ZINC000096215370 563980190 /nfs/dbraw/zinc/98/01/90/563980190.db2.gz NUASKEFUPHZHNI-HXUWFJFHSA-N 1 1 348.556 3.771 40 0 EHABMO Cc1cccc(C[N@H+]2CCc3ncnc(-c4ccsc4)c3CC2)n1 ZINC000096255338 563980638 /nfs/dbraw/zinc/98/06/38/563980638.db2.gz YEPCDDIGVSUJNV-UHFFFAOYSA-N 1 1 336.464 3.509 40 0 EHABMO CCC[N@H+](Cc1ccc(OC)c(OC)c1)[C@H]1C[C@H](C)N(C)C[C@@H]1C ZINC000004763939 564005276 /nfs/dbraw/zinc/00/52/76/564005276.db2.gz TWTOFPRZEXCURK-BQFCYCMXSA-N 1 1 334.504 3.645 40 0 EHABMO CCC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@H]1C[C@H](C)N(C)C[C@@H]1C ZINC000004763939 564005277 /nfs/dbraw/zinc/00/52/77/564005277.db2.gz TWTOFPRZEXCURK-BQFCYCMXSA-N 1 1 334.504 3.645 40 0 EHABMO CC(C)C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=S)NCc1ccccc1)C2 ZINC000004886516 564005473 /nfs/dbraw/zinc/00/54/73/564005473.db2.gz ZCVRWGSAQXHXSL-YQQQUEKLSA-N 1 1 345.556 3.692 40 0 EHABMO CCOc1cc(C=O)ccc1OCCC[N@H+]1CCc2ccccc2C1 ZINC000008731584 564016425 /nfs/dbraw/zinc/01/64/25/564016425.db2.gz RYLNKKJXPGEZQW-UHFFFAOYSA-N 1 1 339.435 3.725 40 0 EHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(Cl)cc1F ZINC000222693612 564037485 /nfs/dbraw/zinc/03/74/85/564037485.db2.gz PCBZYQGHVKPQKD-CQSZACIVSA-N 1 1 326.843 3.864 40 0 EHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Cc2ccc(C)cc2C)cc1 ZINC000225469665 564047056 /nfs/dbraw/zinc/04/70/56/564047056.db2.gz HRJQUFJIXIULQQ-UHFFFAOYSA-N 1 1 333.435 3.656 40 0 EHABMO C[C@H]1C[NH+](C[C@H](O)COc2ccc(C3CCCCC3)cc2)C[C@H](C)O1 ZINC000033340753 564050134 /nfs/dbraw/zinc/05/01/34/564050134.db2.gz YPYHVQMQVWXXGN-ZWOKBUDYSA-N 1 1 347.499 3.583 40 0 EHABMO Cc1c[nH]c(-c2cc(C)nc([C@@H]3CCC[N@@H+](Cc4ccccc4)C3)n2)n1 ZINC000257339413 564055727 /nfs/dbraw/zinc/05/57/27/564055727.db2.gz ZBPHHHOOCXCFGA-GOSISDBHSA-N 1 1 347.466 3.863 40 0 EHABMO Cc1cc(-c2ccnn2C(C)C)nc([C@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000257343576 564055793 /nfs/dbraw/zinc/05/57/93/564055793.db2.gz ZTNUYEYHQTUQEB-INIZCTEOSA-N 1 1 327.476 3.817 40 0 EHABMO c1cc(C[N@@H+]2C[C@@H]3Cc4ncc(-c5ccccc5)n4C[C@@H]3C2)cs1 ZINC000306138285 564062285 /nfs/dbraw/zinc/06/22/85/564062285.db2.gz RUEIFCZMGVIEFB-ROUUACIJSA-N 1 1 335.476 3.916 40 0 EHABMO O[C@H](C[N@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1cccs1 ZINC000247793226 564124506 /nfs/dbraw/zinc/12/45/06/564124506.db2.gz PQTUVGLKKFMAKS-XJKSGUPXSA-N 1 1 327.453 3.537 40 0 EHABMO O=c1cc(-c2ccccn2)nc([C@H]2CCC[N@H+]2C[C@@H]2CC=CCC2)[nH]1 ZINC000247955863 564124526 /nfs/dbraw/zinc/12/45/26/564124526.db2.gz NIUJZZGJGGKOQR-CRAIPNDOSA-N 1 1 336.439 3.737 40 0 EHABMO CC(C)(C)c1[nH]c2ncccc2c1C[N@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000248197127 564124558 /nfs/dbraw/zinc/12/45/58/564124558.db2.gz QVXKEBHZHCZKIR-JQHSSLGASA-N 1 1 341.499 3.986 40 0 EHABMO O=C1OC[C@@H]2CC[N@@H+](Cc3ccccc3F)Cc3ccc(F)cc3N12 ZINC000225486575 564135184 /nfs/dbraw/zinc/13/51/84/564135184.db2.gz QZSHCLBOZYZPOP-INIZCTEOSA-N 1 1 344.361 3.696 40 0 biogenic,in-vitro EHABMO O=C1OC[C@@H]2CC[N@H+](Cc3ccccc3F)Cc3ccc(F)cc3N12 ZINC000225486575 564135185 /nfs/dbraw/zinc/13/51/85/564135185.db2.gz QZSHCLBOZYZPOP-INIZCTEOSA-N 1 1 344.361 3.696 40 0 biogenic,in-vitro EHABMO [NH3+][C@@H](c1nnc(-c2ccc(C(F)(F)F)cc2)[nH]1)c1ccc(F)cc1 ZINC000095533312 564141590 /nfs/dbraw/zinc/14/15/90/564141590.db2.gz JASJOBQMUAJMCM-CYBMUJFWSA-N 1 1 336.292 3.678 40 0 EHABMO CCc1[nH+]ccn1C[C@@H](C)C(=O)N[C@H](C)c1nc2ccccc2s1 ZINC000019523587 202009894 /nfs/dbraw/zinc/00/98/94/202009894.db2.gz XRRKQCLBUFCHOB-CHWSQXEVSA-N 1 1 342.468 3.569 40 0 EHABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cccnc1)Cc1ccccc1F ZINC000019527187 202010127 /nfs/dbraw/zinc/01/01/27/202010127.db2.gz LKVAAVZFHDAWSA-LJQANCHMSA-N 1 1 327.447 3.707 40 0 EHABMO CCc1nc2cc(NC(=O)CCCn3cc[nH+]c3C)ccc2n1CC ZINC000019523206 202010432 /nfs/dbraw/zinc/01/04/32/202010432.db2.gz QBGVUKXWFFUYDC-UHFFFAOYSA-N 1 1 339.443 3.542 40 0 EHABMO C[N@@H+](CCn1cncc1-c1cnn(Cc2ccccc2)c1)C1CCCC1 ZINC000019719338 202016314 /nfs/dbraw/zinc/01/63/14/202016314.db2.gz AKVPEOMXFYBMMW-UHFFFAOYSA-N 1 1 349.482 3.669 40 0 EHABMO C[C@H]1C[N@@H+](C)CC[C@@H]1CCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000072335289 203202441 /nfs/dbraw/zinc/20/24/41/203202441.db2.gz RVWHIDJMYMUWOP-WMZOPIPTSA-N 1 1 337.467 3.854 40 0 EHABMO CC(C)c1nccn1-c1cncc([C@@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC000072355514 203204311 /nfs/dbraw/zinc/20/43/11/203204311.db2.gz VFQCJRQDTKIZSR-MRXNPFEDSA-N 1 1 339.487 3.908 40 0 EHABMO c1cnc(Nc2nccc([C@H]3CCC[N@@H+]3CC3CCCCC3)n2)cn1 ZINC000072377845 203208455 /nfs/dbraw/zinc/20/84/55/203208455.db2.gz TXILFNLYSNFMCW-QGZVFWFLSA-N 1 1 338.459 3.727 40 0 EHABMO C[C@H]1C[C@]2(C)Oc3ccccc3C[C@@H]2[C@@H](C)[C@@H]1C[NH2+]CCCN(C)C ZINC000013119903 207349030 /nfs/dbraw/zinc/34/90/30/207349030.db2.gz LNUAAHAFERZTED-ZAAOTPHGSA-N 1 1 344.543 3.830 40 0 EHABMO Cc1cccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)c1 ZINC000009064388 257862133 /nfs/dbraw/zinc/86/21/33/257862133.db2.gz IQKXLSOPNZVOII-UHFFFAOYSA-N 1 1 343.858 3.653 40 0 EHABMO C[N@H+]1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)N2C(=O)c1cccnc1 ZINC000257274472 536359339 /nfs/dbraw/zinc/35/93/39/536359339.db2.gz NLEBNLGANQNPHC-SLFFLAALSA-N 1 1 335.451 3.522 40 0 EHABMO C[C@H]1Cc2cc(C[N@@H+](C)Cc3cc(=O)[nH]c4ccccc34)ccc2O1 ZINC000012188480 563655813 /nfs/dbraw/zinc/65/58/13/563655813.db2.gz JJAYGAQJJDQZDA-AWEZNQCLSA-N 1 1 334.419 3.896 40 0 EHABMO [NH3+]C[C@H]1CC[C@H]([C@@H](NCc2cccc(F)c2)c2ccccn2)CC1 ZINC000257214785 563967171 /nfs/dbraw/zinc/96/71/71/563967171.db2.gz CNKULNYGOMGBTJ-WRWLIDTKSA-N 1 1 327.447 3.817 40 0 EHABMO O=C1CC[C@]2(CCC[N@@H+](CC3CCCCC3)CC2)N1C[C@@H]1CCCO1 ZINC000585099828 563971426 /nfs/dbraw/zinc/97/14/26/563971426.db2.gz DFLJKYXZXWNBGM-FPOVZHCZSA-N 1 1 348.531 3.593 40 0 EHABMO Cc1ccsc1C[N@H+]1CC[C@H]2C[C@@H](c3ccnc(C)n3)O[C@@H]2C1 ZINC000096046373 563978110 /nfs/dbraw/zinc/97/81/10/563978110.db2.gz ANUFKRYZRYRWAP-BHYGNILZSA-N 1 1 329.469 3.507 40 0 EHABMO Cc1ccc(CN2CCC3(CCC[N@H+]3Cc3cccnc3)CC2)o1 ZINC000096049314 563978392 /nfs/dbraw/zinc/97/83/92/563978392.db2.gz HISUEOSSMCDORN-UHFFFAOYSA-N 1 1 325.456 3.614 40 0 EHABMO O=C1C[C@@]2(CC[N@@H+](Cc3ccsc3)C2)CN1c1cccc(F)c1 ZINC000096050714 563978495 /nfs/dbraw/zinc/97/84/95/563978495.db2.gz YOPVSXDZQAAMHC-GOSISDBHSA-N 1 1 330.428 3.516 40 0 EHABMO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](Cc3cccs3)C[C@H]12 ZINC000096058441 563978796 /nfs/dbraw/zinc/97/87/96/563978796.db2.gz MCCIKYFKNXEUPM-VQTJNVASSA-N 1 1 340.492 3.513 40 0 EHABMO COc1cccc(-c2noc([C@@H]3CC[N@@H+](CCc4ccccc4)C3)n2)c1 ZINC000072369861 563990976 /nfs/dbraw/zinc/99/09/76/563990976.db2.gz SXOFTQNAYDPANS-GOSISDBHSA-N 1 1 349.434 3.777 40 0 EHABMO CC[NH+](CC)CCNCc1ccc(OCc2cccs2)c(OC)c1 ZINC000022076403 564034179 /nfs/dbraw/zinc/03/41/79/564034179.db2.gz WXJUHMYEAXCWQE-UHFFFAOYSA-N 1 1 348.512 3.767 40 0 EHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc(F)c(F)c1 ZINC000225582453 564048013 /nfs/dbraw/zinc/04/80/13/564048013.db2.gz ZHKNSDQMJJYWNK-CQSZACIVSA-N 1 1 341.471 3.906 40 0 EHABMO CN1C[C@@H]2[N@@H+](Cc3ccsc3)CC[C@@]2(c2ccccc2)CCC1=O ZINC000306143713 564062372 /nfs/dbraw/zinc/06/23/72/564062372.db2.gz YKHGBASRRORODF-AZUAARDMSA-N 1 1 340.492 3.513 40 0 EHABMO CC(C)Nc1nc(N2Cc3ccccc3CC2(C)C)cc(C2CC2)[nH+]1 ZINC000329028437 564071692 /nfs/dbraw/zinc/07/16/92/564071692.db2.gz PUTXKZUTEXTFFV-UHFFFAOYSA-N 1 1 336.483 3.938 40 0 EHABMO O=C(c1ccc(Cl)cc1)N1CC[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000238885285 564120126 /nfs/dbraw/zinc/12/01/26/564120126.db2.gz PXHIMDXBEURRME-LJQANCHMSA-N 1 1 340.854 3.613 40 0 EHABMO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[N@H+]1CCN[C@@H]2CCCC[C@H]21 ZINC000218837685 564161014 /nfs/dbraw/zinc/16/10/14/564161014.db2.gz AYRHIEIVWIXGOF-WERVVEIQSA-N 1 1 328.500 3.901 40 0 EHABMO Cc1ccccc1O[C@@H]1CCCC[C@@H]1N1CC[NH2+][C@@H]2CCCC[C@H]21 ZINC000218837685 564161015 /nfs/dbraw/zinc/16/10/15/564161015.db2.gz AYRHIEIVWIXGOF-WERVVEIQSA-N 1 1 328.500 3.901 40 0 EHABMO Cc1cnc([C@H](C)[N@H+]2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)o1 ZINC000331876623 1137924060 /nfs/dbraw/zinc/92/40/60/1137924060.db2.gz UQUGFIKIAXMFML-QWRGUYRKSA-N 1 1 328.338 3.666 40 0 EHABMO CC(C)c1ncc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H]2CCCO2)cn1 ZINC000019453918 202008472 /nfs/dbraw/zinc/00/84/72/202008472.db2.gz JTKGJOLQBMEITO-IBGZPJMESA-N 1 1 343.446 3.920 40 0 EHABMO CC(C)c1ncc(C[N@H+](Cc2ccc(F)cc2)C[C@@H]2CCCO2)cn1 ZINC000019453918 202008474 /nfs/dbraw/zinc/00/84/74/202008474.db2.gz JTKGJOLQBMEITO-IBGZPJMESA-N 1 1 343.446 3.920 40 0 EHABMO CCn1cc(CN(Cc2cccs2)C[C@H]2CCC[N@H+]2CC)c(C)n1 ZINC000019524502 202010007 /nfs/dbraw/zinc/01/00/07/202010007.db2.gz NDUYZOXIUSOOFZ-GOSISDBHSA-N 1 1 346.544 3.759 40 0 EHABMO Cc1cc(C)c2c(n[nH]c2NC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000019657276 202015548 /nfs/dbraw/zinc/01/55/48/202015548.db2.gz LRBOGAMIZHTMMB-UHFFFAOYSA-N 1 1 335.455 3.651 40 0 EHABMO Cc1cccc(O[C@H](C)C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000020041785 202029978 /nfs/dbraw/zinc/02/99/78/202029978.db2.gz ZACLFWBUOYVFJD-JTDSTZFVSA-N 1 1 346.515 3.555 40 0 EHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CSc2ccccc2)cc1 ZINC000022514228 202086502 /nfs/dbraw/zinc/08/65/02/202086502.db2.gz NTAMVHSXJUZXDT-UHFFFAOYSA-N 1 1 337.448 3.589 40 0 EHABMO O=C(NCc1ccccc1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220788 202167281 /nfs/dbraw/zinc/16/72/81/202167281.db2.gz MDPRGUCLBBDVFL-SFHVURJKSA-N 1 1 342.870 3.868 40 0 EHABMO O=C([C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)N1CCc2ccccc21 ZINC000030946917 202201511 /nfs/dbraw/zinc/20/15/11/202201511.db2.gz CNZHTOQFNDCQJH-SFHVURJKSA-N 1 1 338.426 3.627 40 0 EHABMO Cc1c[nH]c([C@H]2CCC[N@@H+](Cc3c[nH]nc3-c3cccs3)C2)n1 ZINC000257219672 244176207 /nfs/dbraw/zinc/17/62/07/244176207.db2.gz DHPZTYCIJVIUAO-ZDUSSCGKSA-N 1 1 327.457 3.549 40 0 EHABMO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2nc(C)ncc2CN(C)C)s1 ZINC000257224236 244194943 /nfs/dbraw/zinc/19/49/43/244194943.db2.gz FAXKKRMKFMQBHK-QGZVFWFLSA-N 1 1 330.501 3.554 40 0 EHABMO FC(F)(F)c1cccc(-c2noc([C@@H]3CC[N@@H+](CC4CC4)C3)n2)c1 ZINC000072369965 203209626 /nfs/dbraw/zinc/20/96/26/203209626.db2.gz ORUMRJAMFDZVNR-CYBMUJFWSA-N 1 1 337.345 3.955 40 0 EHABMO CCc1nccn1-c1cncc([C@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC000072378717 203210423 /nfs/dbraw/zinc/21/04/23/203210423.db2.gz AYVKWYZDERTBTK-QGZVFWFLSA-N 1 1 325.460 3.694 40 0 EHABMO COc1ccc(C[N@H+]2CCC[C@H](c3cccc(-n4ccnc4)n3)C2)cc1 ZINC000072378684 203210498 /nfs/dbraw/zinc/21/04/98/203210498.db2.gz MVODCBVWAMWISG-SFHVURJKSA-N 1 1 348.450 3.656 40 0 EHABMO C=Cn1cc(C[N@H+]2CCC[C@@H](c3cc4ccccc4c(=O)[nH]3)C2)c(C)n1 ZINC000072361001 203206703 /nfs/dbraw/zinc/20/67/03/203206703.db2.gz NCPHHEPAEQFJEM-QGZVFWFLSA-N 1 1 348.450 3.513 40 0 EHABMO Fc1ccc(C[N@H+]2CCC[C@@H](c3nnc(-c4ccccn4)o3)C2)cc1 ZINC000072390023 203213105 /nfs/dbraw/zinc/21/31/05/203213105.db2.gz HFKSSBWFECCKJH-OAHLLOKOSA-N 1 1 338.386 3.650 40 0 EHABMO Cc1cccc(C[N@H+]2CCC[C@@H](c3nnc(-c4cccnc4)o3)C2)c1 ZINC000072389992 203213257 /nfs/dbraw/zinc/21/32/57/203213257.db2.gz XYCKBOTURIGAPV-GOSISDBHSA-N 1 1 334.423 3.820 40 0 EHABMO Cc1cccc(Nc2cc(C3CC[NH+](Cc4ncc[nH]4)CC3)ccn2)n1 ZINC000257270611 244375341 /nfs/dbraw/zinc/37/53/41/244375341.db2.gz MUXRAGKZQFLHIA-UHFFFAOYSA-N 1 1 348.454 3.631 40 0 EHABMO COc1ccccc1-c1nnc([C@H]2CC[N@@H+](Cc3ccc(C)o3)C2)o1 ZINC000049170026 204369156 /nfs/dbraw/zinc/36/91/56/204369156.db2.gz VAGYCSOUXOPHFH-AWEZNQCLSA-N 1 1 339.395 3.636 40 0 biogenic,in-vitro EHABMO COc1ccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c(C(C)(C)C)c1 ZINC000001475475 563391084 /nfs/dbraw/zinc/39/10/84/563391084.db2.gz PVRPRVBIJMPCRR-QGZVFWFLSA-N 1 1 349.515 3.997 40 0 EHABMO Oc1ccc2c3c1O[C@H]1CCC[C@H]4[C@H](C2)[N@H+](Cc2ccoc2)CC[C@@]314 ZINC000001565941 563392590 /nfs/dbraw/zinc/39/25/90/563392590.db2.gz QJTYWRUTNAJPQP-STHPQGGCSA-N 1 1 337.419 3.615 40 0 EHABMO O[C@@H](CC[N@H+]1CC[C@@H]2CC[C@@H](C2)C1)c1ccc(Br)cc1 ZINC000004958171 563516310 /nfs/dbraw/zinc/51/63/10/563516310.db2.gz UBYSNAMCDWWVHX-ZQIUZPCESA-N 1 1 338.289 3.995 40 0 EHABMO O=C(NCCCNc1cc[nH+]c2cc(Cl)ccc12)c1ccco1 ZINC000010231834 563646365 /nfs/dbraw/zinc/64/63/65/563646365.db2.gz ZVRCZVQFQBJISQ-UHFFFAOYSA-N 1 1 329.787 3.713 40 0 EHABMO COc1cccc(-c2n[nH]cc2C[N@@H+](C)CCOc2ccccc2)c1 ZINC000012116820 563653876 /nfs/dbraw/zinc/65/38/76/563653876.db2.gz GNBYCKMLVKADOB-UHFFFAOYSA-N 1 1 337.423 3.596 40 0 EHABMO CC[NH+](CC)Cc1nc(-c2cccnc2OC2CCCCC2)no1 ZINC000012365408 563658776 /nfs/dbraw/zinc/65/87/76/563658776.db2.gz HXIJCHVQGZNKDL-UHFFFAOYSA-N 1 1 330.432 3.685 40 0 EHABMO CC(=O)N[C@@H](c1nccs1)[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000019020950 563853286 /nfs/dbraw/zinc/85/32/86/563853286.db2.gz JKYKYUTUCJTLSC-DLBZAZTESA-N 1 1 335.517 3.613 40 0 EHABMO CC(=O)N[C@H](c1nccs1)[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000019020941 563853313 /nfs/dbraw/zinc/85/33/13/563853313.db2.gz JKYKYUTUCJTLSC-SJORKVTESA-N 1 1 335.517 3.613 40 0 EHABMO CC1(C)[C@H](OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)[C@]2(C)CC[C@H]1C2 ZINC000033534413 563950121 /nfs/dbraw/zinc/95/01/21/563950121.db2.gz QJAWMQQAZFJDAY-BPBCIEFSSA-N 1 1 343.511 3.637 40 0 EHABMO CCCC[N@H+]1CCC[C@]2(CCC(=O)N2Cc2csc(C)n2)CC1 ZINC000585100019 563971332 /nfs/dbraw/zinc/97/13/32/563971332.db2.gz CJNCXWHGVFKGTH-SFHVURJKSA-N 1 1 335.517 3.599 40 0 EHABMO CC(C)CC[N@@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)c3ccncc3)[C@H]2C1 ZINC000585109746 563971618 /nfs/dbraw/zinc/97/16/18/563971618.db2.gz OBBYVNCBKHYXKP-PCCBWWKXSA-N 1 1 349.478 3.628 40 0 EHABMO c1cc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCC3CCCC3)C2)co1 ZINC000096057047 563978654 /nfs/dbraw/zinc/97/86/54/563978654.db2.gz ZPCCGJGMBOWHNR-WOJBJXKFSA-N 1 1 333.472 3.858 40 0 EHABMO Cc1cc(C[N@H+]2CC[C@]3(C2)CCCN(Cc2nccs2)C3)oc1C ZINC000096215824 563980284 /nfs/dbraw/zinc/98/02/84/563980284.db2.gz RHQQRZZVKRHPGO-LJQANCHMSA-N 1 1 345.512 3.841 40 0 EHABMO Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(c2ccc(C)nn2)C3)cc1 ZINC000096216983 563980429 /nfs/dbraw/zinc/98/04/29/563980429.db2.gz YMCTYLTUQNNHJP-OAQYLSRUSA-N 1 1 336.483 3.586 40 0 EHABMO CCN(C)[C@@H]1C[N@@H+](Cc2ccc(NC(C)=O)cc2)C2(C1)CCCCC2 ZINC000585260978 563980766 /nfs/dbraw/zinc/98/07/66/563980766.db2.gz QCAZDRGZNDTHEG-FQEVSTJZSA-N 1 1 343.515 3.874 40 0 EHABMO CC[N@H+](C)[C@@H]1CN(Cc2ccc(NC(C)=O)cc2)C2(C1)CCCCC2 ZINC000585260978 563980767 /nfs/dbraw/zinc/98/07/67/563980767.db2.gz QCAZDRGZNDTHEG-FQEVSTJZSA-N 1 1 343.515 3.874 40 0 EHABMO CC[N@@H+](C)[C@@H]1CN(Cc2ccc(NC(C)=O)cc2)C2(C1)CCCCC2 ZINC000585260978 563980768 /nfs/dbraw/zinc/98/07/68/563980768.db2.gz QCAZDRGZNDTHEG-FQEVSTJZSA-N 1 1 343.515 3.874 40 0 EHABMO Cc1[nH+]c(N)ccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072218590 563985659 /nfs/dbraw/zinc/98/56/59/563985659.db2.gz BSFZZDBLWZPNMS-KRWDZBQOSA-N 1 1 325.412 3.836 40 0 EHABMO Cc1cc([C@@H]2CCCCN2C(=O)OCc2ccccc2)c[nH+]c1N ZINC000072218470 563985689 /nfs/dbraw/zinc/98/56/89/563985689.db2.gz LTJFYPMADZUARF-KRWDZBQOSA-N 1 1 325.412 3.836 40 0 EHABMO C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000044933970 564024728 /nfs/dbraw/zinc/02/47/28/564024728.db2.gz ZIFSAIJUTHULLT-APWZRJJASA-N 1 1 340.442 3.915 40 0 EHABMO O=C(NCCNc1cc[nH+]c2cc(Cl)ccc12)c1ccc(F)cc1 ZINC000222946902 564038475 /nfs/dbraw/zinc/03/84/75/564038475.db2.gz XTULEFAEZPLONZ-UHFFFAOYSA-N 1 1 343.789 3.869 40 0 EHABMO CCOc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1C ZINC000223286520 564039511 /nfs/dbraw/zinc/03/95/11/564039511.db2.gz RDLHNMHGHHVVCC-UHFFFAOYSA-N 1 1 349.434 3.818 40 0 EHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc(F)cc1F ZINC000225582072 564047983 /nfs/dbraw/zinc/04/79/83/564047983.db2.gz LFOIEZYDNUAVAQ-CQSZACIVSA-N 1 1 341.471 3.906 40 0 EHABMO CC(C)N(Cc1ccccc1)C(=O)c1cc([C@H]2CCC[N@H+]2C)ccn1 ZINC000257287911 564054839 /nfs/dbraw/zinc/05/48/39/564054839.db2.gz PRYIEYNKALZSTG-HXUWFJFHSA-N 1 1 337.467 3.899 40 0 EHABMO FC(F)(F)c1ccc2[nH]c([C@H]3CC[N@H+](C4CCOCC4)C3)nc2c1 ZINC000035446708 564083554 /nfs/dbraw/zinc/08/35/54/564083554.db2.gz KVWJTRORNYPPEJ-NSHDSACASA-N 1 1 339.361 3.550 40 0 biogenic,in-vitro EHABMO FC(F)(F)c1ccc2nc([C@H]3CC[N@@H+](C4CCOCC4)C3)[nH]c2c1 ZINC000035446708 564083555 /nfs/dbraw/zinc/08/35/55/564083555.db2.gz KVWJTRORNYPPEJ-NSHDSACASA-N 1 1 339.361 3.550 40 0 biogenic,in-vitro EHABMO FC(F)(F)c1ccc2nc([C@H]3CC[N@H+](C4CCOCC4)C3)[nH]c2c1 ZINC000035446708 564083556 /nfs/dbraw/zinc/08/35/56/564083556.db2.gz KVWJTRORNYPPEJ-NSHDSACASA-N 1 1 339.361 3.550 40 0 biogenic,in-vitro EHABMO C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000044912765 564128552 /nfs/dbraw/zinc/12/85/52/564128552.db2.gz BAKGSSKRDQSLGS-PXNSSMCTSA-N 1 1 334.463 3.876 40 0 EHABMO C[N@H+]1CCC[C@@H](CNC(=O)/C=C/c2ccco2)[C@H]1c1cccs1 ZINC000110619648 564133680 /nfs/dbraw/zinc/13/36/80/564133680.db2.gz OLGQEWYLKUJKMS-KGYPOUGPSA-N 1 1 330.453 3.554 40 0 EHABMO CC(C)[N@@H+]1C[C@@H](F)[C@@H](OCc2nc3cc(C(F)(F)F)ccc3[nH]2)C1 ZINC000096112251 564145401 /nfs/dbraw/zinc/14/54/01/564145401.db2.gz FMEKQHYLCPHZRQ-RISCZKNCSA-N 1 1 345.340 3.529 40 0 biogenic,in-vitro EHABMO CC(C)[N@H+]1C[C@@H](F)[C@@H](OCc2nc3cc(C(F)(F)F)ccc3[nH]2)C1 ZINC000096112251 564145402 /nfs/dbraw/zinc/14/54/02/564145402.db2.gz FMEKQHYLCPHZRQ-RISCZKNCSA-N 1 1 345.340 3.529 40 0 biogenic,in-vitro EHABMO O=C1NC2(C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)Nc2ccccc21 ZINC000019371576 202005140 /nfs/dbraw/zinc/00/51/40/202005140.db2.gz PAMHMYVZZKNTPU-VSOVRNOCSA-N 1 1 347.462 3.755 40 0 EHABMO COc1cccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](c3cc[nH]n3)C2)c1 ZINC000019565513 202010947 /nfs/dbraw/zinc/01/09/47/202010947.db2.gz FWGNECKJYITCHE-VQTJNVASSA-N 1 1 333.435 3.802 40 0 EHABMO CC1(C)CC(N(Cc2ccccc2F)C[C@@H]2CCOC2)CC(C)(C)[NH2+]1 ZINC000036740473 202330378 /nfs/dbraw/zinc/33/03/78/202330378.db2.gz FXPLSISVEIUXPU-INIZCTEOSA-N 1 1 348.506 3.973 40 0 EHABMO O[C@@H](C[N@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1cccs1 ZINC000036743841 202330686 /nfs/dbraw/zinc/33/06/86/202330686.db2.gz PQTUVGLKKFMAKS-BBRMVZONSA-N 1 1 327.453 3.537 40 0 EHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](C)Oc2ccccc2C)cc1 ZINC000216367464 241185514 /nfs/dbraw/zinc/18/55/14/241185514.db2.gz HOKHAOZLJGIVKB-INIZCTEOSA-N 1 1 349.434 3.573 40 0 EHABMO c1csc(C[N@H+]2Cc3cccn3C[C@@H](OCc3ccccn3)C2)c1 ZINC000253588766 244026188 /nfs/dbraw/zinc/02/61/88/244026188.db2.gz RTOCOCXZDMZFIE-SFHVURJKSA-N 1 1 339.464 3.546 40 0 EHABMO c1csc(C[N@@H+]2Cc3cccn3C[C@@H](OCc3ccccn3)C2)c1 ZINC000253588766 244026192 /nfs/dbraw/zinc/02/61/92/244026192.db2.gz RTOCOCXZDMZFIE-SFHVURJKSA-N 1 1 339.464 3.546 40 0 EHABMO Cc1ccc(C[N@@H+]2CCC[C@H]2c2nc(C)ncc2CN(C)C)s1 ZINC000257224235 244194341 /nfs/dbraw/zinc/19/43/41/244194341.db2.gz FAXKKRMKFMQBHK-KRWDZBQOSA-N 1 1 330.501 3.554 40 0 EHABMO Cc1nccc([C@@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccccc3)C2)n1 ZINC000257242144 244247798 /nfs/dbraw/zinc/24/77/98/244247798.db2.gz IBGXDFCUOJGZFP-QGZVFWFLSA-N 1 1 333.439 3.555 40 0 EHABMO Cc1ccc(Nc2nccc([C@@H]3CCC[N@@H+]3Cc3cccnc3)n2)nc1 ZINC000072377636 203209559 /nfs/dbraw/zinc/20/95/59/203209559.db2.gz XUNBBUJVWDPIIG-SFHVURJKSA-N 1 1 346.438 3.656 40 0 EHABMO Cc1ccc(Nc2nccc([C@@H]3CCC[N@H+]3Cc3cccnc3)n2)nc1 ZINC000072377636 203209561 /nfs/dbraw/zinc/20/95/61/203209561.db2.gz XUNBBUJVWDPIIG-SFHVURJKSA-N 1 1 346.438 3.656 40 0 EHABMO Cc1cc(C)nc(Nc2cncc([C@H]3CCC[N@H+]3C3CCCC3)n2)n1 ZINC000072376194 203209688 /nfs/dbraw/zinc/20/96/88/203209688.db2.gz GMZQYAHVBRLGTN-QGZVFWFLSA-N 1 1 338.459 3.707 40 0 EHABMO Cc1ccsc1C[N@H+]1CCC[C@H]1c1cc(-c2ncc[nH]2)nc(C)n1 ZINC000257234600 244223053 /nfs/dbraw/zinc/22/30/53/244223053.db2.gz GUHVOPZEEQFZNL-INIZCTEOSA-N 1 1 339.468 3.882 40 0 EHABMO C[N@H+]1CC[C@@H](c2c3ccccc3sc2C(=O)NC2(C)CCC2)C1 ZINC000072352600 203205438 /nfs/dbraw/zinc/20/54/38/203205438.db2.gz IDWRRYXNOQIPFU-CYBMUJFWSA-N 1 1 328.481 3.993 40 0 EHABMO Cc1nn(C)c(C)c1C[N@H+]1CC[C@H](Cc2ccnc3ccccc23)C1 ZINC000257259902 244293970 /nfs/dbraw/zinc/29/39/70/244293970.db2.gz LAPHRQSGFRGQMO-QGZVFWFLSA-N 1 1 334.467 3.650 40 0 EHABMO c1cnc(Nc2ccc([C@@H]3CCCC[N@@H+]3Cc3ccncc3)cn2)cn1 ZINC000257248463 244262277 /nfs/dbraw/zinc/26/22/77/244262277.db2.gz JDTQCXTZZQRYMS-SFHVURJKSA-N 1 1 346.438 3.737 40 0 EHABMO Fc1ccccc1C[N@H+]1CCC[C@H](c2nnc(-c3ccncc3)o2)C1 ZINC000072389945 203214118 /nfs/dbraw/zinc/21/41/18/203214118.db2.gz DSOYQMFWYPKGQE-INIZCTEOSA-N 1 1 338.386 3.650 40 0 EHABMO COc1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)cc1 ZINC000049170082 204369556 /nfs/dbraw/zinc/36/95/56/204369556.db2.gz DNTVRFLZNOVSHU-KRWDZBQOSA-N 1 1 335.407 3.735 40 0 biogenic,in-vitro EHABMO CCOc1cccc(NC(=S)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000225729627 535470109 /nfs/dbraw/zinc/47/01/09/535470109.db2.gz ZATFVQHRZMIHSS-IYBDPMFKSA-N 1 1 349.544 3.740 40 0 EHABMO O=C1CC2(CC[NH+](Cc3ccc(F)cc3)CC2)Oc2ccccc21 ZINC000000022900 563211443 /nfs/dbraw/zinc/21/14/43/563211443.db2.gz MGINOXCBFMYLOZ-UHFFFAOYSA-N 1 1 325.383 3.826 40 0 EHABMO C[C@H]1C[C@@H](OC[C@H](O)C[N@H+]2CCc3ccccc3C2)CC(C)(C)C1 ZINC000005073900 563520926 /nfs/dbraw/zinc/52/09/26/563520926.db2.gz QUUUPSHLTILKRI-PWIZWCRZSA-N 1 1 331.500 3.637 40 0 EHABMO O=c1oc2ccccc2n1[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012119061 563653844 /nfs/dbraw/zinc/65/38/44/563653844.db2.gz OYQVAVKSYBRXCY-HNNXBMFYSA-N 1 1 326.371 3.571 40 0 EHABMO Cc1ccc(CN(Cc2cnc[nH]2)C2CC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC000012116742 563653972 /nfs/dbraw/zinc/65/39/72/563653972.db2.gz MJUOWHFFHDWKFN-UHFFFAOYSA-N 1 1 330.476 3.623 40 0 EHABMO CCOc1cc(C[N@@H+]2CCCCC[C@@H]2c2ccn(C)n2)ccc1O ZINC000012120267 563654269 /nfs/dbraw/zinc/65/42/69/563654269.db2.gz QSAHRSIFFRMVJB-QGZVFWFLSA-N 1 1 329.444 3.642 40 0 EHABMO CCOc1cc(C[N@H+]2CCCCC[C@@H]2c2ccn(C)n2)ccc1O ZINC000012120267 563654273 /nfs/dbraw/zinc/65/42/73/563654273.db2.gz QSAHRSIFFRMVJB-QGZVFWFLSA-N 1 1 329.444 3.642 40 0 EHABMO Cc1cc2cc(C(=O)NC[C@H](c3ccccc3F)[NH+](C)C)ccc2o1 ZINC000012198503 563656201 /nfs/dbraw/zinc/65/62/01/563656201.db2.gz WETSELJOAVKRNS-GOSISDBHSA-N 1 1 340.398 3.913 40 0 EHABMO Cc1nccc(-c2ccc(-c3noc(C[N@@H+]4CCC[C@@H](C)C4)n3)cc2)n1 ZINC000012337088 563658448 /nfs/dbraw/zinc/65/84/48/563658448.db2.gz OZXNVKOWPCMQHY-CQSZACIVSA-N 1 1 349.438 3.734 40 0 EHABMO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038857464 563922373 /nfs/dbraw/zinc/92/23/73/563922373.db2.gz SPRZNANNYXTDBM-CYBMUJFWSA-N 1 1 329.271 3.732 40 0 EHABMO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038857464 563922374 /nfs/dbraw/zinc/92/23/74/563922374.db2.gz SPRZNANNYXTDBM-CYBMUJFWSA-N 1 1 329.271 3.732 40 0 EHABMO C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000044933962 563928409 /nfs/dbraw/zinc/92/84/09/563928409.db2.gz ZIFSAIJUTHULLT-QFBILLFUSA-N 1 1 340.442 3.915 40 0 EHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CCc1ccccc1F ZINC000065740248 563962129 /nfs/dbraw/zinc/96/21/29/563962129.db2.gz HEULUXVUCZMDQQ-UHFFFAOYSA-N 1 1 337.398 3.569 40 0 EHABMO COC[C@@H]1C[N@H+](Cc2ccsc2)Cc2cn(CC3CCCC3)nc21 ZINC000096059986 563978859 /nfs/dbraw/zinc/97/88/59/563978859.db2.gz IMRRISINSZSPRX-SFHVURJKSA-N 1 1 345.512 3.881 40 0 EHABMO COC[C@@H]1C[N@@H+](Cc2ccsc2)Cc2cn(CC3CCCC3)nc21 ZINC000096059986 563978860 /nfs/dbraw/zinc/97/88/60/563978860.db2.gz IMRRISINSZSPRX-SFHVURJKSA-N 1 1 345.512 3.881 40 0 EHABMO Cc1cccc(NC(=O)N2CC[C@]3(C2)CCC[N@H+](CC(C)C)C3)c1 ZINC000096071573 563979049 /nfs/dbraw/zinc/97/90/49/563979049.db2.gz BOKLOVKPGPLQEP-HXUWFJFHSA-N 1 1 329.488 3.971 40 0 EHABMO O=C1N(CC2CC2)c2ccccc2[C@]12CC[N@@H+](Cc1ccsc1)C2 ZINC000096100321 563979240 /nfs/dbraw/zinc/97/92/40/563979240.db2.gz WQHPJIHCTQCVBD-HXUWFJFHSA-N 1 1 338.476 3.648 40 0 EHABMO Clc1cccc(CN2CC[C@]3(C2)C[C@H]([NH+]2CCCC2)CCO3)c1 ZINC000096207288 563980151 /nfs/dbraw/zinc/98/01/51/563980151.db2.gz AOBWUJOESPRIIY-RTBURBONSA-N 1 1 334.891 3.559 40 0 EHABMO c1ccc(C[C@H]2C[N@@H+](C3CCOCC3)CC[C@@H]2OCC2CC2)cc1 ZINC000096206260 563980174 /nfs/dbraw/zinc/98/01/74/563980174.db2.gz HNLFCIXVNKRYSE-FPOVZHCZSA-N 1 1 329.484 3.525 40 0 EHABMO Fc1cccc(C[N@H+]2CC[C@@]3(C2)CCCN(Cc2nccs2)C3)c1 ZINC000096215807 563980196 /nfs/dbraw/zinc/98/01/96/563980196.db2.gz WILAZDUQWKHPQA-IBGZPJMESA-N 1 1 345.487 3.770 40 0 EHABMO Cc1nc(COCC[C@@H]2C[N@H+](C3CCCC3)Cc3ccnn32)cs1 ZINC000248034269 564052942 /nfs/dbraw/zinc/05/29/42/564052942.db2.gz MXLTXBXUZHJFPC-GOSISDBHSA-N 1 1 346.500 3.554 40 0 EHABMO c1cc2c(cccc2C[C@H]2COCC[N@H+](Cc3cscn3)C2)o1 ZINC000257331846 564055583 /nfs/dbraw/zinc/05/55/83/564055583.db2.gz XUNGDBSSQDJDMC-CQSZACIVSA-N 1 1 328.437 3.580 40 0 EHABMO c1cc2c(cccc2C[C@H]2COCC[N@@H+](Cc3cscn3)C2)o1 ZINC000257331846 564055584 /nfs/dbraw/zinc/05/55/84/564055584.db2.gz XUNGDBSSQDJDMC-CQSZACIVSA-N 1 1 328.437 3.580 40 0 EHABMO c1cc(C[N@@H+]2C[C@H]3Cc4ncc(-c5ccccc5)n4C[C@@H]3C2)cs1 ZINC000306138283 564062301 /nfs/dbraw/zinc/06/23/01/564062301.db2.gz RUEIFCZMGVIEFB-MSOLQXFVSA-N 1 1 335.476 3.916 40 0 EHABMO Clc1ncccc1-c1noc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)n1 ZINC000253492699 564124629 /nfs/dbraw/zinc/12/46/29/564124629.db2.gz QVJFQLVCYIEWOD-TZMCWYRMSA-N 1 1 332.835 3.940 40 0 EHABMO Nc1nc(N)c2cc(CNc3ccc(Cl)c(Cl)c3)ccc2[nH+]1 ZINC000013207520 201887316 /nfs/dbraw/zinc/88/73/16/201887316.db2.gz LFMKPWQUJBLWEK-UHFFFAOYSA-N 1 1 334.210 3.713 40 0 EHABMO c1ccc(C[N@@H+](Cc2[nH]nnc2-c2ccccc2)C[C@@H]2CCCO2)cc1 ZINC000019371519 202005779 /nfs/dbraw/zinc/00/57/79/202005779.db2.gz XRZQPIQWAUOIGL-IBGZPJMESA-N 1 1 348.450 3.653 40 0 EHABMO c1ccc(C[N@H+](Cc2[nH]nnc2-c2ccccc2)C[C@@H]2CCCO2)cc1 ZINC000019371519 202005782 /nfs/dbraw/zinc/00/57/82/202005782.db2.gz XRZQPIQWAUOIGL-IBGZPJMESA-N 1 1 348.450 3.653 40 0 EHABMO COc1ccc2nc(C[N@@H+]3[C@@H]4CC[C@H]3Cc3ncccc34)ccc2c1 ZINC000019563654 202012071 /nfs/dbraw/zinc/01/20/71/202012071.db2.gz KGHKFRJKRONLDE-HRAATJIYSA-N 1 1 331.419 3.900 40 0 EHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(OC(C)C)cc2)cc1 ZINC000020104889 202031666 /nfs/dbraw/zinc/03/16/66/202031666.db2.gz RVWKWFPUYVQARI-UHFFFAOYSA-N 1 1 349.434 3.898 40 0 EHABMO CN(C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000225901943 242074856 /nfs/dbraw/zinc/07/48/56/242074856.db2.gz MWXLLMQBDZNZJB-KRWDZBQOSA-N 1 1 326.415 3.701 40 0 EHABMO Cc1cccc(Nc2cccc([C@@H]3CCC[N@H+]3Cc3cnn(C)c3)n2)n1 ZINC000072375395 203209735 /nfs/dbraw/zinc/20/97/35/203209735.db2.gz OBIVRTWOTBPTQQ-SFHVURJKSA-N 1 1 348.454 3.599 40 0 EHABMO Cc1cccc(Nc2cccc([C@@H]3CCC[N@@H+]3Cc3cnn(C)c3)n2)n1 ZINC000072375395 203209739 /nfs/dbraw/zinc/20/97/39/203209739.db2.gz OBIVRTWOTBPTQQ-SFHVURJKSA-N 1 1 348.454 3.599 40 0 EHABMO C=Cn1cc(C[N@H+]2CCC[C@H](c3cc4ccccc4c(=O)[nH]3)C2)c(C)n1 ZINC000072361000 203206084 /nfs/dbraw/zinc/20/60/84/203206084.db2.gz NCPHHEPAEQFJEM-KRWDZBQOSA-N 1 1 348.450 3.513 40 0 EHABMO CCOc1ccc(C[N@H+]2CCC[C@@H]2CCc2ccncc2)cc1CO ZINC000257241815 244245099 /nfs/dbraw/zinc/24/50/99/244245099.db2.gz HZSNBDRMFUDUQA-HXUWFJFHSA-N 1 1 340.467 3.570 40 0 EHABMO Cc1cccc(C[N@H+]2CCC[C@H](c3nnc(-c4cccnc4)o3)C2)c1 ZINC000072389991 203213570 /nfs/dbraw/zinc/21/35/70/203213570.db2.gz XYCKBOTURIGAPV-SFHVURJKSA-N 1 1 334.423 3.820 40 0 EHABMO Fc1ccccc1C[N@H+]1CCC[C@H](c2nnc(-c3cccnc3)o2)C1 ZINC000072389971 203213776 /nfs/dbraw/zinc/21/37/76/203213776.db2.gz AYTNDBMTQCSXOE-INIZCTEOSA-N 1 1 338.386 3.650 40 0 EHABMO Cc1nccc([C@@H]2CCC[N@@H+](Cc3c[nH]nc3-c3cccs3)C2)n1 ZINC000257267222 244364007 /nfs/dbraw/zinc/36/40/07/244364007.db2.gz MGLCVMFBXGWVGC-CQSZACIVSA-N 1 1 339.468 3.616 40 0 EHABMO Cc1cn(C)c([C@@H]2CCC[N@@H+](Cc3ccccc3N3CCCC3)C2)n1 ZINC000257264161 244355790 /nfs/dbraw/zinc/35/57/90/244355790.db2.gz LTEFHVCQBQVKFY-LJQANCHMSA-N 1 1 338.499 3.708 40 0 EHABMO Cc1[nH+]ccn1C[C@@H](O)Cn1c2c(c3cccc(Cl)c31)CCCC2 ZINC000012421954 211376022 /nfs/dbraw/zinc/37/60/22/211376022.db2.gz XRTJWNMAYDVIEE-CQSZACIVSA-N 1 1 343.858 3.740 40 0 EHABMO COc1c2c(cc3c1[C@H](CCCc1ccccc1)[N@@H+](C)CC3)OCO2 ZINC000001580883 563393856 /nfs/dbraw/zinc/39/38/56/563393856.db2.gz NGWNBLVYNIGAGH-KRWDZBQOSA-N 1 1 339.435 3.976 40 0 EHABMO CC[C@H](OC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000002694626 563445888 /nfs/dbraw/zinc/44/58/88/563445888.db2.gz QBKYHGIVYNYNLB-RTWAWAEBSA-N 1 1 325.452 3.574 40 0 EHABMO COc1cccc(OC[C@H]2[C@H]3CC[C@H](C3)[N@H+]2Cc2ccncc2C)c1 ZINC000012085298 563653161 /nfs/dbraw/zinc/65/31/61/563653161.db2.gz IEMFLXBMDNLARJ-CDXJDZJCSA-N 1 1 338.451 3.831 40 0 EHABMO COc1ccc(C[N@@H+]2CCCCC[C@H]2c2ccn(C)n2)cc1OC ZINC000012120265 563653918 /nfs/dbraw/zinc/65/39/18/563653918.db2.gz AMRAXHGJWUDODW-KRWDZBQOSA-N 1 1 329.444 3.555 40 0 EHABMO COc1ccc(C[N@H+]2CCCCC[C@H]2c2ccn(C)n2)cc1OC ZINC000012120265 563653920 /nfs/dbraw/zinc/65/39/20/563653920.db2.gz AMRAXHGJWUDODW-KRWDZBQOSA-N 1 1 329.444 3.555 40 0 EHABMO CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038832190 563922218 /nfs/dbraw/zinc/92/22/18/563922218.db2.gz XGFLQKRLDSZEPG-ZDUSSCGKSA-N 1 1 329.271 3.730 40 0 EHABMO CC(C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038832190 563922219 /nfs/dbraw/zinc/92/22/19/563922219.db2.gz XGFLQKRLDSZEPG-ZDUSSCGKSA-N 1 1 329.271 3.730 40 0 EHABMO COc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c1 ZINC000038834187 563922336 /nfs/dbraw/zinc/92/23/36/563922336.db2.gz WBCKPQSDMVWFQH-MRXNPFEDSA-N 1 1 342.414 3.685 40 0 EHABMO CCOc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038834271 563922390 /nfs/dbraw/zinc/92/23/90/563922390.db2.gz QGKRTJXLBHSKIU-SFHVURJKSA-N 1 1 338.451 3.936 40 0 EHABMO COc1cccc2cc(C(=O)N3CCC[C@@]4(CCC[N@H+]4C)CC3)oc21 ZINC000585099976 563971472 /nfs/dbraw/zinc/97/14/72/563971472.db2.gz BUTAKFOHVOQPSV-FQEVSTJZSA-N 1 1 342.439 3.532 40 0 EHABMO CC[C@@H](C)[N@@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)c3ccc(C)o3)[C@H]2C1 ZINC000585109717 563971632 /nfs/dbraw/zinc/97/16/32/563971632.db2.gz LHQCMVDYADQNEO-VYVMZURQSA-N 1 1 338.451 3.887 40 0 EHABMO C[C@H](c1ccccc1)[N@H+]1C[C@@H](c2ccccc2)[C@@H]2C(=O)CCOC[C@H]21 ZINC000095951565 563977852 /nfs/dbraw/zinc/97/78/52/563977852.db2.gz OTTGOHHGLRLZIS-QEMXTEJRSA-N 1 1 335.447 3.821 40 0 EHABMO Cc1noc(C)c1C[N@@H+]1C[C@@H]2C[C@@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC000096045845 563977983 /nfs/dbraw/zinc/97/79/83/563977983.db2.gz VYMOJMFLMVDSNK-RRQGHBQHSA-N 1 1 345.468 3.587 40 0 EHABMO Cc1noc(C)c1C[N@H+]1C[C@@H]2C[C@@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC000096045845 563977984 /nfs/dbraw/zinc/97/79/84/563977984.db2.gz VYMOJMFLMVDSNK-RRQGHBQHSA-N 1 1 345.468 3.587 40 0 EHABMO Cc1ccoc1C(=O)N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccco3)[C@@H]2C1 ZINC000096054580 563978746 /nfs/dbraw/zinc/97/87/46/563978746.db2.gz QBOZYILEXJSWSU-CGTJXYLNSA-N 1 1 342.439 3.554 40 0 EHABMO Cc1nc(COCc2cnc3n2CC[N@@H+](CC2CCC2)[C@H]3C)cs1 ZINC000096109871 563979310 /nfs/dbraw/zinc/97/93/10/563979310.db2.gz ZUGZPYQPXAODCX-ZDUSSCGKSA-N 1 1 346.500 3.542 40 0 EHABMO Cc1nc(COCc2cnc3n2CC[N@H+](CC2CCC2)[C@H]3C)cs1 ZINC000096109871 563979311 /nfs/dbraw/zinc/97/93/11/563979311.db2.gz ZUGZPYQPXAODCX-ZDUSSCGKSA-N 1 1 346.500 3.542 40 0 EHABMO [NH3+][C@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000072227532 563985938 /nfs/dbraw/zinc/98/59/38/563985938.db2.gz UOSWDLRIYQFBGL-ZIAGYGMSSA-N 1 1 340.732 3.774 40 0 EHABMO COc1ccc(-c2[nH+]c3cc(C)ccn3c2NC[C@@H]2CCCO2)cc1 ZINC000000888791 564001071 /nfs/dbraw/zinc/00/10/71/564001071.db2.gz NLNGPCBMSGHVER-KRWDZBQOSA-N 1 1 337.423 3.909 40 0 EHABMO Cc1[nH+]ccn1-c1ccc(CNC(=S)Nc2cccc(F)c2)cc1 ZINC000225457177 564046955 /nfs/dbraw/zinc/04/69/55/564046955.db2.gz YCGPOMSIYSWZBT-UHFFFAOYSA-N 1 1 340.427 3.806 40 0 EHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc(OC)cc1 ZINC000225580889 564048019 /nfs/dbraw/zinc/04/80/19/564048019.db2.gz VULUDCVZCRWCDI-MRXNPFEDSA-N 1 1 335.517 3.636 40 0 EHABMO Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)s1 ZINC000248119201 564052997 /nfs/dbraw/zinc/05/29/97/564052997.db2.gz ULHVZKGBOYPKKL-KBAYOESNSA-N 1 1 344.480 3.510 40 0 EHABMO Cn1cc(-c2ccc([C@H]3CCCC[N@H+]3Cc3cccnc3)cn2)cn1 ZINC000257297567 564054970 /nfs/dbraw/zinc/05/49/70/564054970.db2.gz RHVMCEABPINEJQ-HXUWFJFHSA-N 1 1 333.439 3.604 40 0 EHABMO COc1ccc2[nH]c(C[N@H+]3CC[C@H](c4nc(C)cc(C)n4)C3)cc2c1 ZINC000257327623 564055476 /nfs/dbraw/zinc/05/54/76/564055476.db2.gz XCBVSSNSDNFRNE-HNNXBMFYSA-N 1 1 336.439 3.573 40 0 EHABMO Fc1ccc(-c2cnc3n2C[C@@]2(CC[N@@H+](Cc4ccco4)C2)C3)cc1 ZINC000306132153 564062190 /nfs/dbraw/zinc/06/21/90/564062190.db2.gz LACJGGGCLAIBRS-FQEVSTJZSA-N 1 1 337.398 3.731 40 0 EHABMO Cc1ccc(C[N@H+]2C[C@@H]3Cn4c(-c5cccnc5)cnc4[C@@H]3C2)s1 ZINC000306143340 564062411 /nfs/dbraw/zinc/06/24/11/564062411.db2.gz XZQWBHARQRYLHK-NVXWUHKLSA-N 1 1 336.464 3.544 40 0 EHABMO C[N@H+]1CC[C@]2(CCN(Cc3cc(C(F)(F)F)ccc3Cl)C2)C1 ZINC000063527707 564066350 /nfs/dbraw/zinc/06/63/50/564066350.db2.gz ZFMDNVTZAQBDKQ-HNNXBMFYSA-N 1 1 332.797 3.886 40 0 EHABMO CCC(=O)c1ccc(OC[C@H](O)C[N@H+](CC)C2CCCCC2)cc1 ZINC000016739469 564085474 /nfs/dbraw/zinc/08/54/74/564085474.db2.gz NZZGMYGYXVRAOT-GOSISDBHSA-N 1 1 333.472 3.674 40 0 EHABMO O[C@H](C[N@H+]1CCC[C@@H](COc2ccccc2F)C1)c1cccs1 ZINC000019350255 564127942 /nfs/dbraw/zinc/12/79/42/564127942.db2.gz QCNGGSIXHAHXHM-GDBMZVCRSA-N 1 1 335.444 3.712 40 0 EHABMO C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000038832853 564128476 /nfs/dbraw/zinc/12/84/76/564128476.db2.gz TZJGCXIBJFIDOF-LPHOPBHVSA-N 1 1 340.442 3.915 40 0 EHABMO Cc1nnc([C@H](C)[NH+]2CCC(c3c[nH]c4ccc(F)cc43)CC2)[nH]1 ZINC000572373723 1036091497 /nfs/dbraw/zinc/09/14/97/1036091497.db2.gz PEPQMJOINCUIHL-NSHDSACASA-N 1 1 327.407 3.674 40 0 EHABMO Cc1cccc(C[N@@H+]2CCO[C@@H](c3nc(-c4ccccc4)no3)C2)c1 ZINC000019235047 202000370 /nfs/dbraw/zinc/00/03/70/202000370.db2.gz JHAOVEOZWMGTLC-GOSISDBHSA-N 1 1 335.407 3.619 40 0 EHABMO Cc1cccc(C[N@H+]2CCO[C@@H](c3nc(-c4ccccc4)no3)C2)c1 ZINC000019235047 202000373 /nfs/dbraw/zinc/00/03/73/202000373.db2.gz JHAOVEOZWMGTLC-GOSISDBHSA-N 1 1 335.407 3.619 40 0 EHABMO C[C@@H]1C[C@@H]1C(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)C[N@H+]2C ZINC000019463441 202009285 /nfs/dbraw/zinc/00/92/85/202009285.db2.gz LIADLCRLGJFXFF-OITRIXBGSA-N 1 1 344.474 3.651 40 0 EHABMO CCN1CC[NH+](Cc2c3cccnc3[nH]c2-c2ccc(F)cc2)CC1 ZINC000019528210 202010097 /nfs/dbraw/zinc/01/00/97/202010097.db2.gz SVMJWFLIAPBRJG-UHFFFAOYSA-N 1 1 338.430 3.507 40 0 EHABMO CCc1[nH+]ccn1C[C@H](C)C(=O)N[C@@H](C)c1nc2ccccc2s1 ZINC000019523586 202010607 /nfs/dbraw/zinc/01/06/07/202010607.db2.gz XRRKQCLBUFCHOB-STQMWFEESA-N 1 1 342.468 3.569 40 0 EHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)/C=C/c1ccc(F)cc1 ZINC000020453164 202043368 /nfs/dbraw/zinc/04/33/68/202043368.db2.gz GMOALLBACLWOAT-DHZHZOJOSA-N 1 1 335.382 3.649 40 0 EHABMO O[C@@](CC[NH+]1CCOCC1)(c1cccc(Cl)c1)C1CCCCC1 ZINC000031938046 202214408 /nfs/dbraw/zinc/21/44/08/202214408.db2.gz SIALJIYBPIHICY-LJQANCHMSA-N 1 1 337.891 3.830 40 0 EHABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cccnc1)Cc1cccc(OC)c1 ZINC000022931710 212335592 /nfs/dbraw/zinc/33/55/92/212335592.db2.gz WLHMTSYCPYGBGW-HXUWFJFHSA-N 1 1 339.483 3.577 40 0 EHABMO CC(C)C[N@H+]1CC[C@@H](c2cc(CCOc3ccc(F)c(F)c3)n[nH]2)C1 ZINC000072371202 203209227 /nfs/dbraw/zinc/20/92/27/203209227.db2.gz FFLBVYXJAGIVDL-CQSZACIVSA-N 1 1 349.425 3.755 40 0 EHABMO CC(C)C[N@@H+]1CC[C@@H](c2cc(CCOc3ccc(F)c(F)c3)[nH]n2)C1 ZINC000072371202 203209230 /nfs/dbraw/zinc/20/92/30/203209230.db2.gz FFLBVYXJAGIVDL-CQSZACIVSA-N 1 1 349.425 3.755 40 0 EHABMO CC(C)C[N@H+]1CC[C@@H](c2cc(CCOc3ccc(F)c(F)c3)[nH]n2)C1 ZINC000072371202 203209233 /nfs/dbraw/zinc/20/92/33/203209233.db2.gz FFLBVYXJAGIVDL-CQSZACIVSA-N 1 1 349.425 3.755 40 0 EHABMO Cc1cc(-c2cnc(C)nc2[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)on1 ZINC000072334674 203201855 /nfs/dbraw/zinc/20/18/55/203201855.db2.gz UGOFIKZCMWTORM-QGZVFWFLSA-N 1 1 349.438 3.523 40 0 EHABMO CC(C)(C)c1[nH]c2ncccc2c1CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000072393642 203214065 /nfs/dbraw/zinc/21/40/65/203214065.db2.gz SYCQOPTYMGTNAF-OAHLLOKOSA-N 1 1 326.488 3.531 40 0 EHABMO Clc1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4ccncc4)C3)o2)cc1 ZINC000049169440 204370353 /nfs/dbraw/zinc/37/03/53/204370353.db2.gz ZPNRCKMRFJHMSI-HNNXBMFYSA-N 1 1 340.814 3.775 40 0 biogenic,in-vitro EHABMO c1csc(-c2cnc3n2CC[C@]32CC[N@H+](Cc3ccccn3)C2)c1 ZINC000306133481 257921704 /nfs/dbraw/zinc/92/17/04/257921704.db2.gz MMXWELIBPRNKBS-IBGZPJMESA-N 1 1 336.464 3.554 40 0 EHABMO O=C(C[NH2+]Cc1ccccc1F)Nc1ccccc1N1CCCCC1 ZINC000035311476 132389436 /nfs/dbraw/zinc/38/94/36/132389436.db2.gz HVYJEJAFFPVGKF-UHFFFAOYSA-N 1 1 341.430 3.544 40 0 EHABMO C[N@@H+]1CC(=Cc2ccccc2)C2=NC(=S)N[C@@H](c3ccccc3)C2C1 ZINC000001641910 563398829 /nfs/dbraw/zinc/39/88/29/563398829.db2.gz CAJQQZSVKSXMPE-GTVARFKMSA-N 1 1 347.487 3.900 40 0 EHABMO CC[N@H+]1CCC[C@@H]1CNc1ncc(-c2ccccn2)c(-c2ccco2)n1 ZINC000012222127 563656181 /nfs/dbraw/zinc/65/61/81/563656181.db2.gz DRCLWTVEGSZKNL-OAHLLOKOSA-N 1 1 349.438 3.695 40 0 EHABMO C[C@H]1CCCC[N@H+]1Cc1nc(-c2ccc(-c3ccncn3)cc2)no1 ZINC000012239930 563656813 /nfs/dbraw/zinc/65/68/13/563656813.db2.gz AZOPHJDWLYNYLC-AWEZNQCLSA-N 1 1 335.411 3.568 40 0 EHABMO Cc1cc(-c2snnc2[C@@H]2CCC[N@H+](Cc3ccc(C)o3)C2)on1 ZINC000013227374 563692690 /nfs/dbraw/zinc/69/26/90/563692690.db2.gz QRNRHQQUQCFHIW-CYBMUJFWSA-N 1 1 344.440 3.783 40 0 EHABMO Clc1ncccc1-c1noc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)n1 ZINC000013265809 563693530 /nfs/dbraw/zinc/69/35/30/563693530.db2.gz QVJFQLVCYIEWOD-OCCSQVGLSA-N 1 1 332.835 3.940 40 0 EHABMO CC(=O)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]21 ZINC000019019523 563853337 /nfs/dbraw/zinc/85/33/37/563853337.db2.gz IUMUXNIYMHBKSD-UFYCRDLUSA-N 1 1 340.492 3.585 40 0 EHABMO Cc1ccc(C[N@@H+]2CCO[C@@H](c3nc(-c4ccccc4)no3)C2)cc1 ZINC000019210318 563854694 /nfs/dbraw/zinc/85/46/94/563854694.db2.gz QLEVRBOSRMEJRV-GOSISDBHSA-N 1 1 335.407 3.619 40 0 EHABMO Cc1ccc(C[N@H+]2CCO[C@@H](c3nc(-c4ccccc4)no3)C2)cc1 ZINC000019210318 563854699 /nfs/dbraw/zinc/85/46/99/563854699.db2.gz QLEVRBOSRMEJRV-GOSISDBHSA-N 1 1 335.407 3.619 40 0 EHABMO O=C([C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1)N1CCCC1 ZINC000038832671 563922195 /nfs/dbraw/zinc/92/21/95/563922195.db2.gz TZXPGJYTIYEZHS-CYBMUJFWSA-N 1 1 341.282 3.828 40 0 EHABMO C=Cn1ncc(C[N@@H+](CCCn2ccnc2)C[C@@H]2CC=CCC2)c1C ZINC000043277742 563925541 /nfs/dbraw/zinc/92/55/41/563925541.db2.gz LIYAXQDCXWCWDK-LJQANCHMSA-N 1 1 339.487 3.737 40 0 EHABMO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000044933965 563928394 /nfs/dbraw/zinc/92/83/94/563928394.db2.gz ZIFSAIJUTHULLT-VQIMIIECSA-N 1 1 340.442 3.915 40 0 EHABMO Cc1ccc(C[N@H+]2CC[C@H]3C[C@@H](c4ccnc(C)n4)O[C@@H]3C2)s1 ZINC000096046355 563978048 /nfs/dbraw/zinc/97/80/48/563978048.db2.gz DXFGISWPCUOKSF-JCGIZDLHSA-N 1 1 329.469 3.507 40 0 EHABMO Cc1ccc(C[N@H+]2CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C2)o1 ZINC000096051149 563978560 /nfs/dbraw/zinc/97/85/60/563978560.db2.gz GJPYKGKKZHMWLY-GOSISDBHSA-N 1 1 347.409 3.721 40 0 EHABMO Cc1ccc(C(=O)N2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)o1 ZINC000096051593 563978695 /nfs/dbraw/zinc/97/86/95/563978695.db2.gz MVPQXXUPMJQDTA-GOSISDBHSA-N 1 1 342.439 3.698 40 0 EHABMO Cc1ccc(C[NH+]2CCC3(C[C@@H]3C[N@H+](C)Cc3cccnc3)CC2)o1 ZINC000096238320 563980476 /nfs/dbraw/zinc/98/04/76/563980476.db2.gz LRNINHNTINOUMQ-LJQANCHMSA-N 1 1 339.483 3.717 40 0 EHABMO CNc1cc(C)c([C@H]2CCCN2C(=O)OCc2ccccc2)c[nH+]1 ZINC000072219036 563985746 /nfs/dbraw/zinc/98/57/46/563985746.db2.gz NMUFDIQJFRUMOL-QGZVFWFLSA-N 1 1 325.412 3.905 40 0 EHABMO CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000004019140 564004666 /nfs/dbraw/zinc/00/46/66/564004666.db2.gz OTTUUPAQKHWADJ-ZHNGQKSSSA-N 1 1 345.527 3.883 40 0 EHABMO C[C@@H]1[C@H](C[NH2+]CCCN(C)C)[C@@H](C)C[C@]2(C)Oc3ccccc3C[C@@H]12 ZINC000004026979 564004687 /nfs/dbraw/zinc/00/46/87/564004687.db2.gz LNUAAHAFERZTED-OAHNXUFLSA-N 1 1 344.543 3.830 40 0 EHABMO CCN(CC)C(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225574113 564047906 /nfs/dbraw/zinc/04/79/06/564047906.db2.gz HOQQBNWAMZANPD-UHFFFAOYSA-N 1 1 326.843 3.560 40 0 EHABMO Fc1cccc(C[N@H+]2CC[C@@H](c3nc(-c4cccs4)no3)C2)c1 ZINC000019293787 202002716 /nfs/dbraw/zinc/00/27/16/202002716.db2.gz HSTIACCKKDHAAS-CYBMUJFWSA-N 1 1 329.400 3.927 40 0 EHABMO COc1ccc(C[N@H+]2CC[C@@H](c3nc(-c4cccs4)no3)C2)cc1 ZINC000019554926 202011399 /nfs/dbraw/zinc/01/13/99/202011399.db2.gz YGLUDMUXRWIHLM-CQSZACIVSA-N 1 1 341.436 3.796 40 0 EHABMO C[N@H+]1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)C1CCC1 ZINC000019590176 202012562 /nfs/dbraw/zinc/01/25/62/202012562.db2.gz QWVWFTJBEUKGLQ-VAMGGRTRSA-N 1 1 326.484 3.656 40 0 EHABMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H](O)COCC12CC3CC(CC(C3)C1)C2 ZINC000035092979 213008407 /nfs/dbraw/zinc/00/84/07/213008407.db2.gz QWQMPFKMFZXHDM-URBSSHSUSA-N 1 1 335.532 3.843 40 0 EHABMO CCC[N@@H+]1CC=C(c2nn3c(nnc3-c3cccc(C)c3)s2)CC1 ZINC000226250232 201037994 /nfs/dbraw/zinc/03/79/94/201037994.db2.gz VXFXAZROJRFIHI-UHFFFAOYSA-N 1 1 339.468 3.660 40 0 EHABMO O=C1CC2(CC[NH+](Cc3ccc(F)cc3)CC2)Oc2cc(O)ccc21 ZINC000225819223 242053395 /nfs/dbraw/zinc/05/33/95/242053395.db2.gz VGAAMONDYJONFI-UHFFFAOYSA-N 1 1 341.382 3.531 40 0 EHABMO Cc1noc(C)c1-c1nccc([C@@H]2CCC[N@H+]2Cc2ccncc2C)n1 ZINC000257227183 244204029 /nfs/dbraw/zinc/20/40/29/244204029.db2.gz FOARKMRVOGGNNF-SFHVURJKSA-N 1 1 349.438 3.789 40 0 EHABMO Cc1ccc(Nc2nccc([C@@H]3CCC[N@@H+]3Cc3ccncc3)n2)nc1 ZINC000072377618 203209037 /nfs/dbraw/zinc/20/90/37/203209037.db2.gz OFOHWTDIFVCNKT-SFHVURJKSA-N 1 1 346.438 3.656 40 0 EHABMO Cc1ccc(Nc2nccc([C@@H]3CCC[N@H+]3Cc3ccncc3)n2)nc1 ZINC000072377618 203209042 /nfs/dbraw/zinc/20/90/42/203209042.db2.gz OFOHWTDIFVCNKT-SFHVURJKSA-N 1 1 346.438 3.656 40 0 EHABMO Cc1cccnc1Nc1cncc([C@@H]2CCC[N@H+](CC(C)C)C2)n1 ZINC000072354314 203205062 /nfs/dbraw/zinc/20/50/62/203205062.db2.gz IGZYSWZSLYMLKI-MRXNPFEDSA-N 1 1 325.460 3.759 40 0 EHABMO Clc1cccc(C[N@H+]2CC[C@H](c3nc(-c4ccncc4)no3)C2)c1 ZINC000072389919 203213379 /nfs/dbraw/zinc/21/33/79/203213379.db2.gz RTKIMRSEPVOONV-HNNXBMFYSA-N 1 1 340.814 3.775 40 0 EHABMO Cc1ccc(CN2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)s1 ZINC000107746898 204246814 /nfs/dbraw/zinc/24/68/14/204246814.db2.gz MYTKXKSDQRWZNI-WMZOPIPTSA-N 1 1 346.471 3.533 40 0 EHABMO Cc1ccc(C[N@@H+]2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)s1 ZINC000107746898 204246818 /nfs/dbraw/zinc/24/68/18/204246818.db2.gz MYTKXKSDQRWZNI-WMZOPIPTSA-N 1 1 346.471 3.533 40 0 EHABMO Cc1ccc(C[N@H+]2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)s1 ZINC000107746898 204246824 /nfs/dbraw/zinc/24/68/24/204246824.db2.gz MYTKXKSDQRWZNI-WMZOPIPTSA-N 1 1 346.471 3.533 40 0 EHABMO Cn1c2ccccc2nc1[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000049171169 204369409 /nfs/dbraw/zinc/36/94/09/204369409.db2.gz JVKRSAITKZJWCY-AWEZNQCLSA-N 1 1 327.378 3.841 40 0 biogenic,in-vitro EHABMO COc1ccccc1NC(=O)NCc1ccc(-n2cc[nH+]c2C)cc1 ZINC000225767619 537084634 /nfs/dbraw/zinc/08/46/34/537084634.db2.gz XSDCEQMVBBBZFT-UHFFFAOYSA-N 1 1 336.395 3.511 40 0 EHABMO CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1OC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000006617283 563574679 /nfs/dbraw/zinc/57/46/79/563574679.db2.gz QJAWMQQAZFJDAY-VMBXEPDQSA-N 1 1 343.511 3.637 40 0 EHABMO O=c1oc2ccccc2n1[C@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000012119226 563653856 /nfs/dbraw/zinc/65/38/56/563653856.db2.gz MLYNIYYRDQZBFQ-HNNXBMFYSA-N 1 1 344.361 3.710 40 0 EHABMO O=c1oc2ccccc2n1[C@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000012119226 563653858 /nfs/dbraw/zinc/65/38/58/563653858.db2.gz MLYNIYYRDQZBFQ-HNNXBMFYSA-N 1 1 344.361 3.710 40 0 EHABMO COc1ccc(C[N@H+]2CCCCC[C@@H]2c2cnn(C)c2)cc1OC ZINC000012120260 563653983 /nfs/dbraw/zinc/65/39/83/563653983.db2.gz QXGUQNBLAUVXQO-QGZVFWFLSA-N 1 1 329.444 3.555 40 0 EHABMO COc1ccc([C@@H]2C[N@@H+](CCc3ccccc3)C[C@H]2c2cc[nH]n2)cc1 ZINC000012128482 563654230 /nfs/dbraw/zinc/65/42/30/563654230.db2.gz HRPFCOZZRWHTNR-LEWJYISDSA-N 1 1 347.462 3.844 40 0 EHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000038848624 563922362 /nfs/dbraw/zinc/92/23/62/563922362.db2.gz BXFPQSXPBKTRSM-UHFFFAOYSA-N 1 1 339.826 3.823 40 0 EHABMO O=C1C[C@H]2[C@H](CC[N@H+]2CC2CCCCC2)N1Cc1cc(F)cc(F)c1 ZINC000585108921 563971694 /nfs/dbraw/zinc/97/16/94/563971694.db2.gz DPCLPPZBXCUVNN-OALUTQOASA-N 1 1 348.437 3.720 40 0 EHABMO O=C1N(c2ccsc2)CC[C@]12CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000096048742 563978366 /nfs/dbraw/zinc/97/83/66/563978366.db2.gz PGCPLEKOECIORY-IBGZPJMESA-N 1 1 344.455 3.906 40 0 EHABMO c1ccc(C[C@H]2[C@H](OCC3CC3)CC[N@H+]2CC2CCOCC2)cc1 ZINC000096061596 563978950 /nfs/dbraw/zinc/97/89/50/563978950.db2.gz NAVCDKQDSVWMHM-LEWJYISDSA-N 1 1 329.484 3.525 40 0 EHABMO Cc1occc1C(=O)N1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC000096157440 563979763 /nfs/dbraw/zinc/97/97/63/563979763.db2.gz JVHFNVUKEDTLLE-UHFFFAOYSA-N 1 1 344.480 3.778 40 0 EHABMO CCCCC(=O)N[C@@H]1CC2(CC[NH+](CCF)CC2)Oc2ccccc21 ZINC000096242745 563980559 /nfs/dbraw/zinc/98/05/59/563980559.db2.gz WNGFLMPNPZTDNG-QGZVFWFLSA-N 1 1 348.462 3.621 40 0 EHABMO Cc1cc(N2CCCC2)[nH+]cc1[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000072218867 563985664 /nfs/dbraw/zinc/98/56/64/563985664.db2.gz OSWKSWMZFYLTOC-IBGZPJMESA-N 1 1 335.451 3.968 40 0 EHABMO [NH3+][C@H]1C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(Cl)cc1Cl ZINC000072227661 563985925 /nfs/dbraw/zinc/98/59/25/563985925.db2.gz ARNLBCJANCBNPK-KGLIPLIRSA-N 1 1 325.170 3.548 40 0 EHABMO Cc1ccc([C@@H](c2nnnn2C2CCCCC2)[NH+]2CCCC2)cc1 ZINC000000883937 564000865 /nfs/dbraw/zinc/00/08/65/564000865.db2.gz KETGJTKGCALCFM-SFHVURJKSA-N 1 1 325.460 3.672 40 0 EHABMO COc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000004857012 564005423 /nfs/dbraw/zinc/00/54/23/564005423.db2.gz JSQQZZKZFHXRRY-ZXFUBFMLSA-N 1 1 345.512 3.530 40 0 EHABMO C[N@@H+](Cc1ccco1)[C@@H]1CCC[C@H]2CN(C(=O)c3ccccc3)C[C@H]21 ZINC000248120005 564052970 /nfs/dbraw/zinc/05/29/70/564052970.db2.gz MXPXKLFLAOYKER-DFQSSKMNSA-N 1 1 338.451 3.652 40 0 EHABMO Cc1cccnc1Nc1cc([C@@H]2CCC[N@H+]2Cc2cncn2C)ccn1 ZINC000257312076 564055230 /nfs/dbraw/zinc/05/52/30/564055230.db2.gz UMJSIMZYQOKKLO-SFHVURJKSA-N 1 1 348.454 3.599 40 0 EHABMO Cc1cccnc1Nc1cc([C@@H]2CCC[N@@H+]2Cc2cncn2C)ccn1 ZINC000257312076 564055231 /nfs/dbraw/zinc/05/52/31/564055231.db2.gz UMJSIMZYQOKKLO-SFHVURJKSA-N 1 1 348.454 3.599 40 0 EHABMO C[N@H+]1[C@H](c2cccc(C(F)(F)F)c2)C[C@]2(C)NC(=O)CCCC[C@H]12 ZINC000257315117 564055292 /nfs/dbraw/zinc/05/52/92/564055292.db2.gz UZZAAGACPILTLU-ZOBUZTSGSA-N 1 1 340.389 3.900 40 0 EHABMO Cc1c2cc(F)ccc2[nH]c1C(=O)N1CCC[C@@]2(C)[C@@H]1CCC[N@@H+]2C ZINC000257338897 564055717 /nfs/dbraw/zinc/05/57/17/564055717.db2.gz YZIOXMHRGHXPHS-PXNSSMCTSA-N 1 1 343.446 3.704 40 0 EHABMO c1csc(-c2cnc3n2CC[C@@]32CC[N@H+](Cc3ccccn3)C2)c1 ZINC000306133482 564062275 /nfs/dbraw/zinc/06/22/75/564062275.db2.gz MMXWELIBPRNKBS-LJQANCHMSA-N 1 1 336.464 3.554 40 0 EHABMO Cc1ccc2[nH]c(CO[C@H]3C[N@H+](C4CCCCC4)C[C@H]3F)nc2c1 ZINC000096112304 564145353 /nfs/dbraw/zinc/14/53/53/564145353.db2.gz OUGXUNDKYIDABE-QAPCUYQASA-N 1 1 331.435 3.743 40 0 biogenic,in-vitro EHABMO Cc1ccc2nc(CO[C@H]3C[N@@H+](C4CCCCC4)C[C@H]3F)[nH]c2c1 ZINC000096112304 564145354 /nfs/dbraw/zinc/14/53/54/564145354.db2.gz OUGXUNDKYIDABE-QAPCUYQASA-N 1 1 331.435 3.743 40 0 biogenic,in-vitro EHABMO Cc1ccc2nc(CO[C@H]3C[N@H+](C4CCCCC4)C[C@H]3F)[nH]c2c1 ZINC000096112304 564145355 /nfs/dbraw/zinc/14/53/55/564145355.db2.gz OUGXUNDKYIDABE-QAPCUYQASA-N 1 1 331.435 3.743 40 0 biogenic,in-vitro EHABMO COc1ccc(OC)c(C[N@@H+]2CCCCC[C@H]2c2ccn(C)n2)c1 ZINC000019291064 202002018 /nfs/dbraw/zinc/00/20/18/202002018.db2.gz HXTPTJCJQMHHHU-SFHVURJKSA-N 1 1 329.444 3.555 40 0 EHABMO COc1ccc(OC)c(C[N@H+]2CCCCC[C@H]2c2ccn(C)n2)c1 ZINC000019291064 202002021 /nfs/dbraw/zinc/00/20/21/202002021.db2.gz HXTPTJCJQMHHHU-SFHVURJKSA-N 1 1 329.444 3.555 40 0 EHABMO O=c1cc([C@@H]2CCCC[N@H+]2Cc2ccccc2)nc(-c2ccccn2)[nH]1 ZINC000019372019 202005024 /nfs/dbraw/zinc/00/50/24/202005024.db2.gz JFNGPAILAVSMQP-IBGZPJMESA-N 1 1 346.434 3.559 40 0 EHABMO C[C@H]1C[C@@H]1C(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)C[N@H+]2C ZINC000019463443 202009163 /nfs/dbraw/zinc/00/91/63/202009163.db2.gz LIADLCRLGJFXFF-UPWFSPPHSA-N 1 1 344.474 3.651 40 0 EHABMO CCn1ncc(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c1C ZINC000019523912 202010632 /nfs/dbraw/zinc/01/06/32/202010632.db2.gz LKUSTLHFCVPCRT-LJQANCHMSA-N 1 1 331.435 3.532 40 0 EHABMO CCn1ncc(C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c1C ZINC000019523912 202010634 /nfs/dbraw/zinc/01/06/34/202010634.db2.gz LKUSTLHFCVPCRT-LJQANCHMSA-N 1 1 331.435 3.532 40 0 EHABMO CN1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCC[N@H+]2Cc1ccccn1 ZINC000019590199 202012983 /nfs/dbraw/zinc/01/29/83/202012983.db2.gz QSHYNEGHXYXLGS-YPAWHYETSA-N 1 1 335.495 3.924 40 0 EHABMO C[N@@H+]1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2Cc1ccccn1 ZINC000019590199 202012986 /nfs/dbraw/zinc/01/29/86/202012986.db2.gz QSHYNEGHXYXLGS-YPAWHYETSA-N 1 1 335.495 3.924 40 0 EHABMO C[N@H+]1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2Cc1ccccn1 ZINC000019590199 202012991 /nfs/dbraw/zinc/01/29/91/202012991.db2.gz QSHYNEGHXYXLGS-YPAWHYETSA-N 1 1 335.495 3.924 40 0 EHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cccc(Cl)c2)cc1 ZINC000019934037 202026664 /nfs/dbraw/zinc/02/66/64/202026664.db2.gz NLJFWDHEYKPCIM-UHFFFAOYSA-N 1 1 325.799 3.764 40 0 EHABMO C[N@H+](Cc1cnc(Cl)s1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000072203514 216069238 /nfs/dbraw/zinc/06/92/38/216069238.db2.gz BRSSSSXZEKROCF-LLVKDONJSA-N 1 1 345.896 3.628 40 0 EHABMO C[N@@H+](Cc1cnc(Cl)s1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000072203514 216069241 /nfs/dbraw/zinc/06/92/41/216069241.db2.gz BRSSSSXZEKROCF-LLVKDONJSA-N 1 1 345.896 3.628 40 0 EHABMO Cc1cc(OC[C@@H](O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc(C)c1Cl ZINC000037530298 202345473 /nfs/dbraw/zinc/34/54/73/202345473.db2.gz LTOMHKXZZHIXOP-ZENOOKHLSA-N 1 1 325.880 3.674 40 0 EHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCc2ccccc2Cl)cc1 ZINC000038857430 202407861 /nfs/dbraw/zinc/40/78/61/202407861.db2.gz VIVBUSYVJBEEBS-UHFFFAOYSA-N 1 1 339.826 3.823 40 0 EHABMO CCc1nccn1-c1cccc([C@H]2CCC[N@H+]2Cc2ccccn2)n1 ZINC000072379050 203210040 /nfs/dbraw/zinc/21/00/40/203210040.db2.gz LUEXEJXCAKTYOJ-GOSISDBHSA-N 1 1 333.439 3.562 40 0 EHABMO Cn1cncc1-c1cccc([C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000257235553 244227407 /nfs/dbraw/zinc/22/74/07/244227407.db2.gz GYHRYLIQBIVGJM-SFHVURJKSA-N 1 1 332.451 3.862 40 0 EHABMO CC(=O)N1CCCCC[C@@H]2[C@@H]1CC[N@@H+]2C/C(C)=C/c1ccccc1 ZINC000257246212 244257753 /nfs/dbraw/zinc/25/77/53/244257753.db2.gz ITCFMCXHZZMHSX-MRUCNHBDSA-N 1 1 326.484 3.955 40 0 EHABMO c1ccc(CC[N@H+]2CCC[C@@H]2c2ccc(Nc3cnccn3)cn2)cc1 ZINC000072352990 203204076 /nfs/dbraw/zinc/20/40/76/203204076.db2.gz DWLCWFRASQSTAD-HXUWFJFHSA-N 1 1 345.450 3.995 40 0 EHABMO Cc1cccc(-c2nccnc2[C@@H]2CCC[N@H+](Cc3cnn(C)c3)C2)c1 ZINC000072359049 203204447 /nfs/dbraw/zinc/20/44/47/203204447.db2.gz JZGYMJWZPLDJGB-LJQANCHMSA-N 1 1 347.466 3.565 40 0 EHABMO Cc1nc(Nc2ncccn2)cc([C@@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000072360097 203205213 /nfs/dbraw/zinc/20/52/13/203205213.db2.gz QBIWAXRTLOYPDU-SFHVURJKSA-N 1 1 346.438 3.656 40 0 EHABMO CCc1nccn1-c1cncc([C@@H]2CCC[N@H+](C3CCCCC3)C2)n1 ZINC000072355519 203205318 /nfs/dbraw/zinc/20/53/18/203205318.db2.gz FVJXJYMQQPZIKP-MRXNPFEDSA-N 1 1 339.487 3.737 40 0 EHABMO CNC(=O)CCc1cc(C)nc([C@@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000072360429 203206189 /nfs/dbraw/zinc/20/61/89/203206189.db2.gz SEYXROIXSZDNRW-IBGZPJMESA-N 1 1 329.488 3.538 40 0 EHABMO Cc1cccnc1Nc1ccc(C2CC[NH+](Cc3ncc[nH]3)CC2)nc1 ZINC000072374289 203208641 /nfs/dbraw/zinc/20/86/41/203208641.db2.gz QNLABNLUDUWPKL-UHFFFAOYSA-N 1 1 348.454 3.631 40 0 EHABMO Cc1cccc(C[N@H+]2CCC[C@H](c3nnc(-c4ccncc4)o3)C2)c1 ZINC000072389961 203213521 /nfs/dbraw/zinc/21/35/21/203213521.db2.gz JISVTBYZXOFODH-SFHVURJKSA-N 1 1 334.423 3.820 40 0 EHABMO Cc1ccccc1C[N@H+]1CCC[C@H](c2nnc(-c3ccccn3)o2)C1 ZINC000072390039 203213814 /nfs/dbraw/zinc/21/38/14/203213814.db2.gz ACAIHUAVHMLIAE-KRWDZBQOSA-N 1 1 334.423 3.820 40 0 EHABMO c1cnc(Nc2cncc([C@@H]3CCC[N@H+](C4CCCCC4)C3)n2)cn1 ZINC000257259962 244293401 /nfs/dbraw/zinc/29/34/01/244293401.db2.gz LAUDHLIXWFQSNL-OAHLLOKOSA-N 1 1 338.459 3.522 40 0 EHABMO Cc1ncc(-c2cc([C@H]3CCC[N@H+]3Cc3cccnc3)ccn2)n1C ZINC000257273114 244382153 /nfs/dbraw/zinc/38/21/53/244382153.db2.gz NFIBEFOZYVFHFW-LJQANCHMSA-N 1 1 333.439 3.523 40 0 EHABMO CCCC[N@@H+](CCO)CCCNc1ccnc2cc(Cl)ccc21 ZINC000001706246 563405362 /nfs/dbraw/zinc/40/53/62/563405362.db2.gz CIWWULIGACDIDJ-UHFFFAOYSA-N 1 1 335.879 3.785 40 0 EHABMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cc(C3CCCCC3)no2)C1 ZINC000012199554 563656084 /nfs/dbraw/zinc/65/60/84/563656084.db2.gz XMKNDZJZAUHZHM-HNNXBMFYSA-N 1 1 333.476 3.573 40 0 EHABMO C[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccc(-c3ccncn3)cc2)no1 ZINC000012239927 563656777 /nfs/dbraw/zinc/65/67/77/563656777.db2.gz AZOPHJDWLYNYLC-CQSZACIVSA-N 1 1 335.411 3.568 40 0 EHABMO CCCNC(=O)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038857474 563922366 /nfs/dbraw/zinc/92/23/66/563922366.db2.gz XSEPINCMZAXIQJ-LBPRGKRZSA-N 1 1 329.271 3.732 40 0 EHABMO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038857474 563922367 /nfs/dbraw/zinc/92/23/67/563922367.db2.gz XSEPINCMZAXIQJ-LBPRGKRZSA-N 1 1 329.271 3.732 40 0 EHABMO O=C(NC[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(Cl)cc1Cl ZINC000000035458 563964059 /nfs/dbraw/zinc/96/40/59/563964059.db2.gz GPXNHBGCMKQUQP-WBMJQRKESA-N 1 1 341.282 3.988 40 0 EHABMO CC(C)C[N@H+]1CC[C@]12CCCN(C(=O)c1nccc3ccccc31)C2 ZINC000585101927 563971486 /nfs/dbraw/zinc/97/14/86/563971486.db2.gz LSGKVDWWEUMTIE-NRFANRHFSA-N 1 1 337.467 3.571 40 0 EHABMO c1csc(CN2CCC3(CCC[N@H+]3Cc3cccnc3)CC2)c1 ZINC000096049310 563978451 /nfs/dbraw/zinc/97/84/51/563978451.db2.gz VWGPHOVUYBNARU-UHFFFAOYSA-N 1 1 327.497 3.774 40 0 EHABMO c1csc(C[NH+]2CCC3(CCCN3Cc3cccnc3)CC2)c1 ZINC000096049310 563978452 /nfs/dbraw/zinc/97/84/52/563978452.db2.gz VWGPHOVUYBNARU-UHFFFAOYSA-N 1 1 327.497 3.774 40 0 EHABMO C[N@@H+](Cc1ccco1)[C@@H]1CCC12CCN(C(=O)c1ccsc1)CC2 ZINC000096051580 563978579 /nfs/dbraw/zinc/97/85/79/563978579.db2.gz AXYOHUIXRYLTAV-QGZVFWFLSA-N 1 1 344.480 3.858 40 0 EHABMO COC[C@@H]1C[N@H+](Cc2ccc(C)o2)Cc2cn(CC3CCCC3)nc21 ZINC000096059990 563978881 /nfs/dbraw/zinc/97/88/81/563978881.db2.gz UBTFSDKTLMHCTG-SFHVURJKSA-N 1 1 343.471 3.721 40 0 EHABMO COC[C@@H]1C[N@@H+](Cc2ccc(C)o2)Cc2cn(CC3CCCC3)nc21 ZINC000096059990 563978882 /nfs/dbraw/zinc/97/88/82/563978882.db2.gz UBTFSDKTLMHCTG-SFHVURJKSA-N 1 1 343.471 3.721 40 0 EHABMO O=C(c1ccccc1)N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC000096239485 563980459 /nfs/dbraw/zinc/98/04/59/563980459.db2.gz CBPXQZJJQSJXEX-OAQYLSRUSA-N 1 1 338.426 3.706 40 0 EHABMO O=C(c1ccccc1)N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC000096239485 563980460 /nfs/dbraw/zinc/98/04/60/563980460.db2.gz CBPXQZJJQSJXEX-OAQYLSRUSA-N 1 1 338.426 3.706 40 0 EHABMO Cc1cc([C@H]2CCC[N@H+]2Cc2ccccc2)cnc1N1CCOCC1 ZINC000072219330 563985798 /nfs/dbraw/zinc/98/57/98/563985798.db2.gz AVBPJGLDCZGCRS-HXUWFJFHSA-N 1 1 337.467 3.564 40 0 EHABMO CC(=O)N1CC[C@H]2[C@H]1CCCCC[N@@H+]2C/C(C)=C/c1ccccc1 ZINC000019712352 564023804 /nfs/dbraw/zinc/02/38/04/564023804.db2.gz ZLCJCZXNGDKSFX-SOZVNFAGSA-N 1 1 326.484 3.955 40 0 EHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)Cc1ccc(C)cc1C ZINC000225578593 564047958 /nfs/dbraw/zinc/04/79/58/564047958.db2.gz RPHSQJHBUQAQGL-UHFFFAOYSA-N 1 1 333.435 3.656 40 0 EHABMO CC(C)Oc1cccc(NC(=S)NCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000260732758 564052457 /nfs/dbraw/zinc/05/24/57/564052457.db2.gz AVQILOGLBPSMDE-INIZCTEOSA-N 1 1 349.544 3.882 40 0 EHABMO c1cc2n(c1)C[C@@H](OCc1ccncc1)C[N@@H+](Cc1ccsc1)C2 ZINC000247958917 564052864 /nfs/dbraw/zinc/05/28/64/564052864.db2.gz NOLSKKTZMDZKBJ-IBGZPJMESA-N 1 1 339.464 3.546 40 0 EHABMO c1cc2n(c1)C[C@@H](OCc1ccncc1)C[N@H+](Cc1ccsc1)C2 ZINC000247958917 564052865 /nfs/dbraw/zinc/05/28/65/564052865.db2.gz NOLSKKTZMDZKBJ-IBGZPJMESA-N 1 1 339.464 3.546 40 0 EHABMO c1cnc(Nc2ccc([C@@H]3CCCC[N@H+]3Cc3cccnc3)cn2)nc1 ZINC000257297851 564055012 /nfs/dbraw/zinc/05/50/12/564055012.db2.gz RIZWCONNYNLLMX-SFHVURJKSA-N 1 1 346.438 3.737 40 0 EHABMO c1cnc(Nc2ccc([C@@H]3CCCC[N@@H+]3Cc3cccnc3)cn2)nc1 ZINC000257297851 564055013 /nfs/dbraw/zinc/05/50/13/564055013.db2.gz RIZWCONNYNLLMX-SFHVURJKSA-N 1 1 346.438 3.737 40 0 EHABMO Cc1ncc(-c2nccnc2[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1C ZINC000257326091 564055503 /nfs/dbraw/zinc/05/55/03/564055503.db2.gz WVTJYUMRDDUYIJ-SFHVURJKSA-N 1 1 347.466 3.565 40 0 EHABMO Cc1cccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3CC3CCCCC3)n2)c1 ZINC000015674371 564070508 /nfs/dbraw/zinc/07/05/08/564070508.db2.gz PGNZKSRJYJKCPI-MSOLQXFVSA-N 1 1 341.455 3.733 40 0 biogenic,in-vitro EHABMO CC[C@@H](C)Nc1nc(N2Cc3ccccc3C[C@H]2C)cc(C2CC2)[nH+]1 ZINC000328982156 564071210 /nfs/dbraw/zinc/07/12/10/564071210.db2.gz GYESPJGCSYDXLA-HUUCEWRRSA-N 1 1 336.483 3.938 40 0 EHABMO CC[N@H+](C(c1ccccc1)c1ccccc1)[C@]1(C)CCS(=O)(=O)C1 ZINC000575423140 564079152 /nfs/dbraw/zinc/07/91/52/564079152.db2.gz YLSRSLJDHYQCSY-HXUWFJFHSA-N 1 1 343.492 3.675 40 0 EHABMO CC[N@@H+](C(c1ccccc1)c1ccccc1)[C@]1(C)CCS(=O)(=O)C1 ZINC000575423140 564079153 /nfs/dbraw/zinc/07/91/53/564079153.db2.gz YLSRSLJDHYQCSY-HXUWFJFHSA-N 1 1 343.492 3.675 40 0 EHABMO COc1cccc(C[N@@H+]2CCCCC[C@@H]2c2ccn(C)n2)c1OC ZINC000019291089 202002206 /nfs/dbraw/zinc/00/22/06/202002206.db2.gz RRNGZTDLVBTDCU-QGZVFWFLSA-N 1 1 329.444 3.555 40 0 EHABMO COc1cccc(C[N@H+]2CCCCC[C@@H]2c2ccn(C)n2)c1OC ZINC000019291089 202002209 /nfs/dbraw/zinc/00/22/09/202002209.db2.gz RRNGZTDLVBTDCU-QGZVFWFLSA-N 1 1 329.444 3.555 40 0 EHABMO CCc1ncc(CN(Cc2cccs2)C[C@H]2CCC[N@@H+]2CC)cn1 ZINC000019523293 202010513 /nfs/dbraw/zinc/01/05/13/202010513.db2.gz JIKSFYIPJOYICO-QGZVFWFLSA-N 1 1 344.528 3.587 40 0 EHABMO C[N@H+](Cc1c2cccnc2[nH]c1-c1ccco1)C[C@H](O)c1ccccc1 ZINC000019586384 202012326 /nfs/dbraw/zinc/01/23/26/202012326.db2.gz VPVVMGPLEUXTFB-SFHVURJKSA-N 1 1 347.418 3.988 40 0 EHABMO Cn1ccc2cc(C[C@@H]3COCC[N@@H+](CCC(F)(F)F)C3)ccc21 ZINC000257206442 244136478 /nfs/dbraw/zinc/13/64/78/244136478.db2.gz BDLMOVPUVMFTRS-HNNXBMFYSA-N 1 1 340.389 3.622 40 0 EHABMO CCCn1nccc1-c1cc([C@@H]2CCC[N@H+](C(C)C)C2)nc(C)n1 ZINC000257209757 244145763 /nfs/dbraw/zinc/14/57/63/244145763.db2.gz BRTFORFXHAFPLZ-MRXNPFEDSA-N 1 1 327.476 3.646 40 0 EHABMO Cc1nc(-c2ccnn2C(C)C)cc([C@@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000257213829 244160905 /nfs/dbraw/zinc/16/09/05/244160905.db2.gz CJFWNJQIXOAYIS-MRXNPFEDSA-N 1 1 327.476 3.817 40 0 EHABMO c1cc2ccc(C[C@@H]3COCC[N@@H+](Cc4cncs4)C3)cc2o1 ZINC000257245200 244256305 /nfs/dbraw/zinc/25/63/05/244256305.db2.gz IOMNUMVDWWPYGK-HNNXBMFYSA-N 1 1 328.437 3.580 40 0 EHABMO CC1(C)NC(=N)NC(=[NH2+])N1c1ccc2c(Cl)c(Cl)ccc2c1 ZINC000001702464 563404975 /nfs/dbraw/zinc/40/49/75/563404975.db2.gz FTYBSFGSOKEVRK-UHFFFAOYSA-N 1 1 336.226 3.751 40 0 EHABMO CC[C@@H](OC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000006356106 563565797 /nfs/dbraw/zinc/56/57/97/563565797.db2.gz QBKYHGIVYNYNLB-NHCUHLMSSA-N 1 1 325.452 3.574 40 0 EHABMO Cc1ccsc1C[N@@H+](Cc1c[nH]nc1-c1ccccc1)C[C@H](C)O ZINC000012147045 563655041 /nfs/dbraw/zinc/65/50/41/563655041.db2.gz WZIVICRJRAVLEV-HNNXBMFYSA-N 1 1 341.480 3.830 40 0 EHABMO C[C@@H]1C[N@@H+](C)CC[C@@H]1CCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000012182107 563655148 /nfs/dbraw/zinc/65/51/48/563655148.db2.gz GBOVVLCBJFNDBS-AEFFLSMTSA-N 1 1 337.467 3.854 40 0 EHABMO Cc1[nH+]ccn1CCCC(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000019288131 563855362 /nfs/dbraw/zinc/85/53/62/563855362.db2.gz SNQZNLPLYUQRJG-UHFFFAOYSA-N 1 1 340.452 3.658 40 0 EHABMO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038849433 563922383 /nfs/dbraw/zinc/92/23/83/563922383.db2.gz NTCCQPIBSBZLQO-SFHVURJKSA-N 1 1 338.451 3.854 40 0 EHABMO CC[C@@H](C)[N@H+]1CCC[C@]2(CCC(=O)N2Cc2csc(C)n2)CC1 ZINC000585100791 563971479 /nfs/dbraw/zinc/97/14/79/563971479.db2.gz WSFJDOUUTOEEBZ-KDOFPFPSSA-N 1 1 335.517 3.597 40 0 EHABMO CC[C@@H](C)C[N@@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)c3ccncc3)[C@H]2C1 ZINC000585109817 563971609 /nfs/dbraw/zinc/97/16/09/563971609.db2.gz WVLONEOFHFCSEG-PSOYPTMXSA-N 1 1 349.478 3.628 40 0 EHABMO c1cc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccccn2)C3)cs1 ZINC000096046945 563978101 /nfs/dbraw/zinc/97/81/01/563978101.db2.gz DLEDZNHLVRZYAZ-IBGZPJMESA-N 1 1 327.497 3.631 40 0 EHABMO c1cc(CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccccn2)C3)cs1 ZINC000096046945 563978102 /nfs/dbraw/zinc/97/81/02/563978102.db2.gz DLEDZNHLVRZYAZ-IBGZPJMESA-N 1 1 327.497 3.631 40 0 EHABMO c1cc(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccn2)C3)cs1 ZINC000096046945 563978103 /nfs/dbraw/zinc/97/81/03/563978103.db2.gz DLEDZNHLVRZYAZ-IBGZPJMESA-N 1 1 327.497 3.631 40 0 EHABMO CC(C)c1nccc([C@@H]2C[C@@H]3CC[N@@H+](Cc4ccoc4)C[C@H]3O2)n1 ZINC000096046391 563978126 /nfs/dbraw/zinc/97/81/26/563978126.db2.gz JGHPNAHFNSHOMR-RYQLBKOJSA-N 1 1 327.428 3.545 40 0 EHABMO O=C(c1cccs1)N1CCC[C@@]2(CC[N@@H+](Cc3cccs3)C2)C1 ZINC000096047008 563978208 /nfs/dbraw/zinc/97/82/08/563978208.db2.gz FWPXDBYSDBQHQI-SFHVURJKSA-N 1 1 346.521 3.938 40 0 EHABMO Cc1cccc(CN2CC[C@]3(CC[N@@H+](Cc4cccs4)C3)C2=O)c1 ZINC000096050561 563978432 /nfs/dbraw/zinc/97/84/32/563978432.db2.gz BHOZUNMQYGTNIC-FQEVSTJZSA-N 1 1 340.492 3.681 40 0 EHABMO Cc1cccc(CN2CC[C@@]3(CC[N@@H+](Cc4cccs4)C3)C2=O)c1 ZINC000096050562 563978436 /nfs/dbraw/zinc/97/84/36/563978436.db2.gz BHOZUNMQYGTNIC-HXUWFJFHSA-N 1 1 340.492 3.681 40 0 EHABMO COC[C@@H]1C[N@H+](Cc2cccs2)Cc2cn(CC3CCCC3)nc21 ZINC000096059982 563978884 /nfs/dbraw/zinc/97/88/84/563978884.db2.gz VWSYPLRGOUDSLC-KRWDZBQOSA-N 1 1 345.512 3.881 40 0 EHABMO COC[C@@H]1C[N@@H+](Cc2cccs2)Cc2cn(CC3CCCC3)nc21 ZINC000096059982 563978885 /nfs/dbraw/zinc/97/88/85/563978885.db2.gz VWSYPLRGOUDSLC-KRWDZBQOSA-N 1 1 345.512 3.881 40 0 EHABMO CCc1ccc([C@@H]2[C@H]([NH3+])C(=O)N2c2ccc(Cl)c(Cl)c2)cc1 ZINC000072227818 563985988 /nfs/dbraw/zinc/98/59/88/563985988.db2.gz PYTVKHOJNPMDIL-JKSUJKDBSA-N 1 1 335.234 3.971 40 0 EHABMO [NH3+][C@@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1F ZINC000072227814 563986009 /nfs/dbraw/zinc/98/60/09/563986009.db2.gz QGDUEHXXYMQXNL-UONOGXRCSA-N 1 1 325.170 3.548 40 0 EHABMO Cc1ccc(OCC[N@H+]2CC[C@@H](c3nc(-c4ccccc4)no3)C2)cc1 ZINC000072369846 563991012 /nfs/dbraw/zinc/99/10/12/563991012.db2.gz UKOBQRYXYFTMCW-GOSISDBHSA-N 1 1 349.434 3.913 40 0 EHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2c(F)cccc2F)cc1 ZINC000225297200 564045717 /nfs/dbraw/zinc/04/57/17/564045717.db2.gz JGITVKHOBXPHCP-UHFFFAOYSA-N 1 1 327.334 3.770 40 0 EHABMO CCC(CC)NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225589536 564048073 /nfs/dbraw/zinc/04/80/73/564048073.db2.gz QNGCGVUBSUMVCR-UHFFFAOYSA-N 1 1 340.870 3.996 40 0 EHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(OC)c(Cl)c1 ZINC000225607252 564048320 /nfs/dbraw/zinc/04/83/20/564048320.db2.gz KSDZKDVSSJOWFC-OAHLLOKOSA-N 1 1 338.879 3.733 40 0 EHABMO Cc1cccnc1Nc1cc([C@H]2CCC[N@@H+]2Cc2cnn(C)c2)ccn1 ZINC000257311434 564055248 /nfs/dbraw/zinc/05/52/48/564055248.db2.gz UJLDGXLGJUVEQW-GOSISDBHSA-N 1 1 348.454 3.599 40 0 EHABMO CC(=O)NCc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2Cl)nc1 ZINC000257334295 564055647 /nfs/dbraw/zinc/05/56/47/564055647.db2.gz YFHCCXDIGYACPM-LJQANCHMSA-N 1 1 343.858 3.708 40 0 EHABMO CC(=O)NCc1ccc([C@H]2CCC[N@H+]2Cc2ccccc2Cl)nc1 ZINC000257334295 564055648 /nfs/dbraw/zinc/05/56/48/564055648.db2.gz YFHCCXDIGYACPM-LJQANCHMSA-N 1 1 343.858 3.708 40 0 EHABMO Fc1ccc(C[N@@H+]2C[C@H]3Cc4ncc(-c5ccccc5)n4C[C@@H]3C2)cc1 ZINC000306129487 564062166 /nfs/dbraw/zinc/06/21/66/564062166.db2.gz IESPOGISSLPVGL-MOPGFXCFSA-N 1 1 347.437 3.994 40 0 EHABMO COc1ccccc1-c1cnc2n1C[C@]1(CC[N@@H+](Cc3ccoc3)C1)C2 ZINC000306138556 564062335 /nfs/dbraw/zinc/06/23/35/564062335.db2.gz SATQGSIKISDRBF-OAQYLSRUSA-N 1 1 349.434 3.600 40 0 EHABMO CC[C@@H](C)Nc1cc(N2CCc3cc([C@H](C)O)ccc3C2)[nH+]c(C)n1 ZINC000328975449 564071111 /nfs/dbraw/zinc/07/11/11/564071111.db2.gz FKOMKYHTCLJQNL-KGLIPLIRSA-N 1 1 340.471 3.611 40 0 EHABMO Cc1ccc([C@H]([NH3+])c2nnc(-c3ccc(C(F)(F)F)cc3)[nH]2)cc1 ZINC000095534146 564141630 /nfs/dbraw/zinc/14/16/30/564141630.db2.gz JBUBOAKJBNWOGY-AWEZNQCLSA-N 1 1 332.329 3.847 40 0 EHABMO Cc1ccc(CN(C[C@@H]2CCOC2)C2CC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC000019216418 202001636 /nfs/dbraw/zinc/00/16/36/202001636.db2.gz REURJAQMFZDVHW-INIZCTEOSA-N 1 1 334.504 3.736 40 0 EHABMO c1ccc(C[N@@H+]2CCC[C@@]3(C2)NCCc2c4ccccc4[nH]c23)cc1 ZINC000019372017 202005467 /nfs/dbraw/zinc/00/54/67/202005467.db2.gz LUTQFAMQSNTGNR-QFIPXVFZSA-N 1 1 331.463 3.805 40 0 EHABMO c1ccc(C[N@H+]2CCC[C@@]3(C2)NCCc2c4ccccc4[nH]c23)cc1 ZINC000019372017 202005469 /nfs/dbraw/zinc/00/54/69/202005469.db2.gz LUTQFAMQSNTGNR-QFIPXVFZSA-N 1 1 331.463 3.805 40 0 EHABMO Fc1ccc(C[N@H+]2CC[C@@H](c3nc(-c4cccs4)no3)C2)cc1 ZINC000019344682 202005585 /nfs/dbraw/zinc/00/55/85/202005585.db2.gz MRCAFUMHGYKXIU-CYBMUJFWSA-N 1 1 329.400 3.927 40 0 EHABMO COCCOc1ccc(C[N@@H+]2CCc3sccc3[C@H]2C)cc1OC ZINC000019498362 202008673 /nfs/dbraw/zinc/00/86/73/202008673.db2.gz CILVREVYRULDOX-CQSZACIVSA-N 1 1 347.480 3.901 40 0 EHABMO COCCOc1ccc(C[N@H+]2CCc3sccc3[C@H]2C)cc1OC ZINC000019498362 202008675 /nfs/dbraw/zinc/00/86/75/202008675.db2.gz CILVREVYRULDOX-CQSZACIVSA-N 1 1 347.480 3.901 40 0 EHABMO Cc1c2ccccc2oc1CN1CCC([NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000019566362 202011306 /nfs/dbraw/zinc/01/13/06/202011306.db2.gz LNSPZYYYAOQBNM-HOTGVXAUSA-N 1 1 342.483 3.815 40 0 EHABMO CC[N@H+]1CCC[C@H]1CN(Cc1cccnc1)Cc1cccc(OC)c1 ZINC000022931713 212335991 /nfs/dbraw/zinc/33/59/91/212335991.db2.gz WLHMTSYCPYGBGW-FQEVSTJZSA-N 1 1 339.483 3.577 40 0 EHABMO c1csc(C[N@H+]2Cc3cccn3C[C@@H](OCc3ccncc3)C2)c1 ZINC000253588452 244026830 /nfs/dbraw/zinc/02/68/30/244026830.db2.gz DCAFJNAFDGPXDC-SFHVURJKSA-N 1 1 339.464 3.546 40 0 EHABMO c1csc(C[N@@H+]2Cc3cccn3C[C@@H](OCc3ccncc3)C2)c1 ZINC000253588452 244026837 /nfs/dbraw/zinc/02/68/37/244026837.db2.gz DCAFJNAFDGPXDC-SFHVURJKSA-N 1 1 339.464 3.546 40 0 EHABMO Cc1nccn1-c1cncc([C@H]2CCC[N@H+]2CCCc2ccccc2)n1 ZINC000072378677 203210757 /nfs/dbraw/zinc/21/07/57/203210757.db2.gz AAHQNUFKVVZHHW-HXUWFJFHSA-N 1 1 347.466 3.740 40 0 EHABMO Cc1cccc(C[N@H+]2CCC[C@@H](c3nnc(-c4ccncc4)o3)C2)c1 ZINC000072389962 203213610 /nfs/dbraw/zinc/21/36/10/203213610.db2.gz JISVTBYZXOFODH-GOSISDBHSA-N 1 1 334.423 3.820 40 0 EHABMO Cc1nn(C)c(C)c1C[N@H+]1CC[C@@H](Cc2ccnc3ccccc23)C1 ZINC000257259901 244293110 /nfs/dbraw/zinc/29/31/10/244293110.db2.gz LAPHRQSGFRGQMO-KRWDZBQOSA-N 1 1 334.467 3.650 40 0 EHABMO c1cc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCC3CCCC3)C2)co1 ZINC000107752071 204246452 /nfs/dbraw/zinc/24/64/52/204246452.db2.gz ZPCCGJGMBOWHNR-PMACEKPBSA-N 1 1 333.472 3.858 40 0 EHABMO Cc1ccc(CN2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)s1 ZINC000107746895 204246855 /nfs/dbraw/zinc/24/68/55/204246855.db2.gz MYTKXKSDQRWZNI-FUHWJXTLSA-N 1 1 346.471 3.533 40 0 EHABMO Cc1ccc(C[N@@H+]2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)s1 ZINC000107746895 204246861 /nfs/dbraw/zinc/24/68/61/204246861.db2.gz MYTKXKSDQRWZNI-FUHWJXTLSA-N 1 1 346.471 3.533 40 0 EHABMO Cc1ccc(C[N@H+]2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)s1 ZINC000107746895 204246864 /nfs/dbraw/zinc/24/68/64/204246864.db2.gz MYTKXKSDQRWZNI-FUHWJXTLSA-N 1 1 346.471 3.533 40 0 EHABMO Clc1ccc(C[N@H+]2CC[C@H](c3nnc(-c4cccnc4)o3)C2)cc1 ZINC000049169645 204369543 /nfs/dbraw/zinc/36/95/43/204369543.db2.gz FQNGSMOAAVOZSR-HNNXBMFYSA-N 1 1 340.814 3.775 40 0 biogenic,in-vitro EHABMO COc1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4cccs4)C3)o2)cc1 ZINC000049170149 204369841 /nfs/dbraw/zinc/36/98/41/204369841.db2.gz LVZFVVYUJAOAFZ-AWEZNQCLSA-N 1 1 341.436 3.796 40 0 biogenic,in-vitro EHABMO C[N@@H+](CCN)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118918353 221204101 /nfs/dbraw/zinc/20/41/01/221204101.db2.gz NDAWUPLIPPNPGL-TWGZSJHRSA-N 1 1 348.575 3.649 40 0 EHABMO CN(CC[NH3+])[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118918353 221204103 /nfs/dbraw/zinc/20/41/03/221204103.db2.gz NDAWUPLIPPNPGL-TWGZSJHRSA-N 1 1 348.575 3.649 40 0 EHABMO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000038832852 563922169 /nfs/dbraw/zinc/92/21/69/563922169.db2.gz TZJGCXIBJFIDOF-VQIMIIECSA-N 1 1 340.442 3.915 40 0 EHABMO COc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038835080 563922353 /nfs/dbraw/zinc/92/23/53/563922353.db2.gz VIPJPXOKWALQGW-MRXNPFEDSA-N 1 1 342.414 3.685 40 0 EHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000044934283 563928379 /nfs/dbraw/zinc/92/83/79/563928379.db2.gz SRDRQJWDFVWVOO-AWEZNQCLSA-N 1 1 337.398 3.870 40 0 EHABMO c1csc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000092788625 563976276 /nfs/dbraw/zinc/97/62/76/563976276.db2.gz LLXOJUWXRQIGAB-GFCCVEGCSA-N 1 1 330.482 3.974 40 0 EHABMO Cc1noc([C@H]2C[C@H]3OCC[C@H]3[N@@H+](Cc3cccc4ccccc43)C2)n1 ZINC000096041226 563978012 /nfs/dbraw/zinc/97/80/12/563978012.db2.gz FGUIPYADIHVPDK-DFQSSKMNSA-N 1 1 349.434 3.678 40 0 EHABMO Fc1cccc(N2CCC[C@]3(C2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC000096049070 563978456 /nfs/dbraw/zinc/97/84/56/563978456.db2.gz MYXDPHFVOFCWHE-LJQANCHMSA-N 1 1 346.471 3.759 40 0 EHABMO Fc1cccc(N2CCC[C@]3(C2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC000096049070 563978457 /nfs/dbraw/zinc/97/84/57/563978457.db2.gz MYXDPHFVOFCWHE-LJQANCHMSA-N 1 1 346.471 3.759 40 0 EHABMO c1csc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)c1 ZINC000096057061 563978820 /nfs/dbraw/zinc/97/88/20/563978820.db2.gz NAOJBTKWWLSQQV-HKUYNNGSSA-N 1 1 344.480 3.593 40 0 EHABMO CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)c2cccs2)[C@H]1Cc1ccccc1 ZINC000096061676 563978997 /nfs/dbraw/zinc/97/89/97/563978997.db2.gz UJNVLOOZMDZYRW-MSOLQXFVSA-N 1 1 342.508 3.914 40 0 EHABMO Cc1ccc(C[NH+]2CCC3(C[C@H]3C[N@H+](C)Cc3cccnc3)CC2)o1 ZINC000096238321 563980452 /nfs/dbraw/zinc/98/04/52/563980452.db2.gz LRNINHNTINOUMQ-IBGZPJMESA-N 1 1 339.483 3.717 40 0 EHABMO CCOc1ccc2nccc([C@@H](O)[C@H]3C[C@@H]4CC[N@H+]3C[C@@H]4CC)c2c1 ZINC000000491153 563997468 /nfs/dbraw/zinc/99/74/68/563997468.db2.gz SUWZHLCNFQWNPE-VUEDXXQZSA-N 1 1 340.467 3.787 40 0 in-vitro EHABMO OCC[N@H+](Cc1cccnc1)Cc1cccc(OCc2ccccc2)c1 ZINC000013569628 564020161 /nfs/dbraw/zinc/02/01/61/564020161.db2.gz QAUQKCAZCXSYOD-UHFFFAOYSA-N 1 1 348.446 3.655 40 0 EHABMO OCC[N@@H+](Cc1cccnc1)Cc1cccc(OCc2ccccc2)c1 ZINC000013569628 564020162 /nfs/dbraw/zinc/02/01/62/564020162.db2.gz QAUQKCAZCXSYOD-UHFFFAOYSA-N 1 1 348.446 3.655 40 0 EHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc(F)cc1F ZINC000225582100 564048028 /nfs/dbraw/zinc/04/80/28/564048028.db2.gz LFOIEZYDNUAVAQ-AWEZNQCLSA-N 1 1 341.471 3.906 40 0 EHABMO CC[C@@](C)(OC)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260814588 564052640 /nfs/dbraw/zinc/05/26/40/564052640.db2.gz KYFUHTDUENTHJV-OXJNMPFZSA-N 1 1 348.487 3.551 40 0 EHABMO Cc1cc(-c2ccnn2C(C)C)nc([C@@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000257343577 564055816 /nfs/dbraw/zinc/05/58/16/564055816.db2.gz ZTNUYEYHQTUQEB-MRXNPFEDSA-N 1 1 327.476 3.817 40 0 EHABMO Cc1ccc(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000264046893 564124744 /nfs/dbraw/zinc/12/47/44/564124744.db2.gz DICLMIMDGPPTQO-UHFFFAOYSA-N 1 1 334.463 3.658 40 0 EHABMO CC[N@@H+](Cc1ccc(F)cc1)[C@H]1CN(C(C)=O)C2(C1)CCCCC2 ZINC000019695718 564128032 /nfs/dbraw/zinc/12/80/32/564128032.db2.gz ANRUPQADYAPJMT-LJQANCHMSA-N 1 1 332.463 3.971 40 0 EHABMO CC(=O)N1CC[C@H]2[C@H]1CCCCC[N@H+]2Cc1cccc2ncccc12 ZINC000019712323 564128077 /nfs/dbraw/zinc/12/80/77/564128077.db2.gz GASQJQCGQRKOQH-LEWJYISDSA-N 1 1 337.467 3.600 40 0 EHABMO Cc1nnc([C@@H](C)[NH+]2CCC(c3c[nH]c4ccc(F)cc43)CC2)[nH]1 ZINC000572373722 1036089631 /nfs/dbraw/zinc/08/96/31/1036089631.db2.gz PEPQMJOINCUIHL-LLVKDONJSA-N 1 1 327.407 3.674 40 0 EHABMO COc1cccc(OC[C@@H]2[C@H]3CC[C@H](C3)[N@H+]2Cc2ccncc2C)c1 ZINC000019239498 202001358 /nfs/dbraw/zinc/00/13/58/202001358.db2.gz IEMFLXBMDNLARJ-YRISNDGFSA-N 1 1 338.451 3.831 40 0 EHABMO C[C@H]1C[C@H]1C(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)C[N@H+]2C ZINC000019463447 202008750 /nfs/dbraw/zinc/00/87/50/202008750.db2.gz LIADLCRLGJFXFF-AXBXVSCFSA-N 1 1 344.474 3.651 40 0 EHABMO CCn1ncc(CN(Cc2cccs2)C[C@@H]2CCC[N@H+]2CC)c1C ZINC000022915015 202095921 /nfs/dbraw/zinc/09/59/21/202095921.db2.gz ZVWYZEHOUZEFEH-SFHVURJKSA-N 1 1 346.544 3.759 40 0 EHABMO COc1ccc(CN(C)C(=O)c2ccc(Cn3cc[nH+]c3C)cc2)cc1 ZINC000030946192 202202091 /nfs/dbraw/zinc/20/20/91/202202091.db2.gz VSTUIAUWLZQZHV-UHFFFAOYSA-N 1 1 349.434 3.521 40 0 EHABMO C=Cn1cc(CN(Cc2cccs2)C[C@H]2CCC[N@@H+]2CC)c(C)n1 ZINC000036741273 202330514 /nfs/dbraw/zinc/33/05/14/202330514.db2.gz RQXLSBHMVALLJC-GOSISDBHSA-N 1 1 344.528 3.840 40 0 EHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(Cl)cc2)cc1 ZINC000216489918 241198589 /nfs/dbraw/zinc/19/85/89/241198589.db2.gz JWVIIUSWURVJFX-UHFFFAOYSA-N 1 1 325.799 3.764 40 0 EHABMO c1ccc(CC[N@H+]2CCC[C@@H]2c2cncc(Nc3ccccn3)n2)cc1 ZINC000072376233 203208833 /nfs/dbraw/zinc/20/88/33/203208833.db2.gz JHWSFZBWNTYAFM-LJQANCHMSA-N 1 1 345.450 3.995 40 0 EHABMO Fc1ccc(C[N@H+]2CCC[C@@H](c3cccc(-n4ccnc4)n3)C2)cc1 ZINC000072378644 203211138 /nfs/dbraw/zinc/21/11/38/203211138.db2.gz XSMJLORTTPPSQU-QGZVFWFLSA-N 1 1 336.414 3.786 40 0 EHABMO Cc1c[nH]nc1C[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000257244549 244252496 /nfs/dbraw/zinc/25/24/96/244252496.db2.gz ILVUBTFQUBRPOZ-KRWDZBQOSA-N 1 1 347.466 3.630 40 0 EHABMO Cn1cc(C[N@H+]2CCC[C@H]2c2cccc(Cc3ccccc3)n2)cn1 ZINC000072358121 203204214 /nfs/dbraw/zinc/20/42/14/203204214.db2.gz BYKCTVNGZVLHQL-NRFANRHFSA-N 1 1 332.451 3.743 40 0 EHABMO Cc1cccnc1Nc1cccc([C@@H]2CCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000072375397 203208685 /nfs/dbraw/zinc/20/86/85/203208685.db2.gz BDHBOCJSUXRZMC-SFHVURJKSA-N 1 1 348.454 3.599 40 0 EHABMO Cc1cccnc1Nc1cccc([C@@H]2CCC[N@@H+]2Cc2cnn(C)c2)n1 ZINC000072375397 203208688 /nfs/dbraw/zinc/20/86/88/203208688.db2.gz BDHBOCJSUXRZMC-SFHVURJKSA-N 1 1 348.454 3.599 40 0 EHABMO Clc1ccc(C[N@H+]2CC[C@H](c3nc(-c4ccncc4)no3)C2)cc1 ZINC000072389911 203212996 /nfs/dbraw/zinc/21/29/96/203212996.db2.gz NZZZRXSRLRHTTG-HNNXBMFYSA-N 1 1 340.814 3.775 40 0 EHABMO Cc1ccc(C[N@H+]2CCC[C@H](c3nnc(-c4cccnc4)o3)C2)cc1 ZINC000072389977 203213118 /nfs/dbraw/zinc/21/31/18/203213118.db2.gz HXWSYEQPNPMLBC-SFHVURJKSA-N 1 1 334.423 3.820 40 0 EHABMO COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)[C@H]3CCCC[C@H]3[NH2+]2)cc1 ZINC000073632944 203270650 /nfs/dbraw/zinc/27/06/50/203270650.db2.gz ORASFJUSJVJPBV-SQNIBIBYSA-N 1 1 346.471 3.888 40 0 EHABMO COc1ccccc1C[N@H+]1CC[C@H](c2nc3cc(F)ccc3o2)C1 ZINC000049169151 204369187 /nfs/dbraw/zinc/36/91/87/204369187.db2.gz CBEZTKSVGTTYSJ-AWEZNQCLSA-N 1 1 326.371 3.965 40 0 biogenic,in-vitro EHABMO Fc1ccc(-c2noc([C@@H]3CCC[N@H+]3CC3CCCCC3)n2)nc1 ZINC000049155357 204370341 /nfs/dbraw/zinc/37/03/41/204370341.db2.gz HANPPNUUYIDSKT-INIZCTEOSA-N 1 1 330.407 3.988 40 0 biogenic,in-vitro EHABMO CCCC[N@@H+]1CC=C(c2nn3c(nnc3-c3ccccc3)s2)CC1 ZINC000226250746 205120935 /nfs/dbraw/zinc/12/09/35/205120935.db2.gz HBFMKMCFXOLBQA-UHFFFAOYSA-N 1 1 339.468 3.742 40 0 EHABMO CCc1ccc(N2C(=O)[C@H]([NH3+])[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000072228053 262491415 /nfs/dbraw/zinc/49/14/15/262491415.db2.gz JIAPSEXOOIYLGE-CVEARBPZSA-N 1 1 335.234 3.971 40 0 EHABMO Cc1cccc(C(=O)N2CCC[C@@H]([N@H+]3CCc4ccccc4C3)C2)c1 ZINC000408605941 563495650 /nfs/dbraw/zinc/49/56/50/563495650.db2.gz HQLGZNGYPJWHCH-OAQYLSRUSA-N 1 1 334.463 3.658 40 0 EHABMO CCOc1ccc2nc(NC(=O)C[NH+]3CCCCCC3)sc2c1 ZINC000014753846 563764186 /nfs/dbraw/zinc/76/41/86/563764186.db2.gz ZDJNLGHRGZQEDX-UHFFFAOYSA-N 1 1 333.457 3.510 40 0 EHABMO C[C@H]1C[N@@H+](CCCc2ccc(COc3ccccc3)cc2)CCO1 ZINC000038424828 563921723 /nfs/dbraw/zinc/92/17/23/563921723.db2.gz YTWUUTYVTCWBOS-SFHVURJKSA-N 1 1 325.452 3.919 40 0 EHABMO CC(C)NC(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038832193 563922165 /nfs/dbraw/zinc/92/21/65/563922165.db2.gz XBTLISYDHXGXSU-GFCCVEGCSA-N 1 1 329.271 3.730 40 0 EHABMO CC(C)NC(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038832193 563922166 /nfs/dbraw/zinc/92/21/66/563922166.db2.gz XBTLISYDHXGXSU-GFCCVEGCSA-N 1 1 329.271 3.730 40 0 EHABMO CC(C)CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038832392 563922180 /nfs/dbraw/zinc/92/21/80/563922180.db2.gz QNMHFFIZRJGZRO-AWEZNQCLSA-N 1 1 343.298 3.978 40 0 EHABMO CC(C)CNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038832392 563922181 /nfs/dbraw/zinc/92/21/81/563922181.db2.gz QNMHFFIZRJGZRO-AWEZNQCLSA-N 1 1 343.298 3.978 40 0 EHABMO CC(C)C(NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)C(C)C ZINC000038849180 563922301 /nfs/dbraw/zinc/92/23/01/563922301.db2.gz KFRFPBLHPHPYOC-QGZVFWFLSA-N 1 1 334.479 3.835 40 0 EHABMO COc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c1 ZINC000038834188 563922393 /nfs/dbraw/zinc/92/23/93/563922393.db2.gz WBCKPQSDMVWFQH-INIZCTEOSA-N 1 1 342.414 3.685 40 0 EHABMO Fc1ccccc1NC(=S)NCCC[N@H+]1CCc2ccccc2C1 ZINC000046103178 563929436 /nfs/dbraw/zinc/92/94/36/563929436.db2.gz DFVIHHBYFOYSCZ-UHFFFAOYSA-N 1 1 343.471 3.561 40 0 EHABMO Fc1ccc(C[N@H+]2CCC3(C2)CCN(Cc2nccs2)CC3)cc1 ZINC000096046618 563978115 /nfs/dbraw/zinc/97/81/15/563978115.db2.gz YVANOKDUQXRGFA-UHFFFAOYSA-N 1 1 345.487 3.770 40 0 EHABMO COc1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)cc1 ZINC000096057912 563978785 /nfs/dbraw/zinc/97/87/85/563978785.db2.gz FKVFZYBDRGTQMU-PWRODBHTSA-N 1 1 345.483 3.634 40 0 EHABMO COc1ccc(C[N@H+]2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)cc1 ZINC000096057912 563978786 /nfs/dbraw/zinc/97/87/86/563978786.db2.gz FKVFZYBDRGTQMU-PWRODBHTSA-N 1 1 345.483 3.634 40 0 EHABMO CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2CN(C(=O)c3cccs3)C[C@@H]21 ZINC000096058332 563978849 /nfs/dbraw/zinc/97/88/49/563978849.db2.gz RTFAURJEQJKGDO-LNLFQRSKSA-N 1 1 340.492 3.999 40 0 EHABMO Cc1cc(C[N@H+]2C[C@H]3CCC[C@@]3(COCc3csc(C)n3)C2)no1 ZINC000096109282 563979243 /nfs/dbraw/zinc/97/92/43/563979243.db2.gz IPNRFPBGHCCKRF-QAPCUYQASA-N 1 1 347.484 3.567 40 0 EHABMO Clc1ccc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000096245637 563980597 /nfs/dbraw/zinc/98/05/97/563980597.db2.gz ILRZCRYIGAUDLG-KDURUIRLSA-N 1 1 326.871 3.904 40 0 EHABMO Cc1cc(N)[nH+]cc1[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072218531 563985678 /nfs/dbraw/zinc/98/56/78/563985678.db2.gz KMWIUIGCASGWRA-QGZVFWFLSA-N 1 1 325.412 3.836 40 0 EHABMO CNc1ccc([C@H]2CCCN2C(=O)OCc2ccccc2)c(C)[nH+]1 ZINC000072219096 563985741 /nfs/dbraw/zinc/98/57/41/563985741.db2.gz GOYAUWVDXUQVNL-QGZVFWFLSA-N 1 1 325.412 3.905 40 0 EHABMO [NH3+][C@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1cccc(Cl)c1 ZINC000072227528 563985940 /nfs/dbraw/zinc/98/59/40/563985940.db2.gz XXNQIEPXRHEHMZ-ZIAGYGMSSA-N 1 1 340.732 3.774 40 0 EHABMO CCSc1nnc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)n1C(C)C ZINC000004932404 564005618 /nfs/dbraw/zinc/00/56/18/564005618.db2.gz ARYYLAWPHJAILY-INIZCTEOSA-N 1 1 345.516 3.746 40 0 EHABMO Cc1ncc(-c2cc([C@@H]3CCC[N@H+]3Cc3cncs3)ccn2)n1C ZINC000257293204 564054943 /nfs/dbraw/zinc/05/49/43/564054943.db2.gz QONXJDGIZNLQNT-KRWDZBQOSA-N 1 1 339.468 3.584 40 0 EHABMO Cc1c[nH]c(-c2cc(C)nc([C@H]3CCC[N@@H+](Cc4ccccc4)C3)n2)n1 ZINC000257339414 564055743 /nfs/dbraw/zinc/05/57/43/564055743.db2.gz ZBPHHHOOCXCFGA-SFHVURJKSA-N 1 1 347.466 3.863 40 0 EHABMO CCNc1cc(N2CCc3cc(OC)ccc3C2)[nH+]c(C(C)C)n1 ZINC000329051467 564071922 /nfs/dbraw/zinc/07/19/22/564071922.db2.gz UXUSBHIWCUHJQD-UHFFFAOYSA-N 1 1 326.444 3.603 40 0 EHABMO O=C(OCc1ccccc1)N1C[C@H]2[C@@H](CC[N@H+]2Cc2ccccc2)C1 ZINC000575447507 564079824 /nfs/dbraw/zinc/07/98/24/564079824.db2.gz AUGRQMMVNGVQLT-PMACEKPBSA-N 1 1 336.435 3.530 40 0 EHABMO C[N@@H+]1CCC[C@H]1c1nc(-c2ccc(OC3CCCCC3)nc2)no1 ZINC000035425505 564083455 /nfs/dbraw/zinc/08/34/55/564083455.db2.gz XRCMDIDEALUVTA-HNNXBMFYSA-N 1 1 328.416 3.610 40 0 biogenic,in-vitro EHABMO C[N@H+]1CCC[C@H]1c1nc(-c2ccc(OC3CCCCC3)nc2)no1 ZINC000035425505 564083456 /nfs/dbraw/zinc/08/34/56/564083456.db2.gz XRCMDIDEALUVTA-HNNXBMFYSA-N 1 1 328.416 3.610 40 0 biogenic,in-vitro EHABMO O=c1cc(-c2ccccn2)nc([C@@H]2CCC[N@H+]2C[C@@H]2CC=CCC2)[nH]1 ZINC000247955867 564124517 /nfs/dbraw/zinc/12/45/17/564124517.db2.gz NIUJZZGJGGKOQR-QAPCUYQASA-N 1 1 336.439 3.737 40 0 EHABMO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[N@H+]1CCN[C@H]2CCCC[C@@H]21 ZINC000252514045 564133809 /nfs/dbraw/zinc/13/38/09/564133809.db2.gz AYRHIEIVWIXGOF-VNYTWHDVSA-N 1 1 328.500 3.901 40 0 EHABMO Cc1ccccc1O[C@@H]1CCCC[C@@H]1N1CC[NH2+][C@H]2CCCC[C@@H]21 ZINC000252514045 564133810 /nfs/dbraw/zinc/13/38/10/564133810.db2.gz AYRHIEIVWIXGOF-VNYTWHDVSA-N 1 1 328.500 3.901 40 0 EHABMO FC(F)(F)c1ccc(O[C@H]2COCC[N@@H+](CC3CCCC3)C2)cc1 ZINC000096113170 564145426 /nfs/dbraw/zinc/14/54/26/564145426.db2.gz NFZTZLKPGGZGQJ-QGZVFWFLSA-N 1 1 343.389 3.975 40 0 biogenic,in-vitro EHABMO C[C@H]1c2ccsc2CC[N@@H+]1Cc1ccc(N2CCCC2=O)cc1 ZINC000019498363 202008932 /nfs/dbraw/zinc/00/89/32/202008932.db2.gz FHROJIRPLUFWBP-AWEZNQCLSA-N 1 1 326.465 3.994 40 0 EHABMO Cc1nc([C@@H](Cc2ccsc2)[NH2+]Cc2cnc(C)nc2)sc1C ZINC000019559945 202011931 /nfs/dbraw/zinc/01/19/31/202011931.db2.gz GDCXTXMLCVJTHR-MRXNPFEDSA-N 1 1 344.509 3.993 40 0 EHABMO C[N@H+]1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)c1cccnc1 ZINC000019589174 202012701 /nfs/dbraw/zinc/01/27/01/202012701.db2.gz SSGNVHHFXMFHDV-NJDAHSKKSA-N 1 1 349.478 3.564 40 0 EHABMO C[N@H+]1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)c1ccccn1 ZINC000019589172 202012798 /nfs/dbraw/zinc/01/27/98/202012798.db2.gz LIFAEPUAYBZVHP-HMXCVIKNSA-N 1 1 349.478 3.564 40 0 EHABMO CC[C@@H](Oc1ccccc1C)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020456722 202042878 /nfs/dbraw/zinc/04/28/78/202042878.db2.gz OUZKVEKIGLMALI-ZIFCJYIRSA-N 1 1 346.515 3.637 40 0 EHABMO CC[C@@H](Oc1ccccc1C)C(=O)NCCC[N@H+]1CCCC[C@@H]1CC ZINC000216242428 241177141 /nfs/dbraw/zinc/17/71/41/241177141.db2.gz BZOPGCRCZISMFU-RBUKOAKNSA-N 1 1 346.515 3.923 40 0 EHABMO Cc1cc(C)nc([C@H]2CC[N@@H+](Cc3ccccc3N3CCCC3)C2)n1 ZINC000072369808 203208908 /nfs/dbraw/zinc/20/89/08/203208908.db2.gz GSCWYGIMEOJJDD-IBGZPJMESA-N 1 1 336.483 3.683 40 0 EHABMO Cc1nccn1-c1cncc([C@H]2CCC[N@@H+](Cc3cccc(C)c3)C2)n1 ZINC000072355459 203204734 /nfs/dbraw/zinc/20/47/34/203204734.db2.gz RNKSFARSRULMSJ-IBGZPJMESA-N 1 1 347.466 3.659 40 0 EHABMO Cc1cc(-c2snnc2[C@H]2CCC[N@@H+](Cc3cccs3)C2)on1 ZINC000072396691 203213184 /nfs/dbraw/zinc/21/31/84/203213184.db2.gz ZMXARGNXLWMILA-LBPRGKRZSA-N 1 1 346.481 3.943 40 0 EHABMO Cc1cccc(Nc2cc([C@@H]3CCC[N@H+]3Cc3cncn3C)ccn2)n1 ZINC000257252986 244272937 /nfs/dbraw/zinc/27/29/37/244272937.db2.gz JXCACWZJWGRQQF-SFHVURJKSA-N 1 1 348.454 3.599 40 0 EHABMO Cc1cccc(Nc2cc([C@@H]3CCC[N@@H+]3Cc3cncn3C)ccn2)n1 ZINC000257252986 244272941 /nfs/dbraw/zinc/27/29/41/244272941.db2.gz JXCACWZJWGRQQF-SFHVURJKSA-N 1 1 348.454 3.599 40 0 EHABMO Cc1ncc(-c2cc([C@@H]3CCC[N@H+]3Cc3cccnc3)ccn2)n1C ZINC000257273113 244383349 /nfs/dbraw/zinc/38/33/49/244383349.db2.gz NFIBEFOZYVFHFW-IBGZPJMESA-N 1 1 333.439 3.523 40 0 EHABMO COc1ccccc1C[N@H+]1CC[C@H](c2nnc(Cc3ccccc3)o2)C1 ZINC000049169840 204370014 /nfs/dbraw/zinc/37/00/14/204370014.db2.gz GUWFINXBUWWQLW-SFHVURJKSA-N 1 1 349.434 3.659 40 0 biogenic,in-vitro EHABMO CC(=O)N1CC[N@@H+](Cc2cccc3cccnc32)C[C@H]1c1ccccc1 ZINC000257246524 534794337 /nfs/dbraw/zinc/79/43/37/534794337.db2.gz IUMJHEDISPYAIW-NRFANRHFSA-N 1 1 345.446 3.640 40 0 EHABMO O=C([C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)N1CCCCCC1 ZINC000000212245 563261125 /nfs/dbraw/zinc/26/11/25/563261125.db2.gz AMOVUYFZCHTGNU-QGZVFWFLSA-N 1 1 334.891 3.955 40 0 EHABMO COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)[C@@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC000012356985 563658560 /nfs/dbraw/zinc/65/85/60/563658560.db2.gz ORASFJUSJVJPBV-OKZBNKHCSA-N 1 1 346.471 3.888 40 0 EHABMO CCOc1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3C)cc2)cc1 ZINC000038834374 563922349 /nfs/dbraw/zinc/92/23/49/563922349.db2.gz LMSFLBUXOCYNTK-UHFFFAOYSA-N 1 1 335.407 3.891 40 0 EHABMO C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000044912757 563928279 /nfs/dbraw/zinc/92/82/79/563928279.db2.gz BAKGSSKRDQSLGS-FXAWDEMLSA-N 1 1 334.463 3.876 40 0 EHABMO CSc1ncc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H]2CCCO2)cn1 ZINC000057811132 563935898 /nfs/dbraw/zinc/93/58/98/563935898.db2.gz XYDQLIJPOUXQBO-KRWDZBQOSA-N 1 1 347.459 3.519 40 0 EHABMO CSc1ncc(C[N@H+](Cc2ccc(F)cc2)C[C@@H]2CCCO2)cn1 ZINC000057811132 563935899 /nfs/dbraw/zinc/93/58/99/563935899.db2.gz XYDQLIJPOUXQBO-KRWDZBQOSA-N 1 1 347.459 3.519 40 0 EHABMO O=C1CCC[C@@H]2[C@H](C[C@H](Cc3ccccc3)[N@H+]2Cc2ccccc2)N1 ZINC000095951730 563977820 /nfs/dbraw/zinc/97/78/20/563977820.db2.gz SKACCVNMLKOCDM-PCCBWWKXSA-N 1 1 334.463 3.541 40 0 EHABMO O=C(c1cccs1)N1CCC[C@]2(CC[N@@H+](Cc3cccs3)C2)C1 ZINC000096047007 563978219 /nfs/dbraw/zinc/97/82/19/563978219.db2.gz FWPXDBYSDBQHQI-GOSISDBHSA-N 1 1 346.521 3.938 40 0 EHABMO C[N@@H+](Cc1ccco1)[C@@H]1CCC12CCN(Cc1nccs1)CC2 ZINC000096051554 563978569 /nfs/dbraw/zinc/97/85/69/563978569.db2.gz CMMQWHXQIXEKDC-MRXNPFEDSA-N 1 1 331.485 3.613 40 0 EHABMO Cc1ccc(C[N@H+]2CCC(F)(F)[C@@]3(CCN(c4ccccn4)C3)C2)o1 ZINC000096051150 563978590 /nfs/dbraw/zinc/97/85/90/563978590.db2.gz GJPYKGKKZHMWLY-SFHVURJKSA-N 1 1 347.409 3.721 40 0 EHABMO Cc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)s1 ZINC000096056617 563978708 /nfs/dbraw/zinc/97/87/08/563978708.db2.gz CFFZFVBUMMZHQZ-QZTJIDSGSA-N 1 1 326.465 3.826 40 0 EHABMO CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2CN(Cc3nccs3)C[C@@H]21 ZINC000096058319 563978758 /nfs/dbraw/zinc/97/87/58/563978758.db2.gz UDPIPYJJZFPSDE-LNLFQRSKSA-N 1 1 327.497 3.754 40 0 EHABMO Cc1nc(COC[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccn2)C3)cs1 ZINC000096109270 563979266 /nfs/dbraw/zinc/97/92/66/563979266.db2.gz MEBJKDWXDGFROY-APWZRJJASA-N 1 1 343.496 3.665 40 0 EHABMO C[N@H+]1CCC[C@@H](c2cccc(-c3cnc4ccc(Cl)cn43)n2)C1 ZINC000585263362 563981017 /nfs/dbraw/zinc/98/10/17/563981017.db2.gz WZKJNWKTPWFEOT-CYBMUJFWSA-N 1 1 326.831 3.859 40 0 EHABMO Cc1ccccc1C[N@H+](C)[C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000585289322 563982018 /nfs/dbraw/zinc/98/20/18/563982018.db2.gz PQBAQBPLBFRPRZ-PWRODBHTSA-N 1 1 343.442 3.927 40 0 EHABMO COc1cc(CNc2cc(C)cc[nH+]2)cc(Br)c1OC ZINC000072228424 563986093 /nfs/dbraw/zinc/98/60/93/563986093.db2.gz FOITWSCBQKPPPO-UHFFFAOYSA-N 1 1 337.217 3.782 40 0 EHABMO C[C@@H]1[C@H](C[NH2+]CCCN(C)C)[C@@H](C)C[C@@]2(C)Oc3ccccc3C[C@@H]12 ZINC000005028772 564005782 /nfs/dbraw/zinc/00/57/82/564005782.db2.gz LNUAAHAFERZTED-AKWHDMJJSA-N 1 1 344.543 3.830 40 0 EHABMO CCOc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CC[N@H+]3C[C@@H]4CC)c2c1 ZINC000011616787 564017743 /nfs/dbraw/zinc/01/77/43/564017743.db2.gz SUWZHLCNFQWNPE-YJPXFSGGSA-N 1 1 340.467 3.787 40 0 in-vitro EHABMO CSCC[C@@H]([NH3+])c1nnc(SCc2ccc(Cl)cc2)o1 ZINC000223811242 564040917 /nfs/dbraw/zinc/04/09/17/564040917.db2.gz BUBHFJWKDCAHTA-LLVKDONJSA-N 1 1 329.878 3.768 40 0 EHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)Cc1ccc(Cl)cc1F ZINC000224663914 564043415 /nfs/dbraw/zinc/04/34/15/564043415.db2.gz QTFNLHQBHHVDKL-INIZCTEOSA-N 1 1 340.870 3.792 40 0 EHABMO CCOC(C)(C)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225647411 564048945 /nfs/dbraw/zinc/04/89/45/564048945.db2.gz CMVYJQCFMPTZNL-INIZCTEOSA-N 1 1 348.487 3.693 40 0 EHABMO CNc1cccc(CC[C@@H]2CCCC[N@H+]2Cc2scnc2C)n1 ZINC000257302106 564055073 /nfs/dbraw/zinc/05/50/73/564055073.db2.gz SBOMVIBNZZAMGX-INIZCTEOSA-N 1 1 330.501 3.876 40 0 EHABMO CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CC[N@H+](C4CCOCC4)[C@@H]3C[C@H]21 ZINC000257312757 564055322 /nfs/dbraw/zinc/05/53/22/564055322.db2.gz UPJSQRGZDVFYOC-LFGUQSLTSA-N 1 1 343.467 3.557 40 0 EHABMO c1ccc(C[N@H+]2CC[C@@H](c3ccnc(Nc4ccccn4)n3)C2)cc1 ZINC000257344972 564055798 /nfs/dbraw/zinc/05/57/98/564055798.db2.gz ZZKUKARTKAWLBB-QGZVFWFLSA-N 1 1 331.423 3.605 40 0 EHABMO Fc1ccc(-c2cnc3n2C[C@@]2(CC[N@@H+](Cc4ccoc4)C2)C3)cc1 ZINC000306131211 564062144 /nfs/dbraw/zinc/06/21/44/564062144.db2.gz JYRBGMJZPPQNRI-FQEVSTJZSA-N 1 1 337.398 3.731 40 0 EHABMO Fc1ccc(C[N@@H+]2C[C@@H]3Cc4ncc(-c5ccccc5)n4C[C@H]3C2)cc1 ZINC000306129489 564062209 /nfs/dbraw/zinc/06/22/09/564062209.db2.gz IESPOGISSLPVGL-RBUKOAKNSA-N 1 1 347.437 3.994 40 0 EHABMO CC[C@@H](C)Nc1nc(N2Cc3ccccc3C[C@@H]2C)cc(C2CC2)[nH+]1 ZINC000328982151 564071230 /nfs/dbraw/zinc/07/12/30/564071230.db2.gz GYESPJGCSYDXLA-CABCVRRESA-N 1 1 336.483 3.938 40 0 EHABMO CC(C)(C)OC(=O)NC1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000047539994 564084071 /nfs/dbraw/zinc/08/40/71/564084071.db2.gz WZWLJRWWHKZBSG-UHFFFAOYSA-N 1 1 342.842 3.968 40 0 EHABMO O[C@H](C[N@H+]1CCC[C@H](COc2ccccc2F)C1)c1cccs1 ZINC000247793939 564124499 /nfs/dbraw/zinc/12/44/99/564124499.db2.gz QCNGGSIXHAHXHM-GOEBONIOSA-N 1 1 335.444 3.712 40 0 EHABMO C[C@@H]1C[N@@H+](C)CC[C@H]1CCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000253602795 564124701 /nfs/dbraw/zinc/12/47/01/564124701.db2.gz RVWHIDJMYMUWOP-SJLPKXTDSA-N 1 1 337.467 3.854 40 0 EHABMO CC[N@@H+](Cc1ccc(F)cc1)[C@@H]1CN(C(C)=O)C2(C1)CCCCC2 ZINC000019695717 564128052 /nfs/dbraw/zinc/12/80/52/564128052.db2.gz ANRUPQADYAPJMT-IBGZPJMESA-N 1 1 332.463 3.971 40 0 EHABMO COc1ccc([C@H]([NH3+])c2nnc(-c3cccc(C(F)(F)F)c3)[nH]2)cc1 ZINC000095533718 564141671 /nfs/dbraw/zinc/14/16/71/564141671.db2.gz GYYKAQXIVABAMN-AWEZNQCLSA-N 1 1 348.328 3.547 40 0 EHABMO Cc1cccc(C[N@@H+]2C[C@@H]3Cc4ncc(-c5ccccc5)n4C[C@@H]3C2)n1 ZINC000306128667 1137871340 /nfs/dbraw/zinc/87/13/40/1137871340.db2.gz HHUPPPUIGJYJJO-OALUTQOASA-N 1 1 344.462 3.558 40 0 EHABMO C[N@H+]1CCc2cc(Cl)c(O)cc2[C@@H](c2cccc3c2OCC3)C1 ZINC000003781602 210074501 /nfs/dbraw/zinc/07/45/01/210074501.db2.gz SKMVRXPBCSTNKE-MRXNPFEDSA-N 1 1 329.827 3.600 40 0 in-man EHABMO Cc1ncsc1-c1nnc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000019562832 202011102 /nfs/dbraw/zinc/01/11/02/202011102.db2.gz KSGZSCNVSIMTSZ-OAHLLOKOSA-N 1 1 340.452 3.881 40 0 EHABMO COc1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2CCSC)c(C)c1C ZINC000019577398 202014167 /nfs/dbraw/zinc/01/41/67/202014167.db2.gz MUJHPKUNCORXJF-OALUTQOASA-N 1 1 348.556 3.714 40 0 EHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000030938444 202201846 /nfs/dbraw/zinc/20/18/46/202201846.db2.gz JFTLEIRERTZUGJ-UHFFFAOYSA-N 1 1 327.334 3.770 40 0 EHABMO O=C(Nc1ccc(F)c(F)c1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000030938384 202202008 /nfs/dbraw/zinc/20/20/08/202202008.db2.gz KXNMCLNAZOUVHG-CQSZACIVSA-N 1 1 348.368 3.955 40 0 EHABMO O=C(OCc1ccccc1F)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000072202909 216069394 /nfs/dbraw/zinc/06/93/94/216069394.db2.gz RDJSCQRMOKEUJV-INIZCTEOSA-N 1 1 345.389 3.920 40 0 EHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000216341844 241184369 /nfs/dbraw/zinc/18/43/69/241184369.db2.gz QVQOCCBKPNLFDE-UHFFFAOYSA-N 1 1 339.826 3.693 40 0 EHABMO C[C@H]1CCC[N@@H+](CCCNC(=S)Nc2ccc(F)c(Cl)c2)C1 ZINC000225736559 242013224 /nfs/dbraw/zinc/01/32/24/242013224.db2.gz JGIIHXXFSVPOGC-LBPRGKRZSA-N 1 1 343.899 3.888 40 0 EHABMO COc1ccc(C[N@H+]2CCC[C@H]2c2cccc(-n3ccnc3C)n2)cc1 ZINC000072378695 203210603 /nfs/dbraw/zinc/21/06/03/203210603.db2.gz DRNOBJIIXCCZKN-FQEVSTJZSA-N 1 1 348.450 3.921 40 0 EHABMO Fc1cccc(Cc2cnc([C@H]3CC[N@@H+](Cc4cncs4)C3)o2)c1 ZINC000257236794 244232808 /nfs/dbraw/zinc/23/28/08/244232808.db2.gz HDVBVXGQQCYLIV-AWEZNQCLSA-N 1 1 343.427 3.851 40 0 EHABMO CC(C)c1nccn1-c1cncc([C@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC000072355515 203204711 /nfs/dbraw/zinc/20/47/11/203204711.db2.gz VFQCJRQDTKIZSR-INIZCTEOSA-N 1 1 339.487 3.908 40 0 EHABMO CCc1nccn1-c1cncc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000072355452 203205018 /nfs/dbraw/zinc/20/50/18/203205018.db2.gz QUZOKZKHEACNDN-GOSISDBHSA-N 1 1 347.466 3.604 40 0 EHABMO C[N@@H+](Cc1ccccc1)Cc1cc(-c2ccc(F)cc2)cn2nnnc12 ZINC000072392336 203213031 /nfs/dbraw/zinc/21/30/31/203213031.db2.gz AQJBOJMTOUSUKQ-UHFFFAOYSA-N 1 1 347.397 3.562 40 0 EHABMO c1cc(-c2nnc([C@H]3CCC[N@H+](CC4CCCCC4)C3)o2)ccn1 ZINC000072389958 203213942 /nfs/dbraw/zinc/21/39/42/203213942.db2.gz BOOMWOMJLBSSAA-KRWDZBQOSA-N 1 1 326.444 3.891 40 0 EHABMO Fc1cccc(C[N@H+]2CCC[C@@H](c3nnc(-c4ccncc4)o3)C2)c1 ZINC000072389964 203213967 /nfs/dbraw/zinc/21/39/67/203213967.db2.gz MAYKABIKCWYXKU-MRXNPFEDSA-N 1 1 338.386 3.650 40 0 EHABMO CC(C)n1nccc1-c1cnc(C[C@H]2CCC[N@H+](C(C)C)C2)cn1 ZINC000257280026 244403788 /nfs/dbraw/zinc/40/37/88/244403788.db2.gz OJDVPEOPCJZNKI-MRXNPFEDSA-N 1 1 327.476 3.584 40 0 EHABMO Cc1cc(-c2nccn2C)nc([C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000257338485 244567472 /nfs/dbraw/zinc/56/74/72/244567472.db2.gz YXQAUFNVIJQGNA-SFHVURJKSA-N 1 1 347.466 3.565 40 0 EHABMO CN(Cc1ccccc1F)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000225900861 536482460 /nfs/dbraw/zinc/48/24/60/536482460.db2.gz UYUQARMWOOHKCZ-LJQANCHMSA-N 1 1 340.442 3.696 40 0 EHABMO Cc1cccc(C(=O)N2CCC[C@H]([N@H+]3CCc4ccccc4C3)C2)c1 ZINC000408605938 563495784 /nfs/dbraw/zinc/49/57/84/563495784.db2.gz HQLGZNGYPJWHCH-NRFANRHFSA-N 1 1 334.463 3.658 40 0 EHABMO CCc1ccccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C1CC1 ZINC000035289755 563549143 /nfs/dbraw/zinc/54/91/43/563549143.db2.gz VRHZFNLPCYSORB-ZNXRZULTSA-N 1 1 327.472 3.918 40 0 EHABMO C[N@H+]1CCC[C@H](CNC(=S)Nc2ccc(Cl)cc2Cl)C1 ZINC000009876188 563645143 /nfs/dbraw/zinc/64/51/43/563645143.db2.gz GDDCPOIVCGVKDB-SNVBAGLBSA-N 1 1 332.300 3.622 40 0 EHABMO COc1cccc(OC[C@@H]2[C@H]3CC[C@H](C3)[N@H+]2Cc2cccc(C)n2)c1 ZINC000012085266 563653140 /nfs/dbraw/zinc/65/31/40/563653140.db2.gz PJFBBRGAHXJKKO-YRISNDGFSA-N 1 1 338.451 3.831 40 0 EHABMO Cc1ccsc1C[N@H+]1CCC[C@@H](n2c(=O)oc3ccccc32)C1 ZINC000012119175 563654004 /nfs/dbraw/zinc/65/40/04/563654004.db2.gz DJFIOMPWARTBOP-CQSZACIVSA-N 1 1 328.437 3.802 40 0 EHABMO CCn1c(C[N@H+](C)Cc2cc(=O)[nH]c3ccccc23)cnc1SC ZINC000012147129 563655197 /nfs/dbraw/zinc/65/51/97/563655197.db2.gz FHKCOCZJEJDNEJ-UHFFFAOYSA-N 1 1 342.468 3.511 40 0 EHABMO CCn1c(C[N@@H+](C)Cc2cc(=O)[nH]c3ccccc23)cnc1SC ZINC000012147129 563655199 /nfs/dbraw/zinc/65/51/99/563655199.db2.gz FHKCOCZJEJDNEJ-UHFFFAOYSA-N 1 1 342.468 3.511 40 0 EHABMO Cc1nn(C(C)C)c(C)c1C[N@@H+](C)Cc1cc(=O)[nH]c2ccccc12 ZINC000012188474 563655911 /nfs/dbraw/zinc/65/59/11/563655911.db2.gz WNPNJMDXKRLCGE-UHFFFAOYSA-N 1 1 338.455 3.967 40 0 EHABMO c1ccc(C[N@@H+](Cc2ccnc(-c3cccnc3)n2)C2CCCC2)nc1 ZINC000019401409 563855832 /nfs/dbraw/zinc/85/58/32/563855832.db2.gz MVRPGGWVASXGQU-UHFFFAOYSA-N 1 1 345.450 3.878 40 0 EHABMO C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000044912754 563928260 /nfs/dbraw/zinc/92/82/60/563928260.db2.gz BAKGSSKRDQSLGS-YLJYHZDGSA-N 1 1 334.463 3.876 40 0 EHABMO CC(C)CC[N@H+]1CCC[C@]2(CCCN2C(=O)c2ccn(C)c2)CC1 ZINC000585100501 563971355 /nfs/dbraw/zinc/97/13/55/563971355.db2.gz LMBQXCRITYDECI-FQEVSTJZSA-N 1 1 331.504 3.532 40 0 EHABMO CC[C@H](C)[N@@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)c3ccc(C)o3)[C@H]2C1 ZINC000585109716 563971636 /nfs/dbraw/zinc/97/16/36/563971636.db2.gz LHQCMVDYADQNEO-HKVPTBLXSA-N 1 1 338.451 3.887 40 0 EHABMO CCn1cc2c(n1)C[N@@H+](Cc1sccc1C)C[C@H]2COCC1CC1 ZINC000096045249 563977986 /nfs/dbraw/zinc/97/79/86/563977986.db2.gz SBYDCKLUCGUBCA-INIZCTEOSA-N 1 1 345.512 3.799 40 0 EHABMO CCn1cc2c(n1)C[N@H+](Cc1sccc1C)C[C@H]2COCC1CC1 ZINC000096045249 563977987 /nfs/dbraw/zinc/97/79/87/563977987.db2.gz SBYDCKLUCGUBCA-INIZCTEOSA-N 1 1 345.512 3.799 40 0 EHABMO Cc1ccc(C[N@H+]2CCC(F)(F)[C@]3(CCN(c4cccnc4)C3)C2)o1 ZINC000096051129 563978609 /nfs/dbraw/zinc/97/86/09/563978609.db2.gz NHGCNILBAFZGAW-GOSISDBHSA-N 1 1 347.409 3.721 40 0 EHABMO COc1ccc2c(c1)C1(CCN(Cc3ccc(C)o3)CC1)[N@H+](C)CC2 ZINC000096100213 563979152 /nfs/dbraw/zinc/97/91/52/563979152.db2.gz QFHMWGYEPQCIOU-UHFFFAOYSA-N 1 1 340.467 3.576 40 0 EHABMO COc1ccc2c(c1)C1(CC[NH+](Cc3ccc(C)o3)CC1)N(C)CC2 ZINC000096100213 563979153 /nfs/dbraw/zinc/97/91/53/563979153.db2.gz QFHMWGYEPQCIOU-UHFFFAOYSA-N 1 1 340.467 3.576 40 0 EHABMO Cc1ccc(C[N@@H+]2CC[C@]3(C2)c2ccccc2N(CC(C)C)C3=O)o1 ZINC000096100305 563979201 /nfs/dbraw/zinc/97/92/01/563979201.db2.gz KHIMWCSBWKUTGE-NRFANRHFSA-N 1 1 338.451 3.734 40 0 EHABMO Cc1cccc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC000096159274 563979797 /nfs/dbraw/zinc/97/97/97/563979797.db2.gz DNVSGWDSNPFBOO-UHFFFAOYSA-N 1 1 336.483 3.666 40 0 EHABMO [NH3+][C@@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1Cl ZINC000072227523 563985923 /nfs/dbraw/zinc/98/59/23/563985923.db2.gz QQMVFDJSMQPLSV-KBPBESRZSA-N 1 1 340.732 3.774 40 0 EHABMO [NH3+][C@@H]1C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1Cl ZINC000072227255 563985972 /nfs/dbraw/zinc/98/59/72/563985972.db2.gz YETXTGKMLZTTCQ-KBPBESRZSA-N 1 1 325.170 3.548 40 0 EHABMO CCC[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=S)Nc1ccc(F)cc1)C2 ZINC000004886888 564005486 /nfs/dbraw/zinc/00/54/86/564005486.db2.gz KBHFRRYUNKYKLW-ALOPSCKCSA-N 1 1 335.492 3.908 40 0 EHABMO COc1cc(C)c2nc3c(cc2c1)C[N@@H+](CCc1ccccc1)CCO3 ZINC000013563834 564020258 /nfs/dbraw/zinc/02/02/58/564020258.db2.gz PJQFOKBMZIXSFH-UHFFFAOYSA-N 1 1 348.446 3.989 40 0 EHABMO COc1cc(C)c2nc3c(cc2c1)C[N@H+](CCc1ccccc1)CCO3 ZINC000013563834 564020259 /nfs/dbraw/zinc/02/02/59/564020259.db2.gz PJQFOKBMZIXSFH-UHFFFAOYSA-N 1 1 348.446 3.989 40 0 EHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=S)Nc1ccc(C)cc1 ZINC000225448529 564046841 /nfs/dbraw/zinc/04/68/41/564046841.db2.gz KWSSEMCMSUTCBG-UHFFFAOYSA-N 1 1 336.464 3.976 40 0 EHABMO Cc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000257316489 564055325 /nfs/dbraw/zinc/05/53/25/564055325.db2.gz VFVOXXXNWQSWQP-SFHVURJKSA-N 1 1 333.439 3.555 40 0 EHABMO CC(C)(C)c1[nH]c2ncccc2c1C[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000248197130 564124545 /nfs/dbraw/zinc/12/45/45/564124545.db2.gz QVXKEBHZHCZKIR-NJAFHUGGSA-N 1 1 341.499 3.986 40 0 EHABMO CC(=O)N1CCCCC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccc2ncccc12 ZINC000019712490 564128063 /nfs/dbraw/zinc/12/80/63/564128063.db2.gz RGXGNRBVHBQZHR-RTWAWAEBSA-N 1 1 337.467 3.600 40 0 EHABMO F[C@@H]1C[N@@H+](CC2CCCCC2)C[C@@H]1OCc1nc2ccccc2o1 ZINC000096112089 564145397 /nfs/dbraw/zinc/14/53/97/564145397.db2.gz RJBMRRLNAIAWGT-QAPCUYQASA-N 1 1 332.419 3.947 40 0 biogenic,in-vitro EHABMO O=C1CCCN1C[C@H]1CCC[N@H+](CC2(c3ccc(Cl)cc3)CC2)C1 ZINC000012241535 201833719 /nfs/dbraw/zinc/83/37/19/201833719.db2.gz YQCHPNQKFOWKEX-INIZCTEOSA-N 1 1 346.902 3.706 40 0 EHABMO CCC(CC)C(=O)N1C[C@H](c2ccc(F)cc2)[C@@H]2[C@H]1CCC[N@H+]2C ZINC000019500229 202008656 /nfs/dbraw/zinc/00/86/56/202008656.db2.gz SJBRTAGQSRPBBE-GUDVDZBRSA-N 1 1 332.463 3.651 40 0 EHABMO CCCNC(=O)c1cc([C@@H]2CCC[N@@H+](CC3CCCCC3)C2)no1 ZINC000019503658 202010406 /nfs/dbraw/zinc/01/04/06/202010406.db2.gz QXJJQDGTYMUGDP-MRXNPFEDSA-N 1 1 333.476 3.574 40 0 EHABMO Cc1[nH+]ccn1CCCn1cncc1-c1ccc2c(c1)CC(C)(C)O2 ZINC000019719717 202016690 /nfs/dbraw/zinc/01/66/90/202016690.db2.gz HBRWSXTYUHPJSA-UHFFFAOYSA-N 1 1 336.439 3.859 40 0 EHABMO CCc1ccccc1O[C@H](C)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000030755380 202198669 /nfs/dbraw/zinc/19/86/69/202198669.db2.gz YRJJWKDSGMBZPK-FGTMMUONSA-N 1 1 346.515 3.501 40 0 EHABMO Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000038848776 202408078 /nfs/dbraw/zinc/40/80/78/202408078.db2.gz IJUYIHBUOMJUHO-IBGZPJMESA-N 1 1 340.442 3.663 40 0 EHABMO c1csc(C[N@@H+]2Cc3cccn3[C@@H](COCc3ccncc3)C2)c1 ZINC000253588943 244029798 /nfs/dbraw/zinc/02/97/98/244029798.db2.gz ZYLANXBROMGOCG-GOSISDBHSA-N 1 1 339.464 3.718 40 0 EHABMO c1csc(C[N@H+]2Cc3cccn3[C@@H](COCc3ccncc3)C2)c1 ZINC000253588943 244029807 /nfs/dbraw/zinc/02/98/07/244029807.db2.gz ZYLANXBROMGOCG-GOSISDBHSA-N 1 1 339.464 3.718 40 0 EHABMO Cc1cccc(Nc2cc(C)nc([C@H]3C[N@H+](CC(C)C)CCO3)c2)n1 ZINC000257201197 244121357 /nfs/dbraw/zinc/12/13/57/244121357.db2.gz AGSODWUSAIDWMI-LJQANCHMSA-N 1 1 340.471 3.866 40 0 EHABMO Cc1cccc(Nc2cc(C)nc([C@H]3C[N@@H+](CC(C)C)CCO3)c2)n1 ZINC000257201197 244121367 /nfs/dbraw/zinc/12/13/67/244121367.db2.gz AGSODWUSAIDWMI-LJQANCHMSA-N 1 1 340.471 3.866 40 0 EHABMO c1cncc(C[N@@H+]2CCCC[C@H]2c2ccc(Nc3cnccn3)nc2)c1 ZINC000257236060 244228384 /nfs/dbraw/zinc/22/83/84/244228384.db2.gz HAQHDELHUWJONL-SFHVURJKSA-N 1 1 346.438 3.737 40 0 EHABMO c1cncc(C[N@H+]2CCCC[C@H]2c2ccc(Nc3cnccn3)nc2)c1 ZINC000257236060 244228388 /nfs/dbraw/zinc/22/83/88/244228388.db2.gz HAQHDELHUWJONL-SFHVURJKSA-N 1 1 346.438 3.737 40 0 EHABMO C[C@]1(COc2ccccc2)C[C@@H]2C[N@@H+](Cc3cncs3)CC[C@@H]2O1 ZINC000257237443 244233207 /nfs/dbraw/zinc/23/32/07/244233207.db2.gz HGMJQRFCEDBLQR-AYOQOUSVSA-N 1 1 344.480 3.592 40 0 EHABMO Cc1cccnc1Nc1cncc([C@H]2CCC[N@H+](CC(C)C)C2)n1 ZINC000072354315 203205444 /nfs/dbraw/zinc/20/54/44/203205444.db2.gz IGZYSWZSLYMLKI-INIZCTEOSA-N 1 1 325.460 3.759 40 0 EHABMO Cc1ccc(Nc2nccc([C@H]3CCC[N@@H+]3Cc3cccnc3)n2)nc1 ZINC000072377637 203208798 /nfs/dbraw/zinc/20/87/98/203208798.db2.gz XUNBBUJVWDPIIG-GOSISDBHSA-N 1 1 346.438 3.656 40 0 EHABMO Cc1ccc(Nc2nccc([C@H]3CCC[N@H+]3Cc3cccnc3)n2)nc1 ZINC000072377637 203208802 /nfs/dbraw/zinc/20/88/02/203208802.db2.gz XUNBBUJVWDPIIG-GOSISDBHSA-N 1 1 346.438 3.656 40 0 EHABMO Clc1cccc(C[N@H+]2CC[C@@H](c3nc(-c4ccncc4)no3)C2)c1 ZINC000072389920 203213400 /nfs/dbraw/zinc/21/34/00/203213400.db2.gz RTKIMRSEPVOONV-OAHLLOKOSA-N 1 1 340.814 3.775 40 0 EHABMO Cc1ccc(C[N@H+]2CC[C@H](c3nnc(Cc4ccccc4)o3)C2)cc1 ZINC000049169864 204369941 /nfs/dbraw/zinc/36/99/41/204369941.db2.gz FMFPJOVTWJOTHQ-IBGZPJMESA-N 1 1 333.435 3.958 40 0 biogenic,in-vitro EHABMO O=C(CC[N@H+]1CCN2c3ccccc3CC[C@H]2C1)c1ccc(F)cc1 ZINC000053073943 132185701 /nfs/dbraw/zinc/18/57/01/132185701.db2.gz DOHBWZBXSGIRIR-IBGZPJMESA-N 1 1 338.426 3.536 40 0 EHABMO COc1ccc(-c2cn(-c3ccc(OC)cc3)c3nc[nH+]c(N)c23)cc1 ZINC000001609269 563396031 /nfs/dbraw/zinc/39/60/31/563396031.db2.gz NCSADJIEKGVQTD-UHFFFAOYSA-N 1 1 346.390 3.687 40 0 EHABMO C[C@H]1C[C@H](OC[C@H](O)C[N@H+]2CCc3ccccc3C2)CC(C)(C)C1 ZINC000005073898 563520885 /nfs/dbraw/zinc/52/08/85/563520885.db2.gz QUUUPSHLTILKRI-DBVUQKKJSA-N 1 1 331.500 3.637 40 0 EHABMO COc1ccc(OC[C@@H]2[C@H]3CC[C@H](C3)[N@H+]2Cc2cccc(C)n2)cc1 ZINC000012085387 563653182 /nfs/dbraw/zinc/65/31/82/563653182.db2.gz BSNRKKGJMWTHSA-YRISNDGFSA-N 1 1 338.451 3.831 40 0 EHABMO COc1ccc(C[N@H+]2Cc3ccccc3OC3(CCOCC3)C2)cc1 ZINC000012122115 563654242 /nfs/dbraw/zinc/65/42/42/563654242.db2.gz QXXCJADUNDUFOY-UHFFFAOYSA-N 1 1 339.435 3.639 40 0 EHABMO CCOc1cc(C[N@@H+]2CCCCC[C@H]2c2ccn(C)n2)ccc1O ZINC000012120270 563654251 /nfs/dbraw/zinc/65/42/51/563654251.db2.gz QSAHRSIFFRMVJB-KRWDZBQOSA-N 1 1 329.444 3.642 40 0 EHABMO CCOc1cc(C[N@H+]2CCCCC[C@H]2c2ccn(C)n2)ccc1O ZINC000012120270 563654252 /nfs/dbraw/zinc/65/42/52/563654252.db2.gz QSAHRSIFFRMVJB-KRWDZBQOSA-N 1 1 329.444 3.642 40 0 EHABMO Cc1cc2nc([C@@H]3CCC[N@H+](C[C@@H](C)c4ccccc4)C3)cc(N)n2n1 ZINC000012667446 563667467 /nfs/dbraw/zinc/66/74/67/563667467.db2.gz FFJUBRKZDFQDBJ-CRAIPNDOSA-N 1 1 349.482 3.603 40 0 EHABMO C[N@H+]1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)CC(C)(C)C ZINC000019082725 563853505 /nfs/dbraw/zinc/85/35/05/563853505.db2.gz JZHLZTXHTAXVDW-ZHALLVOQSA-N 1 1 332.463 3.651 40 0 EHABMO Cc1[nH+]cc(CN(Cc2ccccn2)Cc2ccccc2Cl)n1C ZINC000019287309 563855503 /nfs/dbraw/zinc/85/55/03/563855503.db2.gz VSZGCZYIOPDJQT-UHFFFAOYSA-N 1 1 340.858 3.979 40 0 EHABMO COc1ccc([C@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3C)cc2)cc1 ZINC000044933282 563928429 /nfs/dbraw/zinc/92/84/29/563928429.db2.gz YVXYEBDVMOTZMP-HNNXBMFYSA-N 1 1 349.434 3.739 40 0 EHABMO c1sc([C@H]2C[C@@H]3CC[N@@H+](Cc4cccnc4)C[C@H]3O2)nc1C1CC1 ZINC000096046096 563977993 /nfs/dbraw/zinc/97/79/93/563977993.db2.gz XFYIWAMLFVFTQA-CGTJXYLNSA-N 1 1 341.480 3.768 40 0 EHABMO c1sc([C@H]2C[C@@H]3CC[N@H+](Cc4cccnc4)C[C@H]3O2)nc1C1CC1 ZINC000096046096 563977994 /nfs/dbraw/zinc/97/79/94/563977994.db2.gz XFYIWAMLFVFTQA-CGTJXYLNSA-N 1 1 341.480 3.768 40 0 EHABMO Cc1ccc(C[N@H+]2CC[C@]3(CCN(Cc4cccc(C)c4)C3=O)C2)o1 ZINC000096050569 563978412 /nfs/dbraw/zinc/97/84/12/563978412.db2.gz VDBOJIMCTRWGRT-NRFANRHFSA-N 1 1 338.451 3.521 40 0 EHABMO O=C(Nc1cccnc1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225577407 564047933 /nfs/dbraw/zinc/04/79/33/564047933.db2.gz CYHXJTPINLXXHX-UHFFFAOYSA-N 1 1 347.821 3.725 40 0 EHABMO NC(=O)c1sc2ncccc2c1[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000257299877 564055017 /nfs/dbraw/zinc/05/50/17/564055017.db2.gz RSARXWPMBPRWLO-GFCCVEGCSA-N 1 1 329.469 3.517 40 0 EHABMO CC(=O)N1CC[N@@H+](Cc2ccc3ncccc3c2)C[C@H]1c1ccccc1 ZINC000257299002 564055042 /nfs/dbraw/zinc/05/50/42/564055042.db2.gz ROHDMKAZDYLOPK-QFIPXVFZSA-N 1 1 345.446 3.640 40 0 EHABMO c1cc(-c2ccc3nc([C@H]4CCC[N@H+](C5CCC5)C4)nn3c2)ccn1 ZINC000306129177 564062138 /nfs/dbraw/zinc/06/21/38/564062138.db2.gz HWMXMBBWJUOWFB-KRWDZBQOSA-N 1 1 333.439 3.523 40 0 EHABMO Fc1ccccc1C[NH+]1CCN(c2ccc(-n3cccc3)cc2)CC1 ZINC000226246138 564117214 /nfs/dbraw/zinc/11/72/14/564117214.db2.gz CVXYSAILGAQGAM-UHFFFAOYSA-N 1 1 335.426 3.939 40 0 EHABMO Fc1ccc(C[N@H+]2CC[C@@]3(C[C@H](Nc4cccc(F)c4)CO3)C2)cc1 ZINC000096047593 564128684 /nfs/dbraw/zinc/12/86/84/564128684.db2.gz XWDSOENHFAHJIU-VQTJNVASSA-N 1 1 344.405 3.810 40 0 EHABMO c1csc(-c2noc([C@@H]3CC[N@H+](CCc4ccccc4)C3)n2)c1 ZINC000019371215 202005845 /nfs/dbraw/zinc/00/58/45/202005845.db2.gz KKGJXXVJQALWNZ-OAHLLOKOSA-N 1 1 325.437 3.830 40 0 EHABMO C[C@@H]1C[C@H]1C(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)C[N@H+]2C ZINC000019463445 202008358 /nfs/dbraw/zinc/00/83/58/202008358.db2.gz LIADLCRLGJFXFF-QSWMPLQWSA-N 1 1 344.474 3.651 40 0 EHABMO CC(C)c1ncc(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)cn1 ZINC000019453924 202009178 /nfs/dbraw/zinc/00/91/78/202009178.db2.gz JJUGZZBFMJUMRM-LJQANCHMSA-N 1 1 343.446 3.920 40 0 EHABMO CC(C)c1ncc(C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)cn1 ZINC000019453924 202009180 /nfs/dbraw/zinc/00/91/80/202009180.db2.gz JJUGZZBFMJUMRM-LJQANCHMSA-N 1 1 343.446 3.920 40 0 EHABMO CCn1cc(CN(Cc2cccs2)C[C@@H]2CCC[N@H+]2CC)c(C)n1 ZINC000019524503 202010569 /nfs/dbraw/zinc/01/05/69/202010569.db2.gz NDUYZOXIUSOOFZ-SFHVURJKSA-N 1 1 346.544 3.759 40 0 EHABMO CCN1CC[NH+]([C@@H](c2c(C)[nH]c3ccccc32)c2ccncc2)CC1 ZINC000020192865 202035102 /nfs/dbraw/zinc/03/51/02/202035102.db2.gz FFUNCPDGSUPTDM-OAQYLSRUSA-N 1 1 334.467 3.598 40 0 EHABMO C=Cn1cc(CN(Cc2cccs2)C[C@@H]2CCC[N@@H+]2CC)c(C)n1 ZINC000036741274 202330085 /nfs/dbraw/zinc/33/00/85/202330085.db2.gz RQXLSBHMVALLJC-SFHVURJKSA-N 1 1 344.528 3.840 40 0 EHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CCc1ccc(OC)c(C)c1 ZINC000225883369 242069454 /nfs/dbraw/zinc/06/94/54/242069454.db2.gz LOQQNFFZRJMEDZ-LJQANCHMSA-N 1 1 346.515 3.707 40 0 EHABMO c1cn(-c2cccc([C@@H]3CCC[N@H+](CCc4ccccc4)C3)n2)cn1 ZINC000072378698 203209948 /nfs/dbraw/zinc/20/99/48/203209948.db2.gz JGNYCHDWSLBWFY-LJQANCHMSA-N 1 1 332.451 3.689 40 0 EHABMO Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC000072345880 203203708 /nfs/dbraw/zinc/20/37/08/203203708.db2.gz HAIBHZOCHPGERW-OAHLLOKOSA-N 1 1 340.446 3.987 40 0 EHABMO Cc1c[nH]c(-c2cc(C[C@H]3CCC[N@H+](C4CCCCC4)C3)ncn2)n1 ZINC000257241366 244245842 /nfs/dbraw/zinc/24/58/42/244245842.db2.gz HXUNACJHEFBYMJ-MRXNPFEDSA-N 1 1 339.487 3.762 40 0 EHABMO C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1ccc3ccccc3n1)C2 ZINC000257270722 244375867 /nfs/dbraw/zinc/37/58/67/244375867.db2.gz MVKKLCQFNXVJKQ-IBHRTIHJSA-N 1 1 349.478 3.712 40 0 EHABMO CC(C)[N@H+]1CCC[C@H]1c1nc(-c2ccc(-c3ccncc3)nc2)no1 ZINC000049155512 204369743 /nfs/dbraw/zinc/36/97/43/204369743.db2.gz KBKPRNQIZALSLW-KRWDZBQOSA-N 1 1 335.411 3.739 40 0 biogenic,in-vitro EHABMO CC(C)c1ccc(OCCOC[C@H](O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000226170427 205116316 /nfs/dbraw/zinc/11/63/16/205116316.db2.gz OKDQYRMAQYYREX-WSTZPKSXSA-N 1 1 349.515 3.829 40 0 EHABMO c1ccc(CO[C@@H]2CCCC[C@@H]2[N@H+]2CCN[C@H]3CCCC[C@H]32)cc1 ZINC000252515466 257659430 /nfs/dbraw/zinc/65/94/30/257659430.db2.gz KHCKVAHSJRUZNI-JSXRDJHFSA-N 1 1 328.500 3.731 40 0 EHABMO c1ccc(CO[C@@H]2CCCC[C@@H]2N2CC[NH2+][C@H]3CCCC[C@H]32)cc1 ZINC000252515466 257659432 /nfs/dbraw/zinc/65/94/32/257659432.db2.gz KHCKVAHSJRUZNI-JSXRDJHFSA-N 1 1 328.500 3.731 40 0 EHABMO CN1CCC([N@@H+]2CCC[C@H]2c2ncc(Cc3cccc(F)c3)o2)CC1 ZINC000257213396 536340240 /nfs/dbraw/zinc/34/02/40/536340240.db2.gz CHKKSRHAGLSWMR-IBGZPJMESA-N 1 1 343.446 3.636 40 0 EHABMO CN1CCC([N@H+]2CCC[C@H]2c2ncc(Cc3cccc(F)c3)o2)CC1 ZINC000257213396 536340241 /nfs/dbraw/zinc/34/02/41/536340241.db2.gz CHKKSRHAGLSWMR-IBGZPJMESA-N 1 1 343.446 3.636 40 0 EHABMO C[NH2+]CCCNCc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000008377044 563628261 /nfs/dbraw/zinc/62/82/61/563628261.db2.gz RAGRZCRENIIGSH-UHFFFAOYSA-N 1 1 348.874 3.627 40 0 EHABMO CC[N@H+]1CCC[C@H]1CNc1ncc(-c2ccccn2)c(-c2ccco2)n1 ZINC000012222128 563656072 /nfs/dbraw/zinc/65/60/72/563656072.db2.gz DRCLWTVEGSZKNL-HNNXBMFYSA-N 1 1 349.438 3.695 40 0 EHABMO CC(=O)OCc1ccc(C[N@@H+]2CCCCC[C@H]2c2cc(C)no2)o1 ZINC000019120288 563854037 /nfs/dbraw/zinc/85/40/37/563854037.db2.gz BMJRAYMMHPEAJU-KRWDZBQOSA-N 1 1 332.400 3.756 40 0 EHABMO CC(=O)OCc1ccc(C[N@H+]2CCCCC[C@H]2c2cc(C)no2)o1 ZINC000019120288 563854039 /nfs/dbraw/zinc/85/40/39/563854039.db2.gz BMJRAYMMHPEAJU-KRWDZBQOSA-N 1 1 332.400 3.756 40 0 EHABMO CC[C@@H](C)[N@H+]1CCC[C@]2(CCC(=O)N2Cc2ccc(F)cc2)CC1 ZINC000585100075 563971338 /nfs/dbraw/zinc/97/13/38/563971338.db2.gz DYYWATQSCHSRIB-UZLBHIALSA-N 1 1 332.463 3.971 40 0 EHABMO CCCC[N@H+]1CCC[C@]2(CCC(=O)N2Cc2ccc(F)cc2)CC1 ZINC000585100460 563971346 /nfs/dbraw/zinc/97/13/46/563971346.db2.gz KYDVTQQWWABNJO-FQEVSTJZSA-N 1 1 332.463 3.973 40 0 EHABMO Cc1ccc(C[NH+]2CC3(C2)C[C@@H](OCc2cccc(C)n2)CS3)o1 ZINC000585104329 563971535 /nfs/dbraw/zinc/97/15/35/563971535.db2.gz HEUTUJYTOCLAQB-GOSISDBHSA-N 1 1 344.480 3.568 40 0 EHABMO Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(Cc2ccccn2)C3)s1 ZINC000096046949 563978213 /nfs/dbraw/zinc/97/82/13/563978213.db2.gz LYCVYMUENSUMOH-FQEVSTJZSA-N 1 1 341.524 3.940 40 0 EHABMO COc1ccc(N[C@@H]2CO[C@]3(CC[N@@H+](Cc4cccs4)C3)C2)cc1 ZINC000096047603 563978266 /nfs/dbraw/zinc/97/82/66/563978266.db2.gz AYISQKGCRWQKOS-QFBILLFUSA-N 1 1 344.480 3.602 40 0 EHABMO Cc1ccc(N2C[C@]3(CC[N@@H+](Cc4ccsc4)C3)CC2=O)s1 ZINC000096050860 563978492 /nfs/dbraw/zinc/97/84/92/563978492.db2.gz NACFCVGINLBSGX-QGZVFWFLSA-N 1 1 332.494 3.747 40 0 EHABMO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccsc3)C[C@@H]12 ZINC000096058452 563978755 /nfs/dbraw/zinc/97/87/55/563978755.db2.gz PFZHTKMXLGYDMR-UXHICEINSA-N 1 1 340.492 3.513 40 0 EHABMO COc1ccc(C[N@@H+]2CCc3c(COCC4CC4)cncc3C2)cc1 ZINC000096059308 563978875 /nfs/dbraw/zinc/97/88/75/563978875.db2.gz BGGVGLPYVZMAGO-UHFFFAOYSA-N 1 1 338.451 3.575 40 0 EHABMO COc1ccc(C[N@H+]2CCc3c(COCC4CC4)cncc3C2)cc1 ZINC000096059308 563978876 /nfs/dbraw/zinc/97/88/76/563978876.db2.gz BGGVGLPYVZMAGO-UHFFFAOYSA-N 1 1 338.451 3.575 40 0 EHABMO Cc1cc(C[N@H+]2CC[C@@]3(C2)CCCN(Cc2nccs2)C3)oc1C ZINC000096215821 563980342 /nfs/dbraw/zinc/98/03/42/563980342.db2.gz RHQQRZZVKRHPGO-IBGZPJMESA-N 1 1 345.512 3.841 40 0 EHABMO CC[C@](C)(OC)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225602250 564048242 /nfs/dbraw/zinc/04/82/42/564048242.db2.gz BNOLJANVSRFANS-JXFKEZNVSA-N 1 1 348.487 3.693 40 0 EHABMO CC(C)N(Cc1ccccc1)C(=O)c1cc([C@@H]2CCC[N@H+]2C)ccn1 ZINC000257287910 564054811 /nfs/dbraw/zinc/05/48/11/564054811.db2.gz PRYIEYNKALZSTG-FQEVSTJZSA-N 1 1 337.467 3.899 40 0 EHABMO Cc1ncc(CN(C)C)c([C@H]2CCC[N@H+]2Cc2cccc3[nH]ccc32)n1 ZINC000257318690 564055415 /nfs/dbraw/zinc/05/54/15/564055415.db2.gz VOZWRWSVUBLIQT-HXUWFJFHSA-N 1 1 349.482 3.665 40 0 EHABMO Clc1ccc2c(c1)CCN(c1cc(C3CC3)[nH+]c(NC3CC3)n1)C2 ZINC000328983295 564071258 /nfs/dbraw/zinc/07/12/58/564071258.db2.gz HGAFVKKJQVSBDJ-UHFFFAOYSA-N 1 1 340.858 3.566 40 0 EHABMO CC(C)(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@H+](Cc3ccncc3)C[C@@H]21 ZINC000585109302 1040714281 /nfs/dbraw/zinc/71/42/81/1040714281.db2.gz IAJFEOKURLVECY-SLFFLAALSA-N 1 1 349.478 3.514 40 0 EHABMO CN(C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000058819901 214605852 /nfs/dbraw/zinc/60/58/52/214605852.db2.gz MWXLLMQBDZNZJB-QGZVFWFLSA-N 1 1 326.415 3.701 40 0 EHABMO S=C(Nc1ccc(Cl)cc1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000035312299 213019103 /nfs/dbraw/zinc/01/91/03/213019103.db2.gz VJJQGYZXFRWUFV-VHRNVKJDSA-N 1 1 335.904 3.784 40 0 EHABMO COc1cccc(-c2noc([C@@H]3CC[N@@H+](Cc4cccs4)C3)n2)c1 ZINC000072369859 216178192 /nfs/dbraw/zinc/17/81/92/216178192.db2.gz JABXVNZVZOFMOL-CQSZACIVSA-N 1 1 341.436 3.796 40 0 EHABMO Cc1noc(C)c1-c1ccc([C@H]2CCC[N@@H+](Cc3cnccn3)C2)nc1 ZINC000257235185 244227730 /nfs/dbraw/zinc/22/77/30/244227730.db2.gz GWVDVLXMFOGABK-KRWDZBQOSA-N 1 1 349.438 3.523 40 0 EHABMO Cc1nc2c(c(=O)[nH]1)CC[N@H+](Cc1cccc(Oc3ccccc3)c1)C2 ZINC000019576623 212046130 /nfs/dbraw/zinc/04/61/30/212046130.db2.gz MUVAZEBHLLGPQD-UHFFFAOYSA-N 1 1 347.418 3.841 40 0 EHABMO Cc1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1cccc(Oc3ccccc3)c1)C2 ZINC000019576623 212046132 /nfs/dbraw/zinc/04/61/32/212046132.db2.gz MUVAZEBHLLGPQD-UHFFFAOYSA-N 1 1 347.418 3.841 40 0 EHABMO COc1cc2c(cc1C[N@@H+]1CCc3sccc3[C@H]1C)OCCO2 ZINC000019498352 212032727 /nfs/dbraw/zinc/03/27/27/212032727.db2.gz BOLCJTUIXZXLID-GFCCVEGCSA-N 1 1 331.437 3.647 40 0 EHABMO COc1cc2c(cc1C[N@H+]1CCc3sccc3[C@H]1C)OCCO2 ZINC000019498352 212032728 /nfs/dbraw/zinc/03/27/28/212032728.db2.gz BOLCJTUIXZXLID-GFCCVEGCSA-N 1 1 331.437 3.647 40 0 EHABMO O=c1oc2ccccc2n1[C@@H]1CCC[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC000012119158 211297925 /nfs/dbraw/zinc/29/79/25/211297925.db2.gz ITUWCPKZFFHTMT-MRXNPFEDSA-N 1 1 347.418 3.913 40 0 EHABMO CSCC[C@H]([NH3+])c1nnc(SCc2ccc(Cl)cc2)o1 ZINC000223811231 564040934 /nfs/dbraw/zinc/04/09/34/564040934.db2.gz BUBHFJWKDCAHTA-NSHDSACASA-N 1 1 329.878 3.768 40 0 EHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N(C)Cc2ccc(C)cc2)cc1 ZINC000044940681 563928502 /nfs/dbraw/zinc/92/85/02/563928502.db2.gz NKQXDHBKEFGPPR-UHFFFAOYSA-N 1 1 333.435 3.820 40 0 EHABMO CC[C@H](C)[N@H+]1CCC[C@]2(CCC(=O)N2Cc2csc(C)n2)CC1 ZINC000585100792 563971481 /nfs/dbraw/zinc/97/14/81/563971481.db2.gz WSFJDOUUTOEEBZ-KSSFIOAISA-N 1 1 335.517 3.597 40 0 EHABMO C[C@]12C[C@@H](Cc3ccccc3)[N@@H+](Cc3ccccc3)[C@H]1CCCC(=O)N2 ZINC000095951587 563977839 /nfs/dbraw/zinc/97/78/39/563977839.db2.gz LWLJVCPUMSPNNQ-GIWBLDEGSA-N 1 1 348.490 3.931 40 0 biogenic EHABMO C[N@@H+](Cc1ccco1)[C@H]1CCC12CCN(Cc1nccs1)CC2 ZINC000096051555 563978612 /nfs/dbraw/zinc/97/86/12/563978612.db2.gz CMMQWHXQIXEKDC-INIZCTEOSA-N 1 1 331.485 3.613 40 0 EHABMO Cc1ccc(C[N@H+]2CCCC3(CCN(C(=O)C4CC4)CC3)C2)cc1 ZINC000096158519 563979823 /nfs/dbraw/zinc/97/98/23/563979823.db2.gz RZUYWAJDSKBTOD-UHFFFAOYSA-N 1 1 326.484 3.610 40 0 EHABMO O[C@@]1(COc2ccccc2)CCC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000585270080 563981406 /nfs/dbraw/zinc/98/14/06/563981406.db2.gz DTQHXHOQXHWMNH-NRFANRHFSA-N 1 1 336.435 3.574 40 0 EHABMO COc1ccc(-c2ccccc2)cc1C[N@H+](CCO)Cc1cccnc1 ZINC000013569624 564020130 /nfs/dbraw/zinc/02/01/30/564020130.db2.gz PVWJLTLQAQZNAD-UHFFFAOYSA-N 1 1 348.446 3.752 40 0 EHABMO COc1ccc(-c2ccccc2)cc1C[N@@H+](CCO)Cc1cccnc1 ZINC000013569624 564020131 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564048219 /nfs/dbraw/zinc/04/82/19/564048219.db2.gz MAMONPJZOKNQMS-MRXNPFEDSA-N 1 1 348.487 3.551 40 0 EHABMO Cc1cc(C)c(C(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1C ZINC000225651186 564048980 /nfs/dbraw/zinc/04/89/80/564048980.db2.gz PMQBIEDIIQBTEI-UHFFFAOYSA-N 1 1 336.479 3.790 40 0 EHABMO CCOc1ccc(C(=O)NCCC[N@H+]2CCCC[C@H]2CC)cc1C ZINC000260762064 564052522 /nfs/dbraw/zinc/05/25/22/564052522.db2.gz GCLPZMRZGVJPDK-GOSISDBHSA-N 1 1 332.488 3.778 40 0 EHABMO Cc1cn(C)c([C@@H]2CCC[N@@H+](Cc3cnc(-c4ccccc4)nc3)C2)n1 ZINC000257285321 564054783 /nfs/dbraw/zinc/05/47/83/564054783.db2.gz PGPPJZUOMGJJAF-LJQANCHMSA-N 1 1 347.466 3.565 40 0 EHABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCc3ccccc3)cc2)C1 ZINC000038832965 213227076 /nfs/dbraw/zinc/22/70/76/213227076.db2.gz JPSCONBINUQDGT-GOSISDBHSA-N 1 1 336.479 3.891 40 0 EHABMO Cc1cccc(-c2nccnc2[C@H]2CCC[N@H+](Cc3cnn(C)c3)C2)c1 ZINC000072359050 216165560 /nfs/dbraw/zinc/16/55/60/216165560.db2.gz JZGYMJWZPLDJGB-IBGZPJMESA-N 1 1 347.466 3.565 40 0 EHABMO Cc1nc(C[N@@H+]2CCC[C@H](c3nc(C)n4c(C)c(C)sc34)C2)co1 ZINC000072367972 216175171 /nfs/dbraw/zinc/17/51/71/216175171.db2.gz UTNSKCAOWDUHRS-HNNXBMFYSA-N 1 1 344.484 3.997 40 0 EHABMO Cc1nc(C[N@H+]2CCC[C@H](c3nc(C)n4c(C)c(C)sc34)C2)co1 ZINC000072367972 216175174 /nfs/dbraw/zinc/17/51/74/216175174.db2.gz UTNSKCAOWDUHRS-HNNXBMFYSA-N 1 1 344.484 3.997 40 0 EHABMO c1cn(-c2cccc([C@H]3CCC[N@H+](CCOc4ccccc4)C3)n2)cn1 ZINC000072378782 216181383 /nfs/dbraw/zinc/18/13/83/216181383.db2.gz YIDUCVLPKQMEND-SFHVURJKSA-N 1 1 348.450 3.526 40 0 EHABMO Cc1cc(C)nc([C@H]2CC[N@@H+](Cc3c[nH]nc3-c3cccs3)C2)n1 ZINC000072369726 216177837 /nfs/dbraw/zinc/17/78/37/216177837.db2.gz SVLBJZFHIPMQFX-AWEZNQCLSA-N 1 1 339.468 3.535 40 0 EHABMO Cc1cccnc1[C@]1(O)CC[C@H]2C[N@@H+](Cc3ccccc3Cl)C[C@H]21 ZINC000072392519 216190577 /nfs/dbraw/zinc/19/05/77/216190577.db2.gz GSRSSWJLKQAFLJ-VPWXQRGCSA-N 1 1 342.870 3.773 40 0 EHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](C)Oc1cccc(C)c1C ZINC000022523922 212304857 /nfs/dbraw/zinc/30/48/57/212304857.db2.gz RXZKIHHYUJKCKH-MOPGFXCFSA-N 1 1 346.515 3.842 40 0 EHABMO CCN(CC)CC[NH2+]Cc1ccccc1OCc1ccc(F)cc1 ZINC000022075296 212277036 /nfs/dbraw/zinc/27/70/36/212277036.db2.gz QRNGIAHWAJOHBH-UHFFFAOYSA-N 1 1 330.447 3.836 40 0 EHABMO O=C(CCc1ccccc1)N1CCC[C@@H]2[C@H]1CCCC[N@H+]2CC1CC1 ZINC000257203853 244127014 /nfs/dbraw/zinc/12/70/14/244127014.db2.gz ARYCXKYBCITIEQ-NHCUHLMSSA-N 1 1 340.511 3.875 40 0 EHABMO Cc1ncc(-c2ccc(C[C@@H]3CCC[N@H+](C4CCCC4)C3)cn2)n1C ZINC000257221220 244184296 /nfs/dbraw/zinc/18/42/96/244184296.db2.gz DOALMOLRFDPNKY-SFHVURJKSA-N 1 1 338.499 3.988 40 0 EHABMO Cc1oc2ccc(O)cc2c1C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000019581577 212047091 /nfs/dbraw/zinc/04/70/91/212047091.db2.gz CQUNNAWXZXCRRN-OKILXGFUSA-N 1 1 344.455 3.545 40 0 EHABMO COc1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2CCSC)c(C)c1C ZINC000019577400 212045299 /nfs/dbraw/zinc/04/52/99/212045299.db2.gz MUJHPKUNCORXJF-RBUKOAKNSA-N 1 1 348.556 3.714 40 0 EHABMO O=c1cc([C@H]2CCCC[N@H+]2Cc2ccccc2)nc(-c2cccnc2)[nH]1 ZINC000019372026 212023399 /nfs/dbraw/zinc/02/33/99/212023399.db2.gz CEECWEDLPKUQKC-LJQANCHMSA-N 1 1 346.434 3.559 40 0 EHABMO CCOc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3CC(C)C)cc1 ZINC000004886593 210311102 /nfs/dbraw/zinc/31/11/02/210311102.db2.gz BYYRWWOWPNLXGV-YQQQUEKLSA-N 1 1 344.499 3.857 40 0 EHABMO CC1CC[NH+]([C@@H](c2nnnn2C2CCCC2)c2ccccc2)CC1 ZINC000004847661 210299152 /nfs/dbraw/zinc/29/91/52/210299152.db2.gz LISIFAWKIDVTLT-GOSISDBHSA-N 1 1 325.460 3.610 40 0 EHABMO C[C@@H]1C[C@H](C)C[N@H+](C[C@H](O)COC2CCC(C(C)(C)C)CC2)C1 ZINC000006008116 563557042 /nfs/dbraw/zinc/55/70/42/563557042.db2.gz FROLMVAMIZKMMK-WHBLYCTDSA-N 1 1 325.537 3.947 40 0 EHABMO CC[C@H](C)c1ccccc1OC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000006356055 563565869 /nfs/dbraw/zinc/56/58/69/563565869.db2.gz WSEOTWCMPKAJSV-FXAWDEMLSA-N 1 1 339.479 3.998 40 0 EHABMO C[N@H+]1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)C(C)(C)C ZINC000019081502 563853683 /nfs/dbraw/zinc/85/36/83/563853683.db2.gz YQWUIALTROFJQZ-GUDVDZBRSA-N 1 1 328.500 3.902 40 0 EHABMO O=C(OCc1ccccc1C[NH+]1CCOCC1)c1cccc(Cl)c1 ZINC000031720400 563912927 /nfs/dbraw/zinc/91/29/27/563912927.db2.gz JQRPZLKNELEFIN-UHFFFAOYSA-N 1 1 345.826 3.529 40 0 EHABMO Cc1cc(C[N@@H+](CCO)Cc2cccnc2)c(C)n1Cc1ccccc1 ZINC000013569664 563930215 /nfs/dbraw/zinc/93/02/15/563930215.db2.gz GMISHFMCQSFJCJ-UHFFFAOYSA-N 1 1 349.478 3.543 40 0 EHABMO CC(C)C[N@H+]1CC[C@]12CCCN(C(=O)c1cc(Cl)ccc1F)C2 ZINC000585101821 563971474 /nfs/dbraw/zinc/97/14/74/563971474.db2.gz HLXMPNATYQRNJT-SFHVURJKSA-N 1 1 338.854 3.816 40 0 EHABMO O=C(c1cccs1)N1CCC[C@]2(CC[N@@H+](Cc3ccsc3)C2)C1 ZINC000096047009 563978170 /nfs/dbraw/zinc/97/81/70/563978170.db2.gz GBMJCGVQJYYSIH-GOSISDBHSA-N 1 1 346.521 3.938 40 0 EHABMO Cc1occc1C(=O)N1CCC2(CC[C@@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC000096051578 563978574 /nfs/dbraw/zinc/97/85/74/563978574.db2.gz SMGBWZGSDYYRFH-SFHVURJKSA-N 1 1 342.439 3.698 40 0 EHABMO C[N@@H+](Cc1ccco1)[C@H]1CCC12CCN(C(=O)c1ccsc1)CC2 ZINC000096051581 563978628 /nfs/dbraw/zinc/97/86/28/563978628.db2.gz AXYOHUIXRYLTAV-KRWDZBQOSA-N 1 1 344.480 3.858 40 0 EHABMO Fc1cccc(CN2CCC3(CCC[N@H+]3Cc3cccnc3)CC2)c1 ZINC000096075367 563979088 /nfs/dbraw/zinc/97/90/88/563979088.db2.gz VAXAAUODZCBDNH-UHFFFAOYSA-N 1 1 339.458 3.851 40 0 EHABMO Cc1csc(C[N@H+]2C[C@H]3CCC[C@@]3(COCc3ccccn3)C2)n1 ZINC000096111050 563979353 /nfs/dbraw/zinc/97/93/53/563979353.db2.gz AMJOFWJQKPSGTM-APWZRJJASA-N 1 1 343.496 3.665 40 0 EHABMO Cc1noc(C)c1CN1CCC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000096215993 563980331 /nfs/dbraw/zinc/98/03/31/563980331.db2.gz OEJCXJUMWYHSFS-NRFANRHFSA-N 1 1 339.483 3.780 40 0 EHABMO Cc1[nH+]c(N(C)C)ccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072218735 563985655 /nfs/dbraw/zinc/98/56/55/563985655.db2.gz XOEUEZBDQIAHFV-SFHVURJKSA-N 1 1 339.439 3.930 40 0 EHABMO CCOc1ccc2[nH]c(=O)c(C[NH2+]Cc3ccccc3Cl)cc2c1 ZINC000013998761 564020871 /nfs/dbraw/zinc/02/08/71/564020871.db2.gz JXBLCEQBIXWWNV-UHFFFAOYSA-N 1 1 342.826 3.870 40 0 EHABMO Fc1ccccc1-c1nnc([C@H]2CC[N@@H+](Cc3cccs3)C2)o1 ZINC000049170573 564032608 /nfs/dbraw/zinc/03/26/08/564032608.db2.gz RMXZAHBSASFDFV-LBPRGKRZSA-N 1 1 329.400 3.927 40 0 biogenic,in-vitro EHABMO CC(C)CC[N@H+]1CC[C@H](c2nnc(Cc3c[nH]c4ccccc34)o2)C1 ZINC000049169755 564032655 /nfs/dbraw/zinc/03/26/55/564032655.db2.gz SOYWIKIQSWFOAQ-HNNXBMFYSA-N 1 1 338.455 3.977 40 0 biogenic,in-vitro EHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc2c(c1)CCCC2 ZINC000225629488 564048666 /nfs/dbraw/zinc/04/86/66/564048666.db2.gz XHZGNVCUCZZYRN-UHFFFAOYSA-N 1 1 345.446 3.990 40 0 EHABMO Cc1ncc(-c2ccc(C[C@H]3CCC[N@H+](CC(C)C)C3)cn2)n1C ZINC000257285340 564054773 /nfs/dbraw/zinc/05/47/73/564054773.db2.gz PGRHOEQCRUMWFD-GOSISDBHSA-N 1 1 326.488 3.701 40 0 EHABMO Cc1nc(Nc2cc(C)nc([C@@H]3CC[N@H+](C(C)C)C3)n2)sc1C ZINC000257291898 564054867 /nfs/dbraw/zinc/05/48/67/564054867.db2.gz QJCUMXDOAOCGCL-CQSZACIVSA-N 1 1 331.489 3.800 40 0 EHABMO Fc1ccc(C[N@H+]2C[C@@H]3Cn4c(-c5ccccc5)cnc4C[C@@H]3C2)cc1 ZINC000306129490 564062183 /nfs/dbraw/zinc/06/21/83/564062183.db2.gz IESPOGISSLPVGL-RTBURBONSA-N 1 1 347.437 3.994 40 0 EHABMO c1cc(-c2ccc3nc([C@@H]4CCC[N@H+](C5CCC5)C4)nn3c2)ccn1 ZINC000306129178 564062213 /nfs/dbraw/zinc/06/22/13/564062213.db2.gz HWMXMBBWJUOWFB-QGZVFWFLSA-N 1 1 333.439 3.523 40 0 EHABMO C[N@H+]1CC[C@@]2(CCN(Cc3cc(C(F)(F)F)ccc3Cl)C2)C1 ZINC000063527708 564066327 /nfs/dbraw/zinc/06/63/27/564066327.db2.gz ZFMDNVTZAQBDKQ-OAHLLOKOSA-N 1 1 332.797 3.886 40 0 EHABMO CCNc1cc(N2CCc3cc([C@@H](C)O)ccc3C2)[nH+]c(C(C)C)n1 ZINC000328970885 564071058 /nfs/dbraw/zinc/07/10/58/564071058.db2.gz DNHUXEHFHPBCNF-CQSZACIVSA-N 1 1 340.471 3.648 40 0 EHABMO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[N@H+]1CCN[C@H]2CCCC[C@H]21 ZINC000252514046 564133817 /nfs/dbraw/zinc/13/38/17/564133817.db2.gz AYRHIEIVWIXGOF-YOUFYPILSA-N 1 1 328.500 3.901 40 0 EHABMO Cc1ccccc1O[C@@H]1CCCC[C@@H]1N1CC[NH2+][C@H]2CCCC[C@H]21 ZINC000252514046 564133818 /nfs/dbraw/zinc/13/38/18/564133818.db2.gz AYRHIEIVWIXGOF-YOUFYPILSA-N 1 1 328.500 3.901 40 0 EHABMO c1ccc(CO[C@H]2CCCC[C@H]2[N@H+]2CCN[C@@H]3CCCC[C@@H]32)cc1 ZINC000225714680 564150404 /nfs/dbraw/zinc/15/04/04/564150404.db2.gz KHCKVAHSJRUZNI-MHTWAQMVSA-N 1 1 328.500 3.731 40 0 EHABMO c1ccc(CO[C@H]2CCCC[C@H]2N2CC[NH2+][C@@H]3CCCC[C@@H]32)cc1 ZINC000225714680 564150405 /nfs/dbraw/zinc/15/04/05/564150405.db2.gz KHCKVAHSJRUZNI-MHTWAQMVSA-N 1 1 328.500 3.731 40 0 EHABMO c1coc(-c2nnc([C@H]3CC[N@H+](Cc4c[nH]c5ccccc45)C3)o2)c1 ZINC000049169494 213992289 /nfs/dbraw/zinc/99/22/89/213992289.db2.gz IAYHQDQWYKNFGV-ZDUSSCGKSA-N 1 1 334.379 3.800 40 0 biogenic,in-vitro EHABMO Cc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccco4)[C@H]3C2)o1 ZINC000107746120 219805250 /nfs/dbraw/zinc/80/52/50/219805250.db2.gz DXSBUYCZZPYIQT-RYQLBKOJSA-N 1 1 342.439 3.554 40 0 EHABMO COc1cccc(N(C)C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000225901964 242075767 /nfs/dbraw/zinc/07/57/67/242075767.db2.gz VMNRIIVPFVOTEL-GOSISDBHSA-N 1 1 338.451 3.570 40 0 EHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H](C)Oc1ccc(C)cc1 ZINC000020493353 212139206 /nfs/dbraw/zinc/13/92/06/212139206.db2.gz SHNJGXHUTZEADE-MRXNPFEDSA-N 1 1 349.434 3.573 40 0 EHABMO Cc1cc(-c2cnc(N)nc2)cc([C@H]2CCC[N@H+]2CC(C)(C)C)n1 ZINC000019690972 212055516 /nfs/dbraw/zinc/05/55/16/212055516.db2.gz WXALDVNCAZOLMM-QGZVFWFLSA-N 1 1 325.460 3.612 40 0 EHABMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](Cc2ccnn2C)C1 ZINC000019658626 212054221 /nfs/dbraw/zinc/05/42/21/212054221.db2.gz HZIVQDPCUSCFAI-INIZCTEOSA-N 1 1 337.471 3.730 40 0 EHABMO C[C@H]1C[C@@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@H+]2C ZINC000019495816 212032296 /nfs/dbraw/zinc/03/22/96/212032296.db2.gz FVEFMSZTHXCPMG-XCZFOBESSA-N 1 1 326.484 3.511 40 0 EHABMO O=c1oc2ccccc2n1[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000012119181 211298148 /nfs/dbraw/zinc/29/81/48/211298148.db2.gz UYFVGKAFHAKQFC-AWEZNQCLSA-N 1 1 344.361 3.710 40 0 EHABMO O=c1oc2ccccc2n1[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000012119181 211298153 /nfs/dbraw/zinc/29/81/53/211298153.db2.gz UYFVGKAFHAKQFC-AWEZNQCLSA-N 1 1 344.361 3.710 40 0 EHABMO CC(C)C[N@H+]1C[C@@H]2CCC[C@H](C1)C2CC(=O)NCc1cccs1 ZINC000096252233 218722661 /nfs/dbraw/zinc/72/26/61/218722661.db2.gz BTZRIVYFWFUBKO-BYICEURKSA-N 1 1 334.529 3.759 40 0 EHABMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000004894441 210314032 /nfs/dbraw/zinc/31/40/32/210314032.db2.gz QWLCZUXANZYZJJ-HDICACEKSA-N 1 1 336.479 3.870 40 0 EHABMO OCc1c(C[NH+]2CCOCC2)c(-c2ccccc2)oc1-c1ccccc1 ZINC000031772952 563912977 /nfs/dbraw/zinc/91/29/77/563912977.db2.gz RLAVZVSWKZWJLZ-UHFFFAOYSA-N 1 1 349.430 3.938 40 0 EHABMO COc1ccc([C@@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3C)cc2)cc1 ZINC000044933284 563928384 /nfs/dbraw/zinc/92/83/84/563928384.db2.gz YVXYEBDVMOTZMP-OAHLLOKOSA-N 1 1 349.434 3.739 40 0 EHABMO CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc3c(c1)CCC3)CC2 ZINC000585100702 563971422 /nfs/dbraw/zinc/97/14/22/563971422.db2.gz UEYQEEUUTFWMIQ-NRFANRHFSA-N 1 1 326.484 3.542 40 0 EHABMO Cc1ccc(N2C[C@@]3(CC[N@@H+](Cc4cccs4)C3)CC2=O)s1 ZINC000096050857 563978532 /nfs/dbraw/zinc/97/85/32/563978532.db2.gz BXTFZDMFGIHFPF-KRWDZBQOSA-N 1 1 332.494 3.747 40 0 EHABMO Cc1ccc(C[N@@H+]2CCc3c(COCC4CC4)cncc3C2)s1 ZINC000096059304 563978851 /nfs/dbraw/zinc/97/88/51/563978851.db2.gz YATZAWVOJHDCKV-UHFFFAOYSA-N 1 1 328.481 3.936 40 0 EHABMO Cc1ccc(C[N@H+]2CCc3c(COCC4CC4)cncc3C2)s1 ZINC000096059304 563978852 /nfs/dbraw/zinc/97/88/52/563978852.db2.gz YATZAWVOJHDCKV-UHFFFAOYSA-N 1 1 328.481 3.936 40 0 EHABMO COC[C@H]1C[N@H+](Cc2ccsc2)Cc2cn(CC3CCCC3)nc21 ZINC000096059987 563978892 /nfs/dbraw/zinc/97/88/92/563978892.db2.gz IMRRISINSZSPRX-GOSISDBHSA-N 1 1 345.512 3.881 40 0 EHABMO COC[C@H]1C[N@@H+](Cc2ccsc2)Cc2cn(CC3CCCC3)nc21 ZINC000096059987 563978893 /nfs/dbraw/zinc/97/88/93/563978893.db2.gz IMRRISINSZSPRX-GOSISDBHSA-N 1 1 345.512 3.881 40 0 EHABMO Cc1cc(C[N@H+]2CC[C@@H](OCC3CC3)[C@@H](Cc3ccccc3)C2)no1 ZINC000096110299 563979295 /nfs/dbraw/zinc/97/92/95/563979295.db2.gz AUDORJIJZTXRJL-PZJWPPBQSA-N 1 1 340.467 3.843 40 0 EHABMO CO[C@@H]1CC[N@@H+](Cc2c(C)noc2C)C[C@@H]1Cc1cccc(C)c1 ZINC000096207747 563980164 /nfs/dbraw/zinc/98/01/64/563980164.db2.gz BTBSQZFTSFUYKR-AZUAARDMSA-N 1 1 328.456 3.679 40 0 EHABMO Cc1noc(C)c1CN1CCC[C@@]2(CC[N@@H+](CC3CCCC3)C2)C1 ZINC000096216071 563980275 /nfs/dbraw/zinc/98/02/75/563980275.db2.gz NCPUFAQCGDFCJV-HXUWFJFHSA-N 1 1 331.504 3.770 40 0 EHABMO c1ccc(OCCN2CCC[C@]3(CC[N@@H+](CC4CCC4)C3)C2)cc1 ZINC000096216436 563980325 /nfs/dbraw/zinc/98/03/25/563980325.db2.gz KPRFKUWSNQBREA-NRFANRHFSA-N 1 1 328.500 3.653 40 0 EHABMO O=C(NC1CC(F)(F)C1)[C@H]1CCC[C@@]12CC[N@@H+](CC1CCCC1)C2 ZINC000108527126 563984318 /nfs/dbraw/zinc/98/43/18/563984318.db2.gz GYKSRAGTFGLAPU-AEFFLSMTSA-N 1 1 340.458 3.583 40 0 EHABMO Cc1nc(N2CCOCC2)ccc1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072219615 563985802 /nfs/dbraw/zinc/98/58/02/563985802.db2.gz GHFLHNDZNPBCJE-HXUWFJFHSA-N 1 1 337.467 3.564 40 0 EHABMO [NH3+][C@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1F ZINC000072227816 563986013 /nfs/dbraw/zinc/98/60/13/563986013.db2.gz QGDUEHXXYMQXNL-ZIAGYGMSSA-N 1 1 325.170 3.548 40 0 EHABMO COc1ccc([C@H]2CCC[N@H+]2C[C@@H](O)c2cccs2)c(OC)c1 ZINC000019552146 564025217 /nfs/dbraw/zinc/02/52/17/564025217.db2.gz WSSSDVNRQADDTO-HZPDHXFCSA-N 1 1 333.453 3.636 40 0 EHABMO C[NH+]1CCN(C(=O)c2ccc(CSCc3ccccc3)cc2)CC1 ZINC000020239009 564025826 /nfs/dbraw/zinc/02/58/26/564025826.db2.gz OTGMAVMWFODRMR-UHFFFAOYSA-N 1 1 340.492 3.508 40 0 EHABMO CC(C)(C)NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225573901 564047926 /nfs/dbraw/zinc/04/79/26/564047926.db2.gz XOLKEKVLRCMZGU-UHFFFAOYSA-N 1 1 326.843 3.606 40 0 EHABMO CCC[C@@H](C)NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225580500 564047979 /nfs/dbraw/zinc/04/79/79/564047979.db2.gz VKSNQUGAKQSVAY-CYBMUJFWSA-N 1 1 340.870 3.996 40 0 EHABMO Cc1ncc(-c2ccc(C[C@@H]3CCC[N@H+](CC(C)C)C3)cn2)n1C ZINC000257285341 564054764 /nfs/dbraw/zinc/05/47/64/564054764.db2.gz PGRHOEQCRUMWFD-SFHVURJKSA-N 1 1 326.488 3.701 40 0 EHABMO CC(C)Nc1nc(N2CCc3ccc(Br)cc3C2)cc[nH+]1 ZINC000328987682 564071290 /nfs/dbraw/zinc/07/12/90/564071290.db2.gz IDYVEYPDWSEDGV-UHFFFAOYSA-N 1 1 347.260 3.622 40 0 EHABMO CC(C)(C)c1ccccc1OC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000006364112 564112319 /nfs/dbraw/zinc/11/23/19/564112319.db2.gz HSGATDKPAYOOJN-LJQANCHMSA-N 1 1 339.479 3.782 40 0 EHABMO O[C@H](C[N@H+]1CCC[C@@H](COc2ccc(F)cc2)C1)c1cccs1 ZINC000019342972 564127969 /nfs/dbraw/zinc/12/79/69/564127969.db2.gz YEDVRDIEBWBOLX-RHSMWYFYSA-N 1 1 335.444 3.712 40 0 EHABMO O[C@@H](C[N@H+]1CCC[C@@H](COc2ccc(F)cc2)C1)c1cccs1 ZINC000019342969 564127991 /nfs/dbraw/zinc/12/79/91/564127991.db2.gz YEDVRDIEBWBOLX-PBHICJAKSA-N 1 1 335.444 3.712 40 0 EHABMO Fc1ccc2[nH]c(CO[C@H]3C[N@@H+](C4CCCCC4)C[C@H]3F)nc2c1 ZINC000096112220 564145359 /nfs/dbraw/zinc/14/53/59/564145359.db2.gz QXTNCWJOXSYFIU-PBHICJAKSA-N 1 1 335.398 3.574 40 0 biogenic,in-vitro EHABMO Fc1ccc2nc(CO[C@H]3C[N@H+](C4CCCCC4)C[C@H]3F)[nH]c2c1 ZINC000096112220 564145360 /nfs/dbraw/zinc/14/53/60/564145360.db2.gz QXTNCWJOXSYFIU-PBHICJAKSA-N 1 1 335.398 3.574 40 0 biogenic,in-vitro EHABMO Fc1ccc2nc(CO[C@H]3C[N@@H+](C4CCCCC4)C[C@H]3F)[nH]c2c1 ZINC000096112220 564145361 /nfs/dbraw/zinc/14/53/61/564145361.db2.gz QXTNCWJOXSYFIU-PBHICJAKSA-N 1 1 335.398 3.574 40 0 biogenic,in-vitro EHABMO C[C@@H]1C[N@@H+](CCCc2ccc(COc3ccccc3)cc2)CCO1 ZINC000038424827 213209083 /nfs/dbraw/zinc/20/90/83/213209083.db2.gz YTWUUTYVTCWBOS-GOSISDBHSA-N 1 1 325.452 3.919 40 0 EHABMO CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000037530346 213154361 /nfs/dbraw/zinc/15/43/61/213154361.db2.gz PSKUZPOGYZMETL-VTYCOLDWSA-N 1 1 325.537 3.803 40 0 EHABMO O=C(c1ccccc1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000036055840 213057680 /nfs/dbraw/zinc/05/76/80/213057680.db2.gz ONAFYSXUZBYFOI-DOIPELPJSA-N 1 1 336.479 3.722 40 0 EHABMO c1cnc(Nc2nccc([C@@H]3CCC[N@@H+]3CC3CCCCC3)n2)cn1 ZINC000072377844 216179119 /nfs/dbraw/zinc/17/91/19/216179119.db2.gz TXILFNLYSNFMCW-KRWDZBQOSA-N 1 1 338.459 3.727 40 0 EHABMO Fc1ccccc1Oc1cncc([C@H]2CCC[N@H+]2C2CCOCC2)n1 ZINC000072384257 216185486 /nfs/dbraw/zinc/18/54/86/216185486.db2.gz CCXLQJJRTGPSFC-QGZVFWFLSA-N 1 1 343.402 3.724 40 0 EHABMO Cc1ncc(-c2ccc(C[C@H]3CCC[N@H+](C4CCCC4)C3)cn2)n1C ZINC000257221219 244185315 /nfs/dbraw/zinc/18/53/15/244185315.db2.gz DOALMOLRFDPNKY-GOSISDBHSA-N 1 1 338.499 3.988 40 0 EHABMO Cc1cccc(C[N@H+]2CCC[C@@H]2c2ccnc(Nc3ncccn3)c2)n1 ZINC000257239239 244239030 /nfs/dbraw/zinc/23/90/30/244239030.db2.gz HOOGPERZHBUJHT-GOSISDBHSA-N 1 1 346.438 3.656 40 0 EHABMO CC(C)n1cc(-c2cncc(C[C@@H]3CCC[N@H+](C(C)C)C3)n2)cn1 ZINC000257271560 244380087 /nfs/dbraw/zinc/38/00/87/244380087.db2.gz MYUWHSKJMPWJGQ-INIZCTEOSA-N 1 1 327.476 3.584 40 0 EHABMO Cc1nc([C@H](Cc2ccsc2)[NH2+]Cc2cnc(C)nc2)sc1C ZINC000019559943 212042084 /nfs/dbraw/zinc/04/20/84/212042084.db2.gz GDCXTXMLCVJTHR-INIZCTEOSA-N 1 1 344.509 3.993 40 0 EHABMO CCCNC(=O)c1cc([C@H]2CCC[N@@H+](CC3CCCCC3)C2)no1 ZINC000019503660 212035140 /nfs/dbraw/zinc/03/51/40/212035140.db2.gz QXJJQDGTYMUGDP-INIZCTEOSA-N 1 1 333.476 3.574 40 0 EHABMO O=C(C1CCCC1)N1C[C@@H]2CCCC[N@H+](Cc3cccc(F)c3)[C@@H]2C1 ZINC000019293850 212012659 /nfs/dbraw/zinc/01/26/59/212012659.db2.gz FCEVECHKLRWBCO-AZUAARDMSA-N 1 1 344.474 3.829 40 0 EHABMO Cc1ccc(CN(C[C@H]2CCOC2)C2CC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC000019216420 212005602 /nfs/dbraw/zinc/00/56/02/212005602.db2.gz REURJAQMFZDVHW-MRXNPFEDSA-N 1 1 334.504 3.736 40 0 EHABMO FC(F)c1cc([C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2c2ccccc2)[nH]n1 ZINC000012129152 211300545 /nfs/dbraw/zinc/30/05/45/211300545.db2.gz WAMANDOOFHKRSW-CWRNSKLLSA-N 1 1 347.409 3.567 40 0 EHABMO C[C@@H]1C[C@@]2(C)Oc3ccccc3C[C@H]2[C@H](C)[C@@H]1C[NH2+]CCCN(C)C ZINC000005028770 210367598 /nfs/dbraw/zinc/36/75/98/210367598.db2.gz LNUAAHAFERZTED-AABFTTDASA-N 1 1 344.543 3.830 40 0 EHABMO Cc1[nH+]c(N)ccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072218591 257687400 /nfs/dbraw/zinc/68/74/00/257687400.db2.gz BSFZZDBLWZPNMS-QGZVFWFLSA-N 1 1 325.412 3.836 40 0 EHABMO CCCOc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1 ZINC000030756097 563910580 /nfs/dbraw/zinc/91/05/80/563910580.db2.gz DRCADHTZAJLSNK-UHFFFAOYSA-N 1 1 349.434 3.900 40 0 EHABMO CC[C@@H](C)[N@H+]1CCC[C@@]2(CCC(=O)N2Cc2csc(C)n2)CC1 ZINC000585100793 563971489 /nfs/dbraw/zinc/97/14/89/563971489.db2.gz WSFJDOUUTOEEBZ-RDTXWAMCSA-N 1 1 335.517 3.597 40 0 EHABMO C[N@@H+](Cc1ccco1)[C@H]1CCC12CCN(C(=O)c1cccs1)CC2 ZINC000096051595 563978670 /nfs/dbraw/zinc/97/86/70/563978670.db2.gz LJQCLSCYKBBEBX-KRWDZBQOSA-N 1 1 344.480 3.858 40 0 EHABMO c1csc(C[N@@H+]2CC[C@@]3(C2)COCCN(Cc2ccsc2)C3)c1 ZINC000096062393 563979015 /nfs/dbraw/zinc/97/90/15/563979015.db2.gz GVZVYQXXWZSODW-SFHVURJKSA-N 1 1 348.537 3.534 40 0 EHABMO Cc1cccc(CN2CCC[C@@]3(CC[N@@H+](Cc4cccs4)C3)C2)n1 ZINC000096216117 563980318 /nfs/dbraw/zinc/98/03/18/563980318.db2.gz VGHPKEVRNQQYEI-HXUWFJFHSA-N 1 1 341.524 3.940 40 0 EHABMO CCc1ccc([C@H]2[C@@H]([NH3+])C(=O)N2c2ccc(Cl)c(Cl)c2)cc1 ZINC000072227821 563986016 /nfs/dbraw/zinc/98/60/16/563986016.db2.gz PYTVKHOJNPMDIL-CVEARBPZSA-N 1 1 335.234 3.971 40 0 EHABMO O[C@H](C[N@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1)c1cccs1 ZINC000019375790 564023511 /nfs/dbraw/zinc/02/35/11/564023511.db2.gz PQTUVGLKKFMAKS-CZUORRHYSA-N 1 1 327.453 3.537 40 0 EHABMO C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000044933967 564024723 /nfs/dbraw/zinc/02/47/23/564024723.db2.gz ZIFSAIJUTHULLT-LPHOPBHVSA-N 1 1 340.442 3.915 40 0 EHABMO COc1ccc(-c2nnc([C@H]3CC[N@H+](C4CCCCC4)C3)o2)cc1 ZINC000049170103 564032649 /nfs/dbraw/zinc/03/26/49/564032649.db2.gz VIRKWAJKGNENGZ-HNNXBMFYSA-N 1 1 327.428 3.867 40 0 biogenic,in-vitro EHABMO CC(C)[C@H]1C[N@H+](Cc2ccco2)CCN1C(=O)Nc1ccc(F)cc1 ZINC000057729369 564035138 /nfs/dbraw/zinc/03/51/38/564035138.db2.gz LTHIUPMHZGCMRP-GOSISDBHSA-N 1 1 345.418 3.793 40 0 EHABMO CC(C)[C@H]1C[N@@H+](Cc2ccco2)CCN1C(=O)Nc1ccc(F)cc1 ZINC000057729369 564035139 /nfs/dbraw/zinc/03/51/39/564035139.db2.gz LTHIUPMHZGCMRP-GOSISDBHSA-N 1 1 345.418 3.793 40 0 EHABMO CCc1ccc(CC(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1 ZINC000222624040 564037216 /nfs/dbraw/zinc/03/72/16/564037216.db2.gz LLCPJOHSJQJDHM-UHFFFAOYSA-N 1 1 333.435 3.602 40 0 EHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=S)Nc1cccc(F)c1 ZINC000225449862 564046880 /nfs/dbraw/zinc/04/68/80/564046880.db2.gz AKQCHGOKLLWWFH-UHFFFAOYSA-N 1 1 340.427 3.806 40 0 EHABMO C[C@@H]1CCC[N@@H+](CCCOc2ccc(NC(=O)C(F)(F)F)cc2)C1 ZINC000225587261 564048031 /nfs/dbraw/zinc/04/80/31/564048031.db2.gz JOFNPZKRMNGYKC-CYBMUJFWSA-N 1 1 344.377 3.688 40 0 EHABMO CC[C@@](C)(OC)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260812439 564052624 /nfs/dbraw/zinc/05/26/24/564052624.db2.gz BNOLJANVSRFANS-OXQOHEQNSA-N 1 1 348.487 3.693 40 0 EHABMO CC(C)[N@H+]1CCC[C@H]2O[C@H]3c4cccc(O)c4OC(C)(C)[C@@H]3C[C@H]21 ZINC000257321680 564055401 /nfs/dbraw/zinc/05/54/01/564055401.db2.gz WCSKEOVLEHLCPW-AHCXZYCDSA-N 1 1 331.456 3.882 40 0 EHABMO Fc1cccc(C[N@@H+]2C[C@@H]3Cc4ncc(-c5ccccc5)n4C[C@@H]3C2)c1 ZINC000306129805 564062149 /nfs/dbraw/zinc/06/21/49/564062149.db2.gz INLOTNQKIDUMJG-OALUTQOASA-N 1 1 347.437 3.994 40 0 EHABMO Cc1ccc(C[N@@H+]2C[C@@H]3c4ncc(-c5cccnc5)n4C[C@@H]3C2)s1 ZINC000306143341 564062370 /nfs/dbraw/zinc/06/23/70/564062370.db2.gz XZQWBHARQRYLHK-RDJZCZTQSA-N 1 1 336.464 3.544 40 0 EHABMO COc1ccc2c(c1)CCN(c1cc[nH+]c(NCc3ccccc3)n1)C2 ZINC000328965590 564071031 /nfs/dbraw/zinc/07/10/31/564071031.db2.gz CEJINRDITIZSKM-UHFFFAOYSA-N 1 1 346.434 3.660 40 0 EHABMO CC[C@H](C)Nc1nc(N2Cc3ccccc3C[C@H]2C)cc(C2CC2)[nH+]1 ZINC000328982159 564071201 /nfs/dbraw/zinc/07/12/01/564071201.db2.gz GYESPJGCSYDXLA-LSDHHAIUSA-N 1 1 336.483 3.938 40 0 EHABMO CCC[N@@H+](C(c1ccccc1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000575421432 564079118 /nfs/dbraw/zinc/07/91/18/564079118.db2.gz QMBXGZRJGZWCJU-LJQANCHMSA-N 1 1 343.492 3.675 40 0 EHABMO CC(C)c1ccc(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000006365141 564112336 /nfs/dbraw/zinc/11/23/36/564112336.db2.gz ZEFIOGRPHXWQOO-FQEVSTJZSA-N 1 1 325.452 3.608 40 0 EHABMO C[C@H]1C[N@@H+](C)CC[C@H]1CCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000253602793 564124705 /nfs/dbraw/zinc/12/47/05/564124705.db2.gz RVWHIDJMYMUWOP-FUHWJXTLSA-N 1 1 337.467 3.854 40 0 EHABMO O=C1[C@@H]2C[C@@H](C[N@H+]2C2CCC2)Oc2ccccc2N1Cc1ccccc1 ZINC000096111778 564145375 /nfs/dbraw/zinc/14/53/75/564145375.db2.gz VEQNBNZYGHRHIA-ICSRJNTNSA-N 1 1 348.446 3.608 40 0 biogenic,in-vitro EHABMO COC(=O)c1cccc2nc([C@H]3CC[N@@H+](Cc4ccccc4)C3)oc21 ZINC000035446927 213028481 /nfs/dbraw/zinc/02/84/81/213028481.db2.gz OBODXGAIDPOGJF-HNNXBMFYSA-N 1 1 336.391 3.604 40 0 biogenic,in-vitro EHABMO CN(C)c1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccccc3)n2)cn1 ZINC000035426219 213027268 /nfs/dbraw/zinc/02/72/68/213027268.db2.gz PYWGBVCSGANDCM-KRWDZBQOSA-N 1 1 349.438 3.535 40 0 biogenic,in-vitro EHABMO CN(C)c1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccccc3)n2)cn1 ZINC000035426219 213027272 /nfs/dbraw/zinc/02/72/72/213027272.db2.gz PYWGBVCSGANDCM-KRWDZBQOSA-N 1 1 349.438 3.535 40 0 biogenic,in-vitro EHABMO S=C(Nc1ccccc1Cl)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000035312302 213018980 /nfs/dbraw/zinc/01/89/80/213018980.db2.gz QHMVKEDTZRBVLY-QXMXGUDHSA-N 1 1 335.904 3.784 40 0 EHABMO CCc1nccn1-c1cccc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)n1 ZINC000072379055 216180200 /nfs/dbraw/zinc/18/02/00/216180200.db2.gz FUNHMMIKCLFQRS-QGZVFWFLSA-N 1 1 347.466 3.604 40 0 EHABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=S)Nc2ccc(Cl)cc2)C1 ZINC000225726779 242005904 /nfs/dbraw/zinc/00/59/04/242005904.db2.gz ZTLCLIFAWUDICC-OKILXGFUSA-N 1 1 339.936 3.994 40 0 EHABMO c1csc(C[N@@H+]2Cc3cccn3[C@@H](COCc3ccccn3)C2)c1 ZINC000253588759 244025005 /nfs/dbraw/zinc/02/50/05/244025005.db2.gz RCXVPVTWBGVGPL-GOSISDBHSA-N 1 1 339.464 3.718 40 0 EHABMO c1csc(C[N@H+]2Cc3cccn3[C@@H](COCc3ccccn3)C2)c1 ZINC000253588759 244025015 /nfs/dbraw/zinc/02/50/15/244025015.db2.gz RCXVPVTWBGVGPL-GOSISDBHSA-N 1 1 339.464 3.718 40 0 EHABMO CCc1ncc(CN(Cc2cccs2)C[C@@H]2CCC[N@@H+]2CC)cn1 ZINC000019523294 212036809 /nfs/dbraw/zinc/03/68/09/212036809.db2.gz JIKSFYIPJOYICO-KRWDZBQOSA-N 1 1 344.528 3.587 40 0 EHABMO Cc1c(C[N@@H+](C)CCOc2ccccc2)cnn1Cc1ccccc1 ZINC000012188746 211316034 /nfs/dbraw/zinc/31/60/34/211316034.db2.gz MWOOYZMOEPFUJS-UHFFFAOYSA-N 1 1 335.451 3.751 40 0 EHABMO CCCn1nc(C)c(C[N@H+](Cc2ccc(C)s2)C[C@@H](C)O)c1C ZINC000012185889 211314050 /nfs/dbraw/zinc/31/40/50/211314050.db2.gz JEKJMVRPAOWOAL-CYBMUJFWSA-N 1 1 335.517 3.663 40 0 EHABMO O=c1oc2ccccc2n1[C@H]1CCC[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC000012119159 211298122 /nfs/dbraw/zinc/29/81/22/211298122.db2.gz ITUWCPKZFFHTMT-INIZCTEOSA-N 1 1 347.418 3.913 40 0 EHABMO CCn1cc(C[N@@H+](Cc2ccc(F)cc2)C[C@H]2CCCO2)c(C)n1 ZINC000057811109 563935895 /nfs/dbraw/zinc/93/58/95/563935895.db2.gz IHUAQMBMCIWHQE-LJQANCHMSA-N 1 1 331.435 3.532 40 0 EHABMO CCn1cc(C[N@H+](Cc2ccc(F)cc2)C[C@H]2CCCO2)c(C)n1 ZINC000057811109 563935896 /nfs/dbraw/zinc/93/58/96/563935896.db2.gz IHUAQMBMCIWHQE-LJQANCHMSA-N 1 1 331.435 3.532 40 0 EHABMO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](Cc3cccs3)C[C@@H]12 ZINC000096058443 563978770 /nfs/dbraw/zinc/97/87/70/563978770.db2.gz MCCIKYFKNXEUPM-WOJBJXKFSA-N 1 1 340.492 3.513 40 0 EHABMO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccsc3)C[C@H]12 ZINC000096058450 563978782 /nfs/dbraw/zinc/97/87/82/563978782.db2.gz PFZHTKMXLGYDMR-PMACEKPBSA-N 1 1 340.492 3.513 40 0 EHABMO Cc1nnc([C@@H]2C[C@H]3OCC[C@H]3[N@@H+](Cc3cccc4ccccc43)C2)o1 ZINC000096064975 563978979 /nfs/dbraw/zinc/97/89/79/563978979.db2.gz OPCOMWSSJRYMOR-MISYRCLQSA-N 1 1 349.434 3.678 40 0 EHABMO c1csc(C[N@@H+]2CC[C@H]3OCC[C@@]3(CCNc3ccccn3)C2)c1 ZINC000096206101 563980142 /nfs/dbraw/zinc/98/01/42/563980142.db2.gz XXJCLFAMCWPWMU-MJGOQNOKSA-N 1 1 343.496 3.626 40 0 EHABMO CC[N@@H+](Cc1ccccc1)[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585289577 563982040 /nfs/dbraw/zinc/98/20/40/563982040.db2.gz RTXCXXFLYVKQQN-PWRODBHTSA-N 1 1 325.452 3.870 40 0 EHABMO Cc1ccc(N2C(=O)[C@@H]([NH3+])[C@@H]2c2ccc(C(F)(F)F)cc2)cc1C ZINC000072227879 563986035 /nfs/dbraw/zinc/98/60/35/563986035.db2.gz LCGQAEORBBTNAE-HOTGVXAUSA-N 1 1 334.341 3.737 40 0 EHABMO CCc1ccc(N2C(=O)[C@@H]([NH3+])[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000072228051 563986057 /nfs/dbraw/zinc/98/60/57/563986057.db2.gz JIAPSEXOOIYLGE-HOTGVXAUSA-N 1 1 335.234 3.971 40 0 EHABMO COc1ccc(-c2[nH+]c3cc(C)ccn3c2NC[C@H]2CCCO2)cc1 ZINC000000888789 564001049 /nfs/dbraw/zinc/00/10/49/564001049.db2.gz NLNGPCBMSGHVER-QGZVFWFLSA-N 1 1 337.423 3.909 40 0 EHABMO COc1ccc2ccccc2c1C[N@@H+](CCO)Cc1cccs1 ZINC000013997524 564020888 /nfs/dbraw/zinc/02/08/88/564020888.db2.gz DROTXRVFABKGCD-UHFFFAOYSA-N 1 1 327.449 3.904 40 0 EHABMO COc1ccccc1-c1nnc([C@H]2CC[N@H+](C3CCCCC3)C2)o1 ZINC000049170004 564032624 /nfs/dbraw/zinc/03/26/24/564032624.db2.gz XKGORMYXGSYWGT-AWEZNQCLSA-N 1 1 327.428 3.867 40 0 biogenic,in-vitro EHABMO Cc1nccn1-c1ccc([C@@H](C)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000096484369 564051324 /nfs/dbraw/zinc/05/13/24/564051324.db2.gz KGEIHHUWMJPNNI-FHLIZLRMSA-N 1 1 342.462 3.597 40 0 EHABMO Cc1nccn1-c1ccc([C@@H](C)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1F ZINC000096484369 564051325 /nfs/dbraw/zinc/05/13/25/564051325.db2.gz KGEIHHUWMJPNNI-FHLIZLRMSA-N 1 1 342.462 3.597 40 0 EHABMO c1cc2n(c1)C[C@H](OCc1ccccn1)C[N@@H+](Cc1ccsc1)C2 ZINC000247952530 564052850 /nfs/dbraw/zinc/05/28/50/564052850.db2.gz KVQAJUTXGJBEDN-LJQANCHMSA-N 1 1 339.464 3.546 40 0 EHABMO c1cc2n(c1)C[C@H](OCc1ccccn1)C[N@H+](Cc1ccsc1)C2 ZINC000247952530 564052851 /nfs/dbraw/zinc/05/28/51/564052851.db2.gz KVQAJUTXGJBEDN-LJQANCHMSA-N 1 1 339.464 3.546 40 0 EHABMO Cc1ccccc1CNc1cc(-c2c[nH]nc2[C@H]2CC[N@H+](C)C2)ccn1 ZINC000257289837 564054842 /nfs/dbraw/zinc/05/48/42/564054842.db2.gz QAJZWKZOOYYBFV-SFHVURJKSA-N 1 1 347.466 3.811 40 0 EHABMO COc1cccc(C[N@@H+]2CCCC[C@@H]2c2ccnc(C)n2)c1OC ZINC000257295719 564054918 /nfs/dbraw/zinc/05/49/18/564054918.db2.gz QZPGOJPYKNIGCM-QGZVFWFLSA-N 1 1 327.428 3.529 40 0 EHABMO COc1cccc(C[N@H+]2CCCC[C@@H]2c2ccnc(C)n2)c1OC ZINC000257295719 564054919 /nfs/dbraw/zinc/05/49/19/564054919.db2.gz QZPGOJPYKNIGCM-QGZVFWFLSA-N 1 1 327.428 3.529 40 0 EHABMO c1csc([C@@H]2CCC[N@H+](Cc3cnc(-c4ccccc4)nc3)C2)n1 ZINC000257323055 564055430 /nfs/dbraw/zinc/05/54/30/564055430.db2.gz WIOQDTAZAVEWEJ-QGZVFWFLSA-N 1 1 336.464 3.980 40 0 EHABMO Fc1ccc(C[N@@H+]2C[C@@H]3Cc4ncc(-c5ccccc5)n4C[C@@H]3C2)cc1 ZINC000306129488 564062224 /nfs/dbraw/zinc/06/22/24/564062224.db2.gz IESPOGISSLPVGL-OALUTQOASA-N 1 1 347.437 3.994 40 0 EHABMO Cc1cnc([C@@H](C)[N@H+]2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)o1 ZINC000331876619 1137924046 /nfs/dbraw/zinc/92/40/46/1137924046.db2.gz UQUGFIKIAXMFML-MNOVXSKESA-N 1 1 328.338 3.666 40 0 EHABMO Cc1ccc([C@H](c2nnnn2C2CCCCC2)[NH+]2CCCC2)cc1 ZINC000004190420 210141520 /nfs/dbraw/zinc/14/15/20/210141520.db2.gz KETGJTKGCALCFM-GOSISDBHSA-N 1 1 325.460 3.672 40 0 EHABMO Cc1cc(-c2cnc(C)nc2[C@H]2CCC[N@@H+](Cc3cccnc3)C2)on1 ZINC000072334675 216156378 /nfs/dbraw/zinc/15/63/78/216156378.db2.gz UGOFIKZCMWTORM-KRWDZBQOSA-N 1 1 349.438 3.523 40 0 EHABMO Fc1ccc(-c2nccnc2[C@@H]2CCC[N@H+](C3CCOCC3)C2)cc1 ZINC000072359067 216166037 /nfs/dbraw/zinc/16/60/37/216166037.db2.gz VNZSWVXACYKPOQ-MRXNPFEDSA-N 1 1 341.430 3.641 40 0 EHABMO CC(C)(C)c1[nH]c2ncccc2c1C[N@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000072393643 216193364 /nfs/dbraw/zinc/19/33/64/216193364.db2.gz QVXKEBHZHCZKIR-SZMVWBNQSA-N 1 1 341.499 3.986 40 0 EHABMO Cc1nc(NCc2ccccc2)cc(N2CCc3ccccc3C2)[nH+]1 ZINC000242849623 243023033 /nfs/dbraw/zinc/02/30/33/243023033.db2.gz FYWJYCAADIMEHK-UHFFFAOYSA-N 1 1 330.435 3.960 40 0 EHABMO CC[C@H](Oc1cccc(C)c1)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020492525 212139262 /nfs/dbraw/zinc/13/92/62/212139262.db2.gz XUYKJJGQDOBIFX-NSHGMRRFSA-N 1 1 346.515 3.637 40 0 EHABMO C[N@H+]1C[C@H](c2ccc(F)cc2)[C@@H]2[C@H]1CCCN2C(=O)OC(C)(C)C ZINC000257209788 244146264 /nfs/dbraw/zinc/14/62/64/244146264.db2.gz BRWXABGRZNWULM-BRWVUGGUSA-N 1 1 334.435 3.623 40 0 EHABMO c1cnc(Nc2cncc([C@H]3CCC[N@H+](C4CCCCC4)C3)n2)cn1 ZINC000257259961 244294071 /nfs/dbraw/zinc/29/40/71/244294071.db2.gz LAUDHLIXWFQSNL-HNNXBMFYSA-N 1 1 338.459 3.522 40 0 EHABMO CC(C)n1cc(-c2nccnc2C[C@H]2CCC[N@H+](C(C)C)C2)cn1 ZINC000257258535 244290678 /nfs/dbraw/zinc/29/06/78/244290678.db2.gz KUKQGHHTGCBKPB-MRXNPFEDSA-N 1 1 327.476 3.584 40 0 EHABMO CC(C)n1nccc1-c1nccnc1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000257274351 244389579 /nfs/dbraw/zinc/38/95/79/244389579.db2.gz NKQHRESLAIGDDL-MRXNPFEDSA-N 1 1 327.476 3.584 40 0 EHABMO C[NH+]1CCC2(CC1)CN(Cc1ccc(F)cc1)Cc1ccccc1O2 ZINC000019588420 212049191 /nfs/dbraw/zinc/04/91/91/212049191.db2.gz WKWOFAOLXRFOAT-UHFFFAOYSA-N 1 1 340.442 3.685 40 0 EHABMO O[C@@H](c1ccccc1)[C@@H]([NH2+]CCNCc1ccccc1)c1ccccc1 ZINC000019366031 212023066 /nfs/dbraw/zinc/02/30/66/212023066.db2.gz SGOMBIGJIMEQGI-GOTSBHOMSA-N 1 1 346.474 3.841 40 0 EHABMO CN(C)c1ncc(C[NH2+]C2(c3ccc(Cl)cc3Cl)CC2)cn1 ZINC000012361941 211355591 /nfs/dbraw/zinc/35/55/91/211355591.db2.gz YCIOCZRUGMRJLT-UHFFFAOYSA-N 1 1 337.254 3.628 40 0 EHABMO CCCn1nc(C)c(C[N@H+](Cc2sccc2C)C[C@H](C)O)c1C ZINC000012185501 211314020 /nfs/dbraw/zinc/31/40/20/211314020.db2.gz AZLKHSHJXSNGJT-AWEZNQCLSA-N 1 1 335.517 3.663 40 0 EHABMO O=c1oc2ccccc2n1[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000012119064 211297823 /nfs/dbraw/zinc/29/78/23/211297823.db2.gz QQJYQLGKUMPRBS-INIZCTEOSA-N 1 1 326.371 3.571 40 0 EHABMO O=C(OCc1ccccc1C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000031948018 563913255 /nfs/dbraw/zinc/91/32/55/563913255.db2.gz WQRJZZWXGLKRLY-UHFFFAOYSA-N 1 1 345.826 3.529 40 0 EHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)/C=C/c1ccc(C)cc1 ZINC000044902107 563927810 /nfs/dbraw/zinc/92/78/10/563927810.db2.gz MVFARSUXIMPEJH-VAWYXSNFSA-N 1 1 331.419 3.819 40 0 EHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CSc1ccccc1 ZINC000044902199 563927946 /nfs/dbraw/zinc/92/79/46/563927946.db2.gz GAVUPKINQTZZCF-UHFFFAOYSA-N 1 1 337.448 3.589 40 0 EHABMO CCCC[N@H+]1CCC[C@@]2(CCC(=O)N2Cc2ccc(F)cc2)CC1 ZINC000585100461 563971344 /nfs/dbraw/zinc/97/13/44/563971344.db2.gz KYDVTQQWWABNJO-HXUWFJFHSA-N 1 1 332.463 3.973 40 0 EHABMO OCC[N@@H+](Cc1ccccc1)[C@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000095935037 563977800 /nfs/dbraw/zinc/97/78/00/563977800.db2.gz VLOIRQINEHZGIT-DHIUTWEWSA-N 1 1 347.458 3.956 40 0 EHABMO c1sc([C@H]2C[C@@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3O2)nc1C1CC1 ZINC000096046095 563977969 /nfs/dbraw/zinc/97/79/69/563977969.db2.gz OXDCYGORBFTKIJ-BMGDILEWSA-N 1 1 341.480 3.768 40 0 EHABMO c1sc([C@H]2C[C@@H]3CC[N@H+](Cc4ccccn4)C[C@H]3O2)nc1C1CC1 ZINC000096046095 563977970 /nfs/dbraw/zinc/97/79/70/563977970.db2.gz OXDCYGORBFTKIJ-BMGDILEWSA-N 1 1 341.480 3.768 40 0 EHABMO CC[C@H]1[N@@H+](CC2CCC2)CCC[C@]12CCC(=O)N2Cc1ccncc1 ZINC000096045699 563977972 /nfs/dbraw/zinc/97/79/72/563977972.db2.gz BRBLGJOTFCQFSV-CTNGQTDRSA-N 1 1 341.499 3.617 40 0 EHABMO Cc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(C(=O)c2cccs2)C3)o1 ZINC000096047016 563978188 /nfs/dbraw/zinc/97/81/88/563978188.db2.gz YUABDOATDQDXNZ-IBGZPJMESA-N 1 1 344.480 3.778 40 0 EHABMO COc1ccc(N[C@@H]2CO[C@@]3(CC[N@@H+](Cc4ccsc4)C3)C2)cc1 ZINC000096047613 563978243 /nfs/dbraw/zinc/97/82/43/563978243.db2.gz YKCPKELHLDNUBK-HKUYNNGSSA-N 1 1 344.480 3.602 40 0 EHABMO Cc1ccc(C[N@H+]2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)o1 ZINC000096048741 563978347 /nfs/dbraw/zinc/97/83/47/563978347.db2.gz XNHXNTWOQSQUFA-GOSISDBHSA-N 1 1 330.453 3.669 40 0 EHABMO Cc1ccc(C[N@H+]2CCC(F)(F)[C@@]3(CCN(c4cccnc4)C3)C2)o1 ZINC000096051130 563978617 /nfs/dbraw/zinc/97/86/17/563978617.db2.gz NHGCNILBAFZGAW-SFHVURJKSA-N 1 1 347.409 3.721 40 0 EHABMO c1csc(CN2CCOC[C@@]3(CC[N@@H+](Cc4cccs4)C3)C2)c1 ZINC000096062390 563978943 /nfs/dbraw/zinc/97/89/43/563978943.db2.gz FSLGEILHWVDBLD-GOSISDBHSA-N 1 1 348.537 3.534 40 0 EHABMO CC(C)C[N@H+]1CCC[C@@]12CCCN(C(=O)Cc1ccc(Cl)cc1)C2 ZINC000096071318 563979027 /nfs/dbraw/zinc/97/90/27/563979027.db2.gz WDRHNRTVBVHALT-HXUWFJFHSA-N 1 1 348.918 3.996 40 0 EHABMO CCCCC(=O)N[C@H]1CC2(CC[NH+](CCF)CC2)Oc2ccccc21 ZINC000096242746 563980578 /nfs/dbraw/zinc/98/05/78/563980578.db2.gz WNGFLMPNPZTDNG-KRWDZBQOSA-N 1 1 348.462 3.621 40 0 EHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H](C)Oc1ccccc1C ZINC000260458037 563999938 /nfs/dbraw/zinc/99/99/38/563999938.db2.gz NPPOLHNDRSKGOR-ROUUACIJSA-N 1 1 332.488 3.533 40 0 EHABMO O=C1CCCC[C@@H]2[C@H](CC[N@H+]2Cc2cccc(Cl)c2Cl)N1 ZINC000019713253 564023821 /nfs/dbraw/zinc/02/38/21/564023821.db2.gz RMRHDTSJEWRGRJ-UONOGXRCSA-N 1 1 327.255 3.627 40 0 EHABMO O=C1CCCC[C@@H]2[C@H](CC[N@@H+]2Cc2cccc(Cl)c2Cl)N1 ZINC000019713253 564023822 /nfs/dbraw/zinc/02/38/22/564023822.db2.gz RMRHDTSJEWRGRJ-UONOGXRCSA-N 1 1 327.255 3.627 40 0 EHABMO CC(C)(C)C[N@H+]1CC[C@H](c2nnc(Cc3c[nH]c4ccccc34)o2)C1 ZINC000049169769 564032618 /nfs/dbraw/zinc/03/26/18/564032618.db2.gz RFMMQCCFFZBBTD-AWEZNQCLSA-N 1 1 338.455 3.977 40 0 biogenic,in-vitro EHABMO Cn1cc(-c2ccc([C@@H]3CCCC[N@H+]3Cc3cccnc3)cn2)cn1 ZINC000257297566 564054978 /nfs/dbraw/zinc/05/49/78/564054978.db2.gz RHVMCEABPINEJQ-FQEVSTJZSA-N 1 1 333.439 3.604 40 0 EHABMO COc1ccc2c(c1)CCN(c1cc(NC3CC3)nc(C(C)C)[nH+]1)C2 ZINC000328990310 564071288 /nfs/dbraw/zinc/07/12/88/564071288.db2.gz IMUJURBTOKBTEO-UHFFFAOYSA-N 1 1 338.455 3.746 40 0 EHABMO COc1ccccc1C[N@@H+](CCCn1ccnc1)Cc1ccccc1 ZINC000013991303 564087301 /nfs/dbraw/zinc/08/73/01/564087301.db2.gz ZGCUASCGQUIHHW-UHFFFAOYSA-N 1 1 335.451 3.984 40 0 EHABMO CCC(=O)N1CCC2(CC1)C[C@@H]([N@H+](C)CC)C[C@@H](c1ccccc1)O2 ZINC000019712757 564128131 /nfs/dbraw/zinc/12/81/31/564128131.db2.gz PJTSPRUQTICLSS-OALUTQOASA-N 1 1 344.499 3.630 40 0 EHABMO CN(C)C[C@H](CN1c2ccccc2Sc2ccccc21)[NH+](C)C ZINC000022442730 564177329 /nfs/dbraw/zinc/17/73/29/564177329.db2.gz YZQNFFLGIYEXMM-OAHLLOKOSA-N 1 1 327.497 3.781 40 0 in-man EHABMO CCC[NH+](CCC)CN1C(=O)S/C(=C/c2ccc(OC)cc2)C1=O ZINC000033908409 568415102 /nfs/dbraw/zinc/41/51/02/568415102.db2.gz OCPUJEFUDSOZDE-FOWTUZBSSA-N 1 1 348.468 3.811 40 0 EHABMO COc1ccc(-c2noc([C@@H]3CCC[N@H+]3C3CCCCC3)n2)cn1 ZINC000035425833 213027664 /nfs/dbraw/zinc/02/76/64/213027664.db2.gz BWKXHSCYGXDJOS-HNNXBMFYSA-N 1 1 328.416 3.610 40 0 biogenic,in-vitro EHABMO Cc1ccc(C)c(NC(=S)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000035312298 213019506 /nfs/dbraw/zinc/01/95/06/213019506.db2.gz LLVYYRIKBWLJJV-ZXFUBFMLSA-N 1 1 329.513 3.748 40 0 EHABMO COc1ccccc1-c1[nH+]c2ccc(C)cn2c1NC[C@H]1CCCO1 ZINC000035311868 213020229 /nfs/dbraw/zinc/02/02/29/213020229.db2.gz HRNQNDPCHOPPEF-OAHLLOKOSA-N 1 1 337.423 3.909 40 0 EHABMO Cc1nc(Nc2cnccn2)cc([C@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000072360100 216165547 /nfs/dbraw/zinc/16/55/47/216165547.db2.gz LGNWNDSUUNXSDA-GOSISDBHSA-N 1 1 346.438 3.656 40 0 EHABMO CCc1nccn1-c1cncc([C@H]2CCC[N@H+](C3CCCCC3)C2)n1 ZINC000072355520 216164281 /nfs/dbraw/zinc/16/42/81/216164281.db2.gz FVJXJYMQQPZIKP-INIZCTEOSA-N 1 1 339.487 3.737 40 0 EHABMO c1cn(-c2cccc([C@@H]3CCC[N@H+](CCOc4ccccc4)C3)n2)cn1 ZINC000072378783 216180307 /nfs/dbraw/zinc/18/03/07/216180307.db2.gz YIDUCVLPKQMEND-GOSISDBHSA-N 1 1 348.450 3.526 40 0 EHABMO Cc1ccc(C[N@H+]2CCC[C@H](c3nnc(-c4ccccn4)o3)C2)cc1 ZINC000072390029 216190264 /nfs/dbraw/zinc/19/02/64/216190264.db2.gz YEHCDLPYLUEPRN-KRWDZBQOSA-N 1 1 334.423 3.820 40 0 EHABMO c1csc(C[N@H+]2Cc3cccn3C[C@H](OCc3cccnc3)C2)c1 ZINC000253588937 244027525 /nfs/dbraw/zinc/02/75/25/244027525.db2.gz ZUVQODQCDPGDIK-GOSISDBHSA-N 1 1 339.464 3.546 40 0 EHABMO c1csc(C[N@@H+]2Cc3cccn3C[C@H](OCc3cccnc3)C2)c1 ZINC000253588937 244027533 /nfs/dbraw/zinc/02/75/33/244027533.db2.gz ZUVQODQCDPGDIK-GOSISDBHSA-N 1 1 339.464 3.546 40 0 EHABMO c1csc(C[N@@H+]2Cc3cccn3[C@H](COCc3ccncc3)C2)c1 ZINC000253588944 244027778 /nfs/dbraw/zinc/02/77/78/244027778.db2.gz ZYLANXBROMGOCG-SFHVURJKSA-N 1 1 339.464 3.718 40 0 EHABMO c1csc(C[N@H+]2Cc3cccn3[C@H](COCc3ccncc3)C2)c1 ZINC000253588944 244027784 /nfs/dbraw/zinc/02/77/84/244027784.db2.gz ZYLANXBROMGOCG-SFHVURJKSA-N 1 1 339.464 3.718 40 0 EHABMO Cc1c[nH]c(-c2nccnc2[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000257233093 244220863 /nfs/dbraw/zinc/22/08/63/244220863.db2.gz GNTOTNUBQGUNND-KRWDZBQOSA-N 1 1 333.439 3.555 40 0 EHABMO c1cc2c(cccc2C[C@@H]2COCC[N@@H+](Cc3cncs3)C2)o1 ZINC000257235344 244225411 /nfs/dbraw/zinc/22/54/11/244225411.db2.gz GXKMVHXHQXUHNR-AWEZNQCLSA-N 1 1 328.437 3.580 40 0 EHABMO CC(C)n1nccc1-c1nccnc1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000257274350 244389360 /nfs/dbraw/zinc/38/93/60/244389360.db2.gz NKQHRESLAIGDDL-INIZCTEOSA-N 1 1 327.476 3.584 40 0 EHABMO Cc1[nH+]ccn1CCCn1cncc1-c1ccc2c(c1)C[C@H](C)N2C ZINC000019719463 212057329 /nfs/dbraw/zinc/05/73/29/212057329.db2.gz SDOIIZQBBZMWNT-HNNXBMFYSA-N 1 1 335.455 3.526 40 0 EHABMO C[N@@H+](CCc1ccccn1)Cc1c2cccnc2[nH]c1-c1ccco1 ZINC000019586260 212049431 /nfs/dbraw/zinc/04/94/31/212049431.db2.gz KKROWRWBIKVHMR-UHFFFAOYSA-N 1 1 332.407 3.892 40 0 EHABMO CCn1nc(C)c(C[N@H+]2CCC[C@@H](c3cc4cccnc4[nH]3)C2)c1C ZINC000019523828 212038340 /nfs/dbraw/zinc/03/83/40/212038340.db2.gz KPHAJNHLYCUKJS-QGZVFWFLSA-N 1 1 337.471 3.776 40 0 EHABMO COc1cc(C[N@@H+]2CCCCC[C@H]2c2ccn(C)n2)cc(OC)c1 ZINC000019291059 212011517 /nfs/dbraw/zinc/01/15/17/212011517.db2.gz SSEZBMPFUIGEPW-IBGZPJMESA-N 1 1 329.444 3.555 40 0 EHABMO COc1cc(C[N@H+]2CCCCC[C@H]2c2ccn(C)n2)cc(OC)c1 ZINC000019291059 212011519 /nfs/dbraw/zinc/01/15/19/212011519.db2.gz SSEZBMPFUIGEPW-IBGZPJMESA-N 1 1 329.444 3.555 40 0 EHABMO O=C(Nc1ccc(F)cc1F)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C1CC1 ZINC000004882599 210310807 /nfs/dbraw/zinc/31/08/07/210310807.db2.gz MUBISMFWBQSXPH-LQDVMPOASA-N 1 1 335.398 3.634 40 0 EHABMO CC[C@@H](C)c1ccccc1OC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000002694478 563445851 /nfs/dbraw/zinc/44/58/51/563445851.db2.gz WSEOTWCMPKAJSV-YLJYHZDGSA-N 1 1 339.479 3.998 40 0 EHABMO CCn1ncc(C[N@@H+](Cc2ccc(F)cc2)C[C@H]2CCCO2)c1C ZINC000057811095 563935935 /nfs/dbraw/zinc/93/59/35/563935935.db2.gz QBFFPQSLTUDUKV-LJQANCHMSA-N 1 1 331.435 3.532 40 0 EHABMO CCn1ncc(C[N@H+](Cc2ccc(F)cc2)C[C@H]2CCCO2)c1C ZINC000057811095 563935936 /nfs/dbraw/zinc/93/59/36/563935936.db2.gz QBFFPQSLTUDUKV-LJQANCHMSA-N 1 1 331.435 3.532 40 0 EHABMO c1csc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccccn2)C3)c1 ZINC000096046941 563978140 /nfs/dbraw/zinc/97/81/40/563978140.db2.gz OGFPZOMLLGDHGQ-IBGZPJMESA-N 1 1 327.497 3.631 40 0 EHABMO Cc1ccc(C[N@H+]2CC[C@@]3(C[C@H](Nc4cccc(F)c4)CO3)C2)o1 ZINC000096047589 563978256 /nfs/dbraw/zinc/97/82/56/563978256.db2.gz PWISKJJIVVAGDI-PKOBYXMFSA-N 1 1 330.403 3.573 40 0 EHABMO Cc1ccc(C[N@H+]2CC[C@]3(CC(=O)N(c4cccc(F)c4)C3)C2)s1 ZINC000096050721 563978510 /nfs/dbraw/zinc/97/85/10/563978510.db2.gz VSUPQPCWFZIBMZ-IBGZPJMESA-N 1 1 344.455 3.825 40 0 EHABMO C[N@@H+](Cc1ccco1)[C@@H]1CCC[C@H]2CN(C(=O)c3cccs3)C[C@@H]21 ZINC000096054598 563978702 /nfs/dbraw/zinc/97/87/02/563978702.db2.gz NMVMOJUPFNJQDD-BHYGNILZSA-N 1 1 344.480 3.714 40 0 EHABMO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](Cc3ccsc3)C[C@H]12 ZINC000096058449 563978767 /nfs/dbraw/zinc/97/87/67/563978767.db2.gz PFZHTKMXLGYDMR-VQTJNVASSA-N 1 1 340.492 3.513 40 0 EHABMO CCn1cc2c(n1)[C@H](COCC1CC1)C[N@@H+](Cc1ccc(C)s1)C2 ZINC000096059938 563978895 /nfs/dbraw/zinc/97/88/95/563978895.db2.gz PPAIPIRJEJRLOK-KRWDZBQOSA-N 1 1 345.512 3.799 40 0 EHABMO CCn1cc2c(n1)[C@H](COCC1CC1)C[N@H+](Cc1ccc(C)s1)C2 ZINC000096059938 563978896 /nfs/dbraw/zinc/97/88/96/563978896.db2.gz PPAIPIRJEJRLOK-KRWDZBQOSA-N 1 1 345.512 3.799 40 0 EHABMO COc1ccc2c(c1)C1(CCN(Cc3ccsc3)CC1)[N@H+](C)CC2 ZINC000096100210 563979190 /nfs/dbraw/zinc/97/91/90/563979190.db2.gz DKZJJZCFHNSKFJ-UHFFFAOYSA-N 1 1 342.508 3.736 40 0 EHABMO COc1ccc2c(c1)C1(CC[NH+](Cc3ccsc3)CC1)N(C)CC2 ZINC000096100210 563979191 /nfs/dbraw/zinc/97/91/91/563979191.db2.gz DKZJJZCFHNSKFJ-UHFFFAOYSA-N 1 1 342.508 3.736 40 0 EHABMO Cc1noc(C)c1CN1CCC[C@]2(CC[N@@H+](CC3CCCC3)C2)C1 ZINC000096216069 563980353 /nfs/dbraw/zinc/98/03/53/563980353.db2.gz NCPUFAQCGDFCJV-FQEVSTJZSA-N 1 1 331.504 3.770 40 0 EHABMO Cc1ccc(C[N@H+]2CCc3ncnc(-c4ccncc4)c3CC2)s1 ZINC000096255232 563980603 /nfs/dbraw/zinc/98/06/03/563980603.db2.gz NSCMEIWNGFMXDB-UHFFFAOYSA-N 1 1 336.464 3.509 40 0 EHABMO Cc1[nH+]c(N(C)C)ccc1[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072218736 563985635 /nfs/dbraw/zinc/98/56/35/563985635.db2.gz XOEUEZBDQIAHFV-GOSISDBHSA-N 1 1 339.439 3.930 40 0 EHABMO CCC(C)(C)NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225586635 564048034 /nfs/dbraw/zinc/04/80/34/564048034.db2.gz SIKQHLBHQDRTME-UHFFFAOYSA-N 1 1 340.870 3.996 40 0 EHABMO CC[C@](C)(OC)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225602174 564048250 /nfs/dbraw/zinc/04/82/50/564048250.db2.gz KYFUHTDUENTHJV-UZLBHIALSA-N 1 1 348.487 3.551 40 0 EHABMO Cc1ccccc1CNc1cc(-c2c[nH]nc2[C@@H]2CC[N@H+](C)C2)ccn1 ZINC000257289836 564054815 /nfs/dbraw/zinc/05/48/15/564054815.db2.gz QAJZWKZOOYYBFV-GOSISDBHSA-N 1 1 347.466 3.811 40 0 EHABMO Cc1cn(C)c([C@@H]2C[N@H+](Cc3cc4ccccc4s3)CCO2)n1 ZINC000257329341 564055532 /nfs/dbraw/zinc/05/55/32/564055532.db2.gz XJMCGBFRXQXEDE-INIZCTEOSA-N 1 1 327.453 3.517 40 0 EHABMO Cc1cn(C)c([C@@H]2C[N@@H+](Cc3cc4ccccc4s3)CCO2)n1 ZINC000257329341 564055533 /nfs/dbraw/zinc/05/55/33/564055533.db2.gz 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564117187 /nfs/dbraw/zinc/11/71/87/564117187.db2.gz GAALBVKGOPIJBW-UHFFFAOYSA-N 1 1 339.468 3.660 40 0 EHABMO Cc1cccc(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)c1 ZINC000264041174 564124738 /nfs/dbraw/zinc/12/47/38/564124738.db2.gz CDMBNMXMOKUDQV-UHFFFAOYSA-N 1 1 334.463 3.658 40 0 EHABMO c1cncc(-c2ccc3nc([C@H]4CCC[N@H+](C5CCC5)C4)nn3c2)c1 ZINC000306128224 1137871357 /nfs/dbraw/zinc/87/13/57/1137871357.db2.gz GUQZYTHKFKSWFM-KRWDZBQOSA-N 1 1 333.439 3.523 40 0 EHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccc(F)cc2F)cc1 ZINC000038853628 213227643 /nfs/dbraw/zinc/22/76/43/213227643.db2.gz XDZQJBZLWHFLLK-UHFFFAOYSA-N 1 1 327.334 3.770 40 0 EHABMO COCC[N@H+]1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000072358504 216166380 /nfs/dbraw/zinc/16/63/80/216166380.db2.gz YKTYMKDMWOAXBW-OAHLLOKOSA-N 1 1 331.847 3.623 40 0 EHABMO CCc1nccn1-c1cncc([C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000072355453 216164586 /nfs/dbraw/zinc/16/45/86/216164586.db2.gz QUZOKZKHEACNDN-SFHVURJKSA-N 1 1 347.466 3.604 40 0 EHABMO 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COc1cccc(-c2noc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)n2)c1 ZINC000072369851 216178144 /nfs/dbraw/zinc/17/81/44/216178144.db2.gz DBDKADZKTJDEGE-QGZVFWFLSA-N 1 1 335.407 3.735 40 0 EHABMO c1ccc(-c2nnc([C@H]3CCC[N@H+](CC4CCCCC4)C3)o2)nc1 ZINC000072390038 216189180 /nfs/dbraw/zinc/18/91/80/216189180.db2.gz OEOHZFDGGMDNBE-INIZCTEOSA-N 1 1 326.444 3.891 40 0 EHABMO c1ccc(CC[N@H+]2CCC[C@@H](c3nnc(-c4cccnc4)o3)C2)cc1 ZINC000072389976 216189873 /nfs/dbraw/zinc/18/98/73/216189873.db2.gz PNMDMMHNXFPTLT-GOSISDBHSA-N 1 1 334.423 3.554 40 0 EHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)Cc1ccc(Cl)cc1F ZINC000224663863 241771521 /nfs/dbraw/zinc/77/15/21/241771521.db2.gz QTFNLHQBHHVDKL-MRXNPFEDSA-N 1 1 340.870 3.792 40 0 EHABMO CNc1cc([C@@H]2CCC[N@H+]2Cc2cnc(-c3ccccc3)nc2)ccn1 ZINC000257199602 244115369 /nfs/dbraw/zinc/11/53/69/244115369.db2.gz AABSBXXJYLPLBP-IBGZPJMESA-N 1 1 345.450 3.917 40 0 EHABMO Cc1c[nH]c([C@@H]2CCC[N@@H+](Cc3c[nH]nc3-c3cccs3)C2)n1 ZINC000257219671 244177456 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CC(C)c1nc2c(c(N3CCCC3)n1)CC[N@@H+](Cc1ccccc1)C2 ZINC000019453651 212028064 /nfs/dbraw/zinc/02/80/64/212028064.db2.gz JQDPGSRNFFWVNG-UHFFFAOYSA-N 1 1 336.483 3.759 40 0 EHABMO CC[NH+](CC)CCN[C@@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000019365921 212023085 /nfs/dbraw/zinc/02/30/85/212023085.db2.gz LWFOWNOBPVMQDT-NRFANRHFSA-N 1 1 326.484 3.910 40 0 EHABMO O[C@H](c1ccccc1)[C@H]([NH2+]CCNCc1ccccc1)c1ccccc1 ZINC000019366030 212022722 /nfs/dbraw/zinc/02/27/22/212022722.db2.gz SGOMBIGJIMEQGI-DHIUTWEWSA-N 1 1 346.474 3.841 40 0 EHABMO CC(C)c1nccc([C@H]2C[C@@H]3CC[N@@H+](Cc4ccoc4)C[C@H]3O2)n1 ZINC000096046178 218532782 /nfs/dbraw/zinc/53/27/82/218532782.db2.gz JGHPNAHFNSHOMR-CGTJXYLNSA-N 1 1 327.428 3.545 40 0 EHABMO Cc1cc(C)cc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000004882619 210311393 /nfs/dbraw/zinc/31/13/93/210311393.db2.gz AMZPPGBEXVZIEB-JLYLLQBASA-N 1 1 327.472 3.973 40 0 EHABMO C[N@H+]1CC[C@@H](c2n[nH]cc2-c2ccnc(NCc3ccccc3)c2)C1 ZINC000257232943 536459905 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EHABMO CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)c2ccsc2)[C@H]1Cc1ccccc1 ZINC000096061671 563978977 /nfs/dbraw/zinc/97/89/77/563978977.db2.gz JCARUUDRTLGMOA-MOPGFXCFSA-N 1 1 342.508 3.914 40 0 EHABMO Fc1ccc(C[N@H+]2CCCC23CCN(Cc2ccncc2)CC3)cc1 ZINC000096075308 563979030 /nfs/dbraw/zinc/97/90/30/563979030.db2.gz FWNNAOOJSCCSSG-UHFFFAOYSA-N 1 1 339.458 3.851 40 0 EHABMO Cc1cccc(CN2CCC[C@]3(CC[N@@H+](Cc4cccs4)C3)C2)n1 ZINC000096216115 563980290 /nfs/dbraw/zinc/98/02/90/563980290.db2.gz VGHPKEVRNQQYEI-FQEVSTJZSA-N 1 1 341.524 3.940 40 0 EHABMO Cc1ccc(C[N@H+]2CCC[C@]3(CCN(C(=O)NC4CCCC4)C3)C2)o1 ZINC000096215964 563980359 /nfs/dbraw/zinc/98/03/59/563980359.db2.gz RLJPHNAUZADAJE-FQEVSTJZSA-N 1 1 345.487 3.528 40 0 EHABMO Cc1ccc(C[N@H+]2CCc3ncnc(-c4cccnc4)c3CC2)s1 ZINC000096255313 563980643 /nfs/dbraw/zinc/98/06/43/563980643.db2.gz KPEVLHUUWRQLJZ-UHFFFAOYSA-N 1 1 336.464 3.509 40 0 EHABMO Cc1ccc(C[N@H+]2CCC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)s1 ZINC000107730574 563984125 /nfs/dbraw/zinc/98/41/25/563984125.db2.gz DPHIXUKXHVKHPN-IEBWSBKVSA-N 1 1 344.480 3.654 40 0 EHABMO [NH3+][C@@H]1C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1Cl ZINC000072228247 563986048 /nfs/dbraw/zinc/98/60/48/563986048.db2.gz LIACJFRWLOHWLC-GJZGRUSLSA-N 1 1 339.197 3.543 40 0 EHABMO CCc1ccc(N2C(=O)[C@H]([NH3+])[C@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000072228048 563986053 /nfs/dbraw/zinc/98/60/53/563986053.db2.gz CVWPKKNTIVVOON-HZPDHXFCSA-N 1 1 334.341 3.683 40 0 EHABMO Cc1cn(C)c([C@H]2C[N@H+](Cc3cc4ccccc4s3)CCO2)n1 ZINC000257329342 564055551 /nfs/dbraw/zinc/05/55/51/564055551.db2.gz XJMCGBFRXQXEDE-MRXNPFEDSA-N 1 1 327.453 3.517 40 0 EHABMO Cc1cn(C)c([C@H]2C[N@@H+](Cc3cc4ccccc4s3)CCO2)n1 ZINC000257329342 564055552 /nfs/dbraw/zinc/05/55/52/564055552.db2.gz XJMCGBFRXQXEDE-MRXNPFEDSA-N 1 1 327.453 3.517 40 0 EHABMO c1ccc(C[N@H+]2CCCC[C@H]2c2ccnc(Nc3cnccn3)n2)cc1 ZINC000257332044 564055596 /nfs/dbraw/zinc/05/55/96/564055596.db2.gz XVMTZPYZPVFFHN-SFHVURJKSA-N 1 1 346.438 3.737 40 0 EHABMO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@@H]2C[N@@H+](C3CCC3)C[C@H]21 ZINC000306129940 564062141 /nfs/dbraw/zinc/06/21/41/564062141.db2.gz IRFNKESBWFMDJM-FUHWJXTLSA-N 1 1 345.489 3.523 40 0 EHABMO c1csc(C[N@@H+]2C[C@@H]3Cc4ncc(-c5ccccc5)n4C[C@H]3C2)c1 ZINC000306139512 564062319 /nfs/dbraw/zinc/06/23/19/564062319.db2.gz SZFJIVDQMYWURB-DLBZAZTESA-N 1 1 335.476 3.916 40 0 EHABMO Cc1cccnc1Nc1cc(C2CC[NH+](Cc3c[nH]cn3)CC2)ccn1 ZINC000257339299 564134843 /nfs/dbraw/zinc/13/48/43/564134843.db2.gz ZBDIGVKSYXVXPE-UHFFFAOYSA-N 1 1 348.454 3.631 40 0 EHABMO O=C(c1ccc2c(c1)CCCC2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000038371817 213208743 /nfs/dbraw/zinc/20/87/43/213208743.db2.gz DGBSCQKOWDVSSM-UHFFFAOYSA-N 1 1 334.463 3.523 40 0 EHABMO COc1ccc([C@H]2CCC[N@H+]2C[C@H](O)c2cccs2)c(OC)c1 ZINC000036734403 213114934 /nfs/dbraw/zinc/11/49/34/213114934.db2.gz WSSSDVNRQADDTO-CVEARBPZSA-N 1 1 333.453 3.636 40 0 EHABMO COc1ccc([C@@H]2CCC[N@H+]2C[C@H](O)c2cccs2)c(OC)c1 ZINC000036734400 213114382 /nfs/dbraw/zinc/11/43/82/213114382.db2.gz WSSSDVNRQADDTO-HOTGVXAUSA-N 1 1 333.453 3.636 40 0 EHABMO COC(=O)c1cccc2nc([C@H]3CC[N@H+](C4CCCCC4)C3)oc21 ZINC000035446936 213028767 /nfs/dbraw/zinc/02/87/67/213028767.db2.gz XFFDOJNPNSHWJA-ZDUSSCGKSA-N 1 1 328.412 3.736 40 0 biogenic,in-vitro EHABMO Cc1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)c2ccccc2)n1 ZINC000072378407 216179457 /nfs/dbraw/zinc/17/94/57/216179457.db2.gz RHQMIKVNDIVWOW-GOSISDBHSA-N 1 1 332.407 3.553 40 0 EHABMO c1ccc(C[N@H+]2CCC[C@@H]2c2ccnc(Nc3ccccn3)n2)cc1 ZINC000072377356 216179960 /nfs/dbraw/zinc/17/99/60/216179960.db2.gz WMTJNEXPNUODAV-GOSISDBHSA-N 1 1 331.423 3.952 40 0 EHABMO CCc1nccn1-c1cccc([C@H]2CCC[N@@H+](Cc3ccccn3)C2)n1 ZINC000072379056 216182065 /nfs/dbraw/zinc/18/20/65/216182065.db2.gz FUNHMMIKCLFQRS-KRWDZBQOSA-N 1 1 347.466 3.604 40 0 EHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CCc1ccc(C)cc1 ZINC000216364183 241185937 /nfs/dbraw/zinc/18/59/37/241185937.db2.gz XMOQNCPBXZYKEB-UHFFFAOYSA-N 1 1 333.435 3.738 40 0 EHABMO Cn1ccc2cc(C[C@H]3COCC[N@@H+](CCC(F)(F)F)C3)ccc21 ZINC000257206443 244135626 /nfs/dbraw/zinc/13/56/26/244135626.db2.gz BDLMOVPUVMFTRS-OAHLLOKOSA-N 1 1 340.389 3.622 40 0 EHABMO CC(=O)NCc1cccc([C@@H]2CCC[N@H+]2Cc2c[nH]c3ccccc23)n1 ZINC000257226421 244202133 /nfs/dbraw/zinc/20/21/33/244202133.db2.gz FKOJTRHYOZDDPE-NRFANRHFSA-N 1 1 348.450 3.536 40 0 EHABMO Cc1nccc([C@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccccc3)C2)n1 ZINC000257242143 244247891 /nfs/dbraw/zinc/24/78/91/244247891.db2.gz IBGXDFCUOJGZFP-KRWDZBQOSA-N 1 1 333.439 3.555 40 0 EHABMO Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000257247579 244261510 /nfs/dbraw/zinc/26/15/10/244261510.db2.gz IZOHKKCNWLSNAN-SFHVURJKSA-N 1 1 337.402 3.651 40 0 EHABMO CC(C)n1nccc1-c1cncc(C[C@@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000257259452 244293473 /nfs/dbraw/zinc/29/34/73/244293473.db2.gz KYLNIIBRPXKZDO-INIZCTEOSA-N 1 1 327.476 3.584 40 0 EHABMO C[N@H+]1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)c1ccncc1 ZINC000019589176 212048953 /nfs/dbraw/zinc/04/89/53/212048953.db2.gz IIAKOMMZUVEONO-NJDAHSKKSA-N 1 1 349.478 3.564 40 0 EHABMO C[N@H+]1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)c1ccccn1 ZINC000019589110 212048584 /nfs/dbraw/zinc/04/85/84/212048584.db2.gz FOLAOQFQEDTLQN-TYPHKJRUSA-N 1 1 349.478 3.564 40 0 EHABMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cc(C3CCCCC3)no2)C1 ZINC000012199559 211318587 /nfs/dbraw/zinc/31/85/87/211318587.db2.gz XMKNDZJZAUHZHM-OAHLLOKOSA-N 1 1 333.476 3.573 40 0 EHABMO CC1(C)CCC[N@@H+](Cc2nc(-c3ccc(-c4ccncn4)cc3)no2)C1 ZINC000012220944 211323022 /nfs/dbraw/zinc/32/30/22/211323022.db2.gz HIVDYNVQRICXLF-UHFFFAOYSA-N 1 1 349.438 3.816 40 0 EHABMO Cc1oc2ccc(O)cc2c1C(=O)NC(C)(C)C[N@@H+]1CCC[C@H](C)C1 ZINC000012203229 211320492 /nfs/dbraw/zinc/32/04/92/211320492.db2.gz RRUWZAVXFRQXLV-ZDUSSCGKSA-N 1 1 344.455 3.687 40 0 EHABMO COc1cccc(C[N@H+]2Cc3ccccc3OC3(CCOCC3)C2)c1 ZINC000012122110 211300700 /nfs/dbraw/zinc/30/07/00/211300700.db2.gz ITYMEKWPIFULMX-UHFFFAOYSA-N 1 1 339.435 3.639 40 0 EHABMO CC1(C)CC(N(Cc2cnc[nH]2)Cc2ccccc2F)CC(C)(C)[NH2+]1 ZINC000012116737 211295412 /nfs/dbraw/zinc/29/54/12/211295412.db2.gz RFSGBAXXNHNGOT-UHFFFAOYSA-N 1 1 344.478 3.860 40 0 EHABMO C[C@H]1[C@@H]2C[C@H](CN1C(=O)OC(C)(C)C)C[N@@H+](Cc1ccccc1)C2 ZINC000095093765 218280629 /nfs/dbraw/zinc/28/06/29/218280629.db2.gz YYUADVVEJKUGRU-RYQLBKOJSA-N 1 1 330.472 3.764 40 0 EHABMO C[N@@H+](CCO)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118918442 221204341 /nfs/dbraw/zinc/20/43/41/221204341.db2.gz NINCEUANGIAEBE-TWGZSJHRSA-N 1 1 349.559 3.683 40 0 EHABMO CC[C@@H](OC[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000006356116 563565859 /nfs/dbraw/zinc/56/58/59/563565859.db2.gz QBKYHGIVYNYNLB-LEWJYISDSA-N 1 1 325.452 3.574 40 0 EHABMO CC(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCC[N@H+]2CC1CC1 ZINC000019017911 563853229 /nfs/dbraw/zinc/85/32/29/563853229.db2.gz KWXLCNSEWHMYKJ-NJDAHSKKSA-N 1 1 326.484 3.656 40 0 EHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000044934286 563928367 /nfs/dbraw/zinc/92/83/67/563928367.db2.gz SRDRQJWDFVWVOO-CQSZACIVSA-N 1 1 337.398 3.870 40 0 EHABMO Cc1ccsc1C[N@@H+](CC1=Cc2ccccc2OC1)C[C@@H](C)O ZINC000057810253 563935918 /nfs/dbraw/zinc/93/59/18/563935918.db2.gz IFEKMLXIAIBTJG-OAHLLOKOSA-N 1 1 329.465 3.715 40 0 EHABMO O=C1CC[C@@]2(CCC[N@@H+](CC3CCCCC3)CC2)N1C[C@H]1CCCO1 ZINC000585099830 563971382 /nfs/dbraw/zinc/97/13/82/563971382.db2.gz DFLJKYXZXWNBGM-TZIWHRDSSA-N 1 1 348.531 3.593 40 0 EHABMO CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@@]2(C)OC(C)(C)CC[C@H]2C1 ZINC000585286075 563981885 /nfs/dbraw/zinc/98/18/85/563981885.db2.gz NPEIUCYSHNUWLD-OXJNMPFZSA-N 1 1 347.503 3.593 40 0 EHABMO CCc1ccc(N2C(=O)[C@H]([NH3+])[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000072228049 563986065 /nfs/dbraw/zinc/98/60/65/563986065.db2.gz CVWPKKNTIVVOON-CVEARBPZSA-N 1 1 334.341 3.683 40 0 EHABMO CCc1ccccc1O[C@@H](C)C(=O)NCCC[N@@H+]1CCCC[C@H]1CC ZINC000260380243 563997901 /nfs/dbraw/zinc/99/79/01/563997901.db2.gz NXMZYPWJKOVDCC-PKOBYXMFSA-N 1 1 346.515 3.787 40 0 EHABMO O=C(Cc1cccs1)NCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000222959802 564038559 /nfs/dbraw/zinc/03/85/59/564038559.db2.gz OXKZCLGKBZLHOV-UHFFFAOYSA-N 1 1 345.855 3.721 40 0 EHABMO c1cc2n(c1)C[C@@H](OCc1ccccn1)C[N@@H+](Cc1ccsc1)C2 ZINC000247952527 564052839 /nfs/dbraw/zinc/05/28/39/564052839.db2.gz KVQAJUTXGJBEDN-IBGZPJMESA-N 1 1 339.464 3.546 40 0 EHABMO c1cc2n(c1)C[C@@H](OCc1ccccn1)C[N@H+](Cc1ccsc1)C2 ZINC000247952527 564052840 /nfs/dbraw/zinc/05/28/40/564052840.db2.gz KVQAJUTXGJBEDN-IBGZPJMESA-N 1 1 339.464 3.546 40 0 EHABMO c1cc2c(cccc2C[C@@H]2COCC[N@H+](Cc3cscn3)C2)o1 ZINC000257331845 564055570 /nfs/dbraw/zinc/05/55/70/564055570.db2.gz XUNGDBSSQDJDMC-AWEZNQCLSA-N 1 1 328.437 3.580 40 0 EHABMO c1cc2c(cccc2C[C@@H]2COCC[N@@H+](Cc3cscn3)C2)o1 ZINC000257331845 564055571 /nfs/dbraw/zinc/05/55/71/564055571.db2.gz XUNGDBSSQDJDMC-AWEZNQCLSA-N 1 1 328.437 3.580 40 0 EHABMO COc1ccc2c(c1)CCN(c1cc(NC3CCCC3)nc(C)[nH+]1)C2 ZINC000329014821 564071563 /nfs/dbraw/zinc/07/15/63/564071563.db2.gz MYXJKNMYTAEJRP-UHFFFAOYSA-N 1 1 338.455 3.711 40 0 EHABMO Cc1ccccc1C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000264174992 564124750 /nfs/dbraw/zinc/12/47/50/564124750.db2.gz KUMJKZPCIWESMT-UHFFFAOYSA-N 1 1 334.463 3.658 40 0 EHABMO COc1ccc(C)cc1NC(=O)c1ccc(Cn2cc[nH+]c2C)cc1 ZINC000038849475 213228287 /nfs/dbraw/zinc/22/82/87/213228287.db2.gz IAFHKJKWQQSGKT-UHFFFAOYSA-N 1 1 335.407 3.809 40 0 EHABMO CCOc1ccccc1NC(=O)c1ccc(Cn2cc[nH+]c2C)cc1 ZINC000038834319 213228140 /nfs/dbraw/zinc/22/81/40/213228140.db2.gz WNZJFMPCIPUOJR-UHFFFAOYSA-N 1 1 335.407 3.891 40 0 EHABMO C[N@@H+](Cc1cnc(Cl)s1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072203460 216069500 /nfs/dbraw/zinc/06/95/00/216069500.db2.gz HANFBQCQJWYLAX-UHFFFAOYSA-N 1 1 345.896 3.628 40 0 EHABMO c1csc(C[N@H+]2Cc3cccn3C[C@H](OCc3ccncc3)C2)c1 ZINC000253588451 244025106 /nfs/dbraw/zinc/02/51/06/244025106.db2.gz DCAFJNAFDGPXDC-GOSISDBHSA-N 1 1 339.464 3.546 40 0 EHABMO c1csc(C[N@@H+]2Cc3cccn3C[C@H](OCc3ccncc3)C2)c1 ZINC000253588451 244025110 /nfs/dbraw/zinc/02/51/10/244025110.db2.gz DCAFJNAFDGPXDC-GOSISDBHSA-N 1 1 339.464 3.546 40 0 EHABMO c1csc(C[N@H+]2Cc3cccn3C[C@@H](OCc3cccnc3)C2)c1 ZINC000253588938 244028735 /nfs/dbraw/zinc/02/87/35/244028735.db2.gz ZUVQODQCDPGDIK-SFHVURJKSA-N 1 1 339.464 3.546 40 0 EHABMO c1csc(C[N@@H+]2Cc3cccn3C[C@@H](OCc3cccnc3)C2)c1 ZINC000253588938 244028740 /nfs/dbraw/zinc/02/87/40/244028740.db2.gz ZUVQODQCDPGDIK-SFHVURJKSA-N 1 1 339.464 3.546 40 0 EHABMO CC[C@H](Oc1ccccc1C)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020456723 212131674 /nfs/dbraw/zinc/13/16/74/212131674.db2.gz OUZKVEKIGLMALI-SCTDSRPQSA-N 1 1 346.515 3.637 40 0 EHABMO Cc1nc([C@@]2(C)CCC[N@@H+](Cc3cccnc3)C2)c2sccn12 ZINC000257204244 244126138 /nfs/dbraw/zinc/12/61/38/244126138.db2.gz ATRSLNBTSUPJOD-SFHVURJKSA-N 1 1 326.469 3.653 40 0 EHABMO Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCC[N@H+](C3CCCCC3)C2)n1 ZINC000257243304 244251441 /nfs/dbraw/zinc/25/14/41/244251441.db2.gz IGHOZLTVQJJVNT-OAHLLOKOSA-N 1 1 325.460 3.687 40 0 EHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H](C)Oc1ccccc1C ZINC000020044654 212097311 /nfs/dbraw/zinc/09/73/11/212097311.db2.gz UDNUBKRNMKOJGI-INIZCTEOSA-N 1 1 349.434 3.573 40 0 EHABMO Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCC[N@H+]2Cc2ccsc2)n1 ZINC000257298707 244457944 /nfs/dbraw/zinc/45/79/44/244457944.db2.gz RMYTYYNKQYSGKM-INIZCTEOSA-N 1 1 325.441 3.574 40 0 EHABMO Cc1[nH+]ccn1CCCn1cncc1-c1cnn(C2CCCCC2)c1 ZINC000019719962 212056863 /nfs/dbraw/zinc/05/68/63/212056863.db2.gz UWKIDVXVCVVNMM-UHFFFAOYSA-N 1 1 338.459 3.847 40 0 EHABMO Cc1[nH]c2ccccc2c1Cc1cc(N[C@H]2CCC[N@H+](C)C2)nc(C)n1 ZINC000019655574 212052974 /nfs/dbraw/zinc/05/29/74/212052974.db2.gz JWUQNZJJSQNHLW-INIZCTEOSA-N 1 1 349.482 3.672 40 0 EHABMO Fc1ccccc1C1([NH2+]Cc2ccnc(N3CCCC3)n2)CCCC1 ZINC000012328779 211349570 /nfs/dbraw/zinc/34/95/70/211349570.db2.gz XVJBAZVHMXYEJO-UHFFFAOYSA-N 1 1 340.446 3.775 40 0 EHABMO Cc1nccc(-c2ccc(-c3noc(C[N@@H+]4CCCC[C@@H]4C)n3)cc2)n1 ZINC000012186105 211314390 /nfs/dbraw/zinc/31/43/90/211314390.db2.gz BXRHSDYEUYJCNG-AWEZNQCLSA-N 1 1 349.438 3.876 40 0 EHABMO CC(C)[N@H+]1CCC[C@@H]2CN(C(=O)c3cccc(C(F)(F)F)c3)C[C@@H]21 ZINC000012220209 211322390 /nfs/dbraw/zinc/32/23/90/211322390.db2.gz HKXVYKUYJCLTCT-ZBFHGGJFSA-N 1 1 340.389 3.650 40 0 EHABMO O=c1oc2ccccc2n1[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000012119179 211297650 /nfs/dbraw/zinc/29/76/50/211297650.db2.gz UYFVGKAFHAKQFC-CQSZACIVSA-N 1 1 344.361 3.710 40 0 EHABMO O=c1oc2ccccc2n1[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000012119179 211297657 /nfs/dbraw/zinc/29/76/57/211297657.db2.gz UYFVGKAFHAKQFC-CQSZACIVSA-N 1 1 344.361 3.710 40 0 EHABMO CC(C)(C)c1n[nH]cc1C[N@H+]1CCC[C@](O)(c2ccc(F)cc2)CC1 ZINC000012143571 211305452 /nfs/dbraw/zinc/30/54/52/211305452.db2.gz KVIMUCPQAMNFND-HXUWFJFHSA-N 1 1 345.462 3.720 40 0 EHABMO Cc1[nH+]ccn1CCCC(=O)NCC1(c2ccccc2F)CCCC1 ZINC000019288117 563855371 /nfs/dbraw/zinc/85/53/71/563855371.db2.gz LBHDIWMFKVYBTN-UHFFFAOYSA-N 1 1 343.446 3.739 40 0 EHABMO C[C@H]1CCC[N@@H+](CCCNC(=S)Nc2ccccc2Cl)C1 ZINC000044080786 563926169 /nfs/dbraw/zinc/92/61/69/563926169.db2.gz QQBQNRYSUGDSKW-ZDUSSCGKSA-N 1 1 325.909 3.748 40 0 EHABMO CCOc1ccc(CNC(=O)c2ccc(Cn3cc[nH+]c3C)cc2)cc1 ZINC000044912703 563928308 /nfs/dbraw/zinc/92/83/08/563928308.db2.gz MPQIHBLEADVVHF-UHFFFAOYSA-N 1 1 349.434 3.569 40 0 EHABMO CC[C@H](C)[N@H+]1CCC[C@@]2(CCC(=O)N2Cc2ccc(F)cc2)CC1 ZINC000585100073 563971334 /nfs/dbraw/zinc/97/13/34/563971334.db2.gz DYYWATQSCHSRIB-OXJNMPFZSA-N 1 1 332.463 3.971 40 0 EHABMO O=C1CCCC[C@H]2[C@H](N1)[C@@H](c1ccccc1)C[N@H+]2Cc1ccccc1 ZINC000095951704 563977841 /nfs/dbraw/zinc/97/78/41/563977841.db2.gz SCZTXDTWHNMXJY-RZUBCFFCSA-N 1 1 334.463 3.713 40 0 biogenic EHABMO COc1ccc(N[C@H]2CO[C@]3(CC[N@@H+](Cc4cccs4)C3)C2)cc1 ZINC000096047602 563978250 /nfs/dbraw/zinc/97/82/50/563978250.db2.gz AYISQKGCRWQKOS-VQIMIIECSA-N 1 1 344.480 3.602 40 0 EHABMO Fc1cccc(N[C@@H]2CO[C@]3(CC[N@@H+](Cc4cccs4)C3)C2)c1 ZINC000096047577 563978280 /nfs/dbraw/zinc/97/82/80/563978280.db2.gz DCSMHJYMKBDLGL-FUHWJXTLSA-N 1 1 332.444 3.733 40 0 EHABMO FC1(F)CC[N@@H+](Cc2ccsc2)C[C@]12CCN(c1ccccn1)C2 ZINC000096051143 563978643 /nfs/dbraw/zinc/97/86/43/563978643.db2.gz RVFRAVALJQSUKR-KRWDZBQOSA-N 1 1 349.450 3.881 40 0 EHABMO CCn1cc2c(n1)[C@@H](COCC1CC1)C[N@@H+](Cc1ccc(C)s1)C2 ZINC000096059939 563978856 /nfs/dbraw/zinc/97/88/56/563978856.db2.gz PPAIPIRJEJRLOK-QGZVFWFLSA-N 1 1 345.512 3.799 40 0 EHABMO CCn1cc2c(n1)[C@@H](COCC1CC1)C[N@H+](Cc1ccc(C)s1)C2 ZINC000096059939 563978857 /nfs/dbraw/zinc/97/88/57/563978857.db2.gz PPAIPIRJEJRLOK-QGZVFWFLSA-N 1 1 345.512 3.799 40 0 EHABMO O=C(CC1CCCC1)N1CC[C@@]2(CC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000096076097 563979046 /nfs/dbraw/zinc/97/90/46/563979046.db2.gz BZRFOKVBXMVHOS-HXUWFJFHSA-N 1 1 330.447 3.583 40 0 EHABMO O=C(CC1CCCC1)N1CC[C@@]2(CC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000096076097 563979047 /nfs/dbraw/zinc/97/90/47/563979047.db2.gz BZRFOKVBXMVHOS-HXUWFJFHSA-N 1 1 330.447 3.583 40 0 EHABMO Cc1nc(COC[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccncc2)C3)cs1 ZINC000096109271 563979237 /nfs/dbraw/zinc/97/92/37/563979237.db2.gz KYNPAZNFFFGSOT-MJGOQNOKSA-N 1 1 343.496 3.665 40 0 EHABMO COc1cccc(C[N@H+]2CCC[C@]3(CCN(c4ccccn4)C3)C2)c1 ZINC000096215593 563980237 /nfs/dbraw/zinc/98/02/37/563980237.db2.gz AQKVUCXWAVRKIF-NRFANRHFSA-N 1 1 337.467 3.583 40 0 EHABMO Cc1cccc(CN2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC000096216128 563980269 /nfs/dbraw/zinc/98/02/69/563980269.db2.gz DENHUKMGXMDAAD-JOCHJYFZSA-N 1 1 335.495 3.878 40 0 EHABMO Cc1cc(N2CCOCC2)ncc1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072219389 563985806 /nfs/dbraw/zinc/98/58/06/563985806.db2.gz FGNMGNPSISHKCR-FQEVSTJZSA-N 1 1 337.467 3.564 40 0 EHABMO C[C@@H]1C[C@@]2(C)Oc3ccccc3C[C@@H]2[C@@H](C)[C@@H]1C[NH2+]CCCN(C)C ZINC000013119897 564019558 /nfs/dbraw/zinc/01/95/58/564019558.db2.gz LNUAAHAFERZTED-HTJFHPCASA-N 1 1 344.543 3.830 40 0 EHABMO Cc1cc(C)n(C[C@@H](O)C[N@H+](Cc2ccco2)CC2CCCCC2)n1 ZINC000013991971 564020769 /nfs/dbraw/zinc/02/07/69/564020769.db2.gz VKVUPOKTDUKZTE-IBGZPJMESA-N 1 1 345.487 3.536 40 0 EHABMO CC1(C)CC([N@H+](Cc2ccccc2)C[C@@H]2CCOC2)CC(C)(C)[NH2+]1 ZINC000013992747 564020802 /nfs/dbraw/zinc/02/08/02/564020802.db2.gz BYYRYQVJWVRUFK-SFHVURJKSA-N 1 1 330.516 3.834 40 0 EHABMO O=C(c1ccccc1)N1CCCC2=C[C@@H]3C[C@@H](C[N@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000169677597 564024085 /nfs/dbraw/zinc/02/40/85/564024085.db2.gz ONAFYSXUZBYFOI-IVAOSVALSA-N 1 1 336.479 3.722 40 0 EHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc(Cl)ccc1OC ZINC000225038737 564044476 /nfs/dbraw/zinc/04/44/76/564044476.db2.gz PNPZAWZSNNYZCZ-OAHLLOKOSA-N 1 1 338.879 3.733 40 0 EHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=S)Nc1ccc(F)cc1 ZINC000225449546 564046867 /nfs/dbraw/zinc/04/68/67/564046867.db2.gz HQDKYQSNXJODMI-UHFFFAOYSA-N 1 1 340.427 3.806 40 0 EHABMO CC[C@@](C)(OC)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225602130 564048263 /nfs/dbraw/zinc/04/82/63/564048263.db2.gz KYFUHTDUENTHJV-OXQOHEQNSA-N 1 1 348.487 3.551 40 0 EHABMO Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)s1 ZINC000248119197 564053012 /nfs/dbraw/zinc/05/30/12/564053012.db2.gz ULHVZKGBOYPKKL-CGTJXYLNSA-N 1 1 344.480 3.510 40 0 EHABMO C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1nccc3ccccc31)C2 ZINC000257292766 564054865 /nfs/dbraw/zinc/05/48/65/564054865.db2.gz QMWPFYTTWFYKIP-UYZIEWPDSA-N 1 1 349.478 3.712 40 0 EHABMO Cc1noc(C)c1-c1ccc([C@@H]2CCC[N@H+]2C2CCOCC2)nc1 ZINC000257333511 564055568 /nfs/dbraw/zinc/05/55/68/564055568.db2.gz YBVZQGPHXVFTAO-SFHVURJKSA-N 1 1 327.428 3.669 40 0 EHABMO c1ccc2c(c1)CCN(c1cc(C3CC3)[nH+]c(NC3CCCC3)n1)C2 ZINC000328995131 564071353 /nfs/dbraw/zinc/07/13/53/564071353.db2.gz JGIARNCGEYQGOH-UHFFFAOYSA-N 1 1 334.467 3.693 40 0 EHABMO [NH3+][C@H](c1nnc(-c2cccc(C(F)(F)F)c2)[nH]1)c1ccc(F)cc1 ZINC000095533311 564141627 /nfs/dbraw/zinc/14/16/27/564141627.db2.gz DFWOFQRFJNEAGN-ZDUSSCGKSA-N 1 1 336.292 3.678 40 0 EHABMO CC(C)C(NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)C(C)C ZINC000038849181 213228425 /nfs/dbraw/zinc/22/84/25/213228425.db2.gz KFRFPBLHPHPYOC-KRWDZBQOSA-N 1 1 334.479 3.835 40 0 EHABMO CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038857466 213228515 /nfs/dbraw/zinc/22/85/15/213228515.db2.gz SPRZNANNYXTDBM-ZDUSSCGKSA-N 1 1 329.271 3.732 40 0 EHABMO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038857466 213228517 /nfs/dbraw/zinc/22/85/17/213228517.db2.gz SPRZNANNYXTDBM-ZDUSSCGKSA-N 1 1 329.271 3.732 40 0 EHABMO CC(C)CNC(=O)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038832396 213226348 /nfs/dbraw/zinc/22/63/48/213226348.db2.gz ILIYHWRPJRJUTF-ZDUSSCGKSA-N 1 1 343.298 3.978 40 0 EHABMO CC(C)CNC(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038832396 213226350 /nfs/dbraw/zinc/22/63/50/213226350.db2.gz ILIYHWRPJRJUTF-ZDUSSCGKSA-N 1 1 343.298 3.978 40 0 EHABMO CC1(C)CC(N(Cc2ccccc2F)C[C@H]2CCOC2)CC(C)(C)[NH2+]1 ZINC000036740474 213114584 /nfs/dbraw/zinc/11/45/84/213114584.db2.gz FXPLSISVEIUXPU-MRXNPFEDSA-N 1 1 348.506 3.973 40 0 EHABMO Cc1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2CC(NC(=O)c2cccnc2)C3)cc1 ZINC000035290332 213017773 /nfs/dbraw/zinc/01/77/73/213017773.db2.gz QNAPGRIGQHFXPU-SEJPIABJSA-N 1 1 349.478 3.706 40 0 EHABMO c1ccc(C[N@H+]2CCC[C@H]2c2ccnc(Nc3ccccn3)n2)cc1 ZINC000072377357 216179503 /nfs/dbraw/zinc/17/95/03/216179503.db2.gz WMTJNEXPNUODAV-SFHVURJKSA-N 1 1 331.423 3.952 40 0 EHABMO CC(C)c1nccn1-c1cncc([C@@H]2CCC[N@@H+]2Cc2ccccn2)n1 ZINC000072378626 216181516 /nfs/dbraw/zinc/18/15/16/216181516.db2.gz BHVOOFYJSOMJFH-SFHVURJKSA-N 1 1 348.454 3.518 40 0 EHABMO CC(C)c1nccn1-c1cncc([C@@H]2CCC[N@H+]2Cc2ccccn2)n1 ZINC000072378626 216181520 /nfs/dbraw/zinc/18/15/20/216181520.db2.gz BHVOOFYJSOMJFH-SFHVURJKSA-N 1 1 348.454 3.518 40 0 EHABMO c1ccc(CC[N@H+]2CCC[C@H](c3nnc(-c4cccnc4)o3)C2)cc1 ZINC000072389975 216189043 /nfs/dbraw/zinc/18/90/43/216189043.db2.gz PNMDMMHNXFPTLT-SFHVURJKSA-N 1 1 334.423 3.554 40 0 EHABMO Clc1ccccc1C[N@H+]1CC[C@@H](c2nc(-c3cccnc3)no2)C1 ZINC000072389886 216189859 /nfs/dbraw/zinc/18/98/59/216189859.db2.gz QBFQXWAFESYXMS-OAHLLOKOSA-N 1 1 340.814 3.775 40 0 EHABMO Clc1ccccc1C[N@H+]1CC[C@H](c2nc(-c3ccncc3)no2)C1 ZINC000072389903 216190289 /nfs/dbraw/zinc/19/02/89/216190289.db2.gz NGRLZXIDHICJDA-HNNXBMFYSA-N 1 1 340.814 3.775 40 0 EHABMO COc1cccc(CNCC[NH+](C)C)c1OCc1ccccc1Cl ZINC000022075194 212277091 /nfs/dbraw/zinc/27/70/91/212277091.db2.gz NTEPZCYCOFDLEU-UHFFFAOYSA-N 1 1 348.874 3.579 40 0 EHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H](C)Oc1ccc(C)cc1 ZINC000020493354 212139226 /nfs/dbraw/zinc/13/92/26/212139226.db2.gz SHNJGXHUTZEADE-INIZCTEOSA-N 1 1 349.434 3.573 40 0 EHABMO Cc1ncc(-c2cccc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)n1C ZINC000257244213 244253312 /nfs/dbraw/zinc/25/33/12/244253312.db2.gz IKJZQXFMFDVYEH-GOSISDBHSA-N 1 1 347.466 3.565 40 0 EHABMO COc1cccc(C[N@H+]2CC[C@H](c3nc(-c4cccs4)no3)C2)c1 ZINC000019564781 212043632 /nfs/dbraw/zinc/04/36/32/212043632.db2.gz MENBMEKKXXUJDA-AWEZNQCLSA-N 1 1 341.436 3.796 40 0 EHABMO COc1ccc(-c2cc([C@@H]3CC[N@H+](C4CCSCC4)C3)[nH]n2)cc1 ZINC000019557922 212042415 /nfs/dbraw/zinc/04/24/15/212042415.db2.gz ZIIUDTLHYFAWMY-OAHLLOKOSA-N 1 1 343.496 3.770 40 0 EHABMO CCc1[nH+]ccn1C[C@@H](C)C(=O)N[C@@H](C)c1nc2ccccc2s1 ZINC000019523585 212037541 /nfs/dbraw/zinc/03/75/41/212037541.db2.gz XRRKQCLBUFCHOB-OLZOCXBDSA-N 1 1 342.468 3.569 40 0 EHABMO O=C(c1ccco1)N(CC[NH+]1CCCC1)c1nc2ccccc2s1 ZINC000004968550 210343101 /nfs/dbraw/zinc/34/31/01/210343101.db2.gz ZZBUSIGQZWEDIK-UHFFFAOYSA-N 1 1 341.436 3.632 40 0 EHABMO [NH3+][C@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1F ZINC000072227817 257685889 /nfs/dbraw/zinc/68/58/89/257685889.db2.gz QGDUEHXXYMQXNL-KGLIPLIRSA-N 1 1 325.170 3.548 40 0 EHABMO CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000153889855 528410840 /nfs/dbraw/zinc/41/08/40/528410840.db2.gz AWSXAVNJENPDNV-CYBMUJFWSA-N 1 1 340.870 3.852 40 0 EHABMO C[N@H+]1CCC[C@H](c2cccc(N3CC4(CCCCC4)OC3=O)n2)C1 ZINC000257224015 536388441 /nfs/dbraw/zinc/38/84/41/536388441.db2.gz DZXWBBBBKKOZNX-HNNXBMFYSA-N 1 1 329.444 3.550 40 0 EHABMO COc1ccc(N(C)C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000225901899 536647037 /nfs/dbraw/zinc/64/70/37/536647037.db2.gz YIWYIKZKJZFWRH-SFHVURJKSA-N 1 1 338.451 3.570 40 0 EHABMO O[C@H](CC[N@H+]1CC[C@@H]2CC[C@@H](C2)C1)c1ccc(Br)cc1 ZINC000001615876 563396768 /nfs/dbraw/zinc/39/67/68/563396768.db2.gz UBYSNAMCDWWVHX-GRDNDAEWSA-N 1 1 338.289 3.995 40 0 EHABMO C[NH2+]CCCNCc1ccc(OCc2cccc(Cl)c2)c(OC)c1 ZINC000008377059 563628338 /nfs/dbraw/zinc/62/83/38/563628338.db2.gz WIMFFNWVANOERP-UHFFFAOYSA-N 1 1 348.874 3.627 40 0 EHABMO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(C4CC4)ncc23)cc1C ZINC000012761463 563670606 /nfs/dbraw/zinc/67/06/06/563670606.db2.gz XLKXHYBCXKCBRY-QFBILLFUSA-N 1 1 335.451 3.933 40 0 EHABMO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(C4CC4)ncc23)cc1C ZINC000012761463 563670609 /nfs/dbraw/zinc/67/06/09/563670609.db2.gz XLKXHYBCXKCBRY-QFBILLFUSA-N 1 1 335.451 3.933 40 0 EHABMO CC(=O)N[C@@H](c1nccs1)[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000019020944 563853306 /nfs/dbraw/zinc/85/33/06/563853306.db2.gz JKYKYUTUCJTLSC-IAGOWNOFSA-N 1 1 335.517 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Fc1ccc(-c2cnc3n2C[C@]2(CC[N@@H+](Cc4ccco4)C2)C3)cc1 ZINC000306132154 564062178 /nfs/dbraw/zinc/06/21/78/564062178.db2.gz LACJGGGCLAIBRS-HXUWFJFHSA-N 1 1 337.398 3.731 40 0 EHABMO CC(C)Nc1nc(N2CCc3cc(Br)ccc3C2)cc[nH+]1 ZINC000329042623 564071827 /nfs/dbraw/zinc/07/18/27/564071827.db2.gz SPIRTWICOLTUQT-UHFFFAOYSA-N 1 1 347.260 3.622 40 0 EHABMO CCN(C)[C@H]1C[N@@H+](Cc2c(C)nn(CC)c2C)C2(C1)CCCCC2 ZINC000019703799 564128065 /nfs/dbraw/zinc/12/80/65/564128065.db2.gz PEKIEJFESGIXMZ-GOSISDBHSA-N 1 1 332.536 3.749 40 0 EHABMO CCn1nc(C)c(CN2C[C@H]([N@H+](C)CC)CC23CCCCC3)c1C ZINC000019703799 564128066 /nfs/dbraw/zinc/12/80/66/564128066.db2.gz PEKIEJFESGIXMZ-GOSISDBHSA-N 1 1 332.536 3.749 40 0 EHABMO CCn1nc(C)c(CN2C[C@H]([N@@H+](C)CC)CC23CCCCC3)c1C ZINC000019703799 564128067 /nfs/dbraw/zinc/12/80/67/564128067.db2.gz PEKIEJFESGIXMZ-GOSISDBHSA-N 1 1 332.536 3.749 40 0 EHABMO C[N@H+]1CC[C@]2(c3cccc(O)c3)Cc3nc4ccccc4cc3C[C@H]2C1 ZINC000003995327 210096786 /nfs/dbraw/zinc/09/67/86/210096786.db2.gz LEPBHAAYNPPRRA-WMZHIEFXSA-N 1 1 344.458 3.929 40 0 investigational EHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCCSC(C)(C)C)cc1 ZINC000038862144 213229898 /nfs/dbraw/zinc/22/98/98/213229898.db2.gz UXAIZZBTIWYSID-UHFFFAOYSA-N 1 1 331.485 3.501 40 0 EHABMO COc1ccccc1C[N@@H+](CCCn1ccnc1)Cc1ccoc1 ZINC000036740328 213115285 /nfs/dbraw/zinc/11/52/85/213115285.db2.gz OAVLKCLHCOFSRO-UHFFFAOYSA-N 1 1 325.412 3.577 40 0 EHABMO COc1ccccc1-c1[nH+]c2ccc(C)cn2c1NC[C@@H]1CCCO1 ZINC000035311867 213019025 /nfs/dbraw/zinc/01/90/25/213019025.db2.gz HRNQNDPCHOPPEF-HNNXBMFYSA-N 1 1 337.423 3.909 40 0 EHABMO Cc1cc(C)nc(Nc2cncc([C@@H]3CCC[N@H+]3C3CCCC3)n2)n1 ZINC000072376193 216179090 /nfs/dbraw/zinc/17/90/90/216179090.db2.gz GMZQYAHVBRLGTN-KRWDZBQOSA-N 1 1 338.459 3.707 40 0 EHABMO Cc1nccn1-c1cccc([C@@H]2CCC[N@@H+](CCc3ccccc3)C2)n1 ZINC000072376600 216179894 /nfs/dbraw/zinc/17/98/94/216179894.db2.gz RBDLYZJTVAISNT-HXUWFJFHSA-N 1 1 346.478 3.998 40 0 EHABMO c1cncc(-c2nnc([C@@H]3CCC[N@H+](CC4CCCCC4)C3)o2)c1 ZINC000072389987 216189815 /nfs/dbraw/zinc/18/98/15/216189815.db2.gz INOMNXRYKXBYLL-QGZVFWFLSA-N 1 1 326.444 3.891 40 0 EHABMO Cc1ncc(C[N@H+]2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)s1 ZINC000019719810 212056670 /nfs/dbraw/zinc/05/66/70/212056670.db2.gz FFODLXNFERIEFX-CQSZACIVSA-N 1 1 326.469 3.783 40 0 EHABMO Cc1c2ccccc2oc1CN1CCC([N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000019566357 212043872 /nfs/dbraw/zinc/04/38/72/212043872.db2.gz LNSPZYYYAOQBNM-IYBDPMFKSA-N 1 1 342.483 3.815 40 0 EHABMO Cc1c2ccccc2oc1CN1CCC([N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000019566357 212043873 /nfs/dbraw/zinc/04/38/73/212043873.db2.gz LNSPZYYYAOQBNM-IYBDPMFKSA-N 1 1 342.483 3.815 40 0 EHABMO COc1cc2c(cc1C[N@@H+]1CCc3sccc3[C@@H]1C)OCCO2 ZINC000019498351 212032102 /nfs/dbraw/zinc/03/21/02/212032102.db2.gz BOLCJTUIXZXLID-LBPRGKRZSA-N 1 1 331.437 3.647 40 0 EHABMO COc1cc2c(cc1C[N@H+]1CCc3sccc3[C@@H]1C)OCCO2 ZINC000019498351 212032106 /nfs/dbraw/zinc/03/21/06/212032106.db2.gz BOLCJTUIXZXLID-LBPRGKRZSA-N 1 1 331.437 3.647 40 0 EHABMO Cc1ncc(-c2ccncc2)c([C@@H]2CCC[N@@H+](Cc3ccncc3)C2)n1 ZINC000019286854 212010752 /nfs/dbraw/zinc/01/07/52/212010752.db2.gz ZWKXNIDOKPRLEP-LJQANCHMSA-N 1 1 345.450 3.622 40 0 EHABMO Cc1ccc(C[N@@H+]2CCO[C@H](c3nc(-c4ccccc4)no3)C2)cc1 ZINC000019210320 212003845 /nfs/dbraw/zinc/00/38/45/212003845.db2.gz QLEVRBOSRMEJRV-SFHVURJKSA-N 1 1 335.407 3.619 40 0 EHABMO Cc1ccc(C[N@H+]2CCO[C@H](c3nc(-c4ccccc4)no3)C2)cc1 ZINC000019210320 212003849 /nfs/dbraw/zinc/00/38/49/212003849.db2.gz QLEVRBOSRMEJRV-SFHVURJKSA-N 1 1 335.407 3.619 40 0 EHABMO O=C([C@@H]1CCC[N@H+](CC2(c3ccc(Cl)cc3)CC2)C1)N1CCCC1 ZINC000012364616 211355092 /nfs/dbraw/zinc/35/50/92/211355092.db2.gz ZIWJOVKUKYCIFZ-MRXNPFEDSA-N 1 1 346.902 3.706 40 0 EHABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cc(-c3cccs3)no2)C1 ZINC000012205090 211321084 /nfs/dbraw/zinc/32/10/84/211321084.db2.gz DPLUYDXWJSDCFA-OKILXGFUSA-N 1 1 347.484 3.501 40 0 EHABMO CCCNC(=S)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(C)cc1 ZINC000004887999 210313632 /nfs/dbraw/zinc/31/36/32/210313632.db2.gz VBJWHJQAUFGRIO-YQQQUEKLSA-N 1 1 345.556 3.755 40 0 EHABMO c1ccc(CO[C@@H]2CCCC[C@@H]2[N@H+]2CCN[C@@H]3CCCC[C@@H]32)cc1 ZINC000225714588 257684949 /nfs/dbraw/zinc/68/49/49/257684949.db2.gz KHCKVAHSJRUZNI-IVAOSVALSA-N 1 1 328.500 3.731 40 0 EHABMO c1ccc(CO[C@@H]2CCCC[C@@H]2N2CC[NH2+][C@@H]3CCCC[C@@H]32)cc1 ZINC000225714588 257684951 /nfs/dbraw/zinc/68/49/51/257684951.db2.gz KHCKVAHSJRUZNI-IVAOSVALSA-N 1 1 328.500 3.731 40 0 EHABMO CC(C)CC[N@@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)C(C)(C)C)[C@H]2C1 ZINC000585109179 563971678 /nfs/dbraw/zinc/97/16/78/563971678.db2.gz CMEHDXQCVDQKCV-GBESFXJTSA-N 1 1 328.500 3.965 40 0 EHABMO Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(C(=O)c2cccs2)C3)o1 ZINC000096047015 563978176 /nfs/dbraw/zinc/97/81/76/563978176.db2.gz YUABDOATDQDXNZ-LJQANCHMSA-N 1 1 344.480 3.778 40 0 EHABMO Fc1cccc(N[C@@H]2CO[C@]3(CC[N@@H+](Cc4ccsc4)C3)C2)c1 ZINC000096047585 563978230 /nfs/dbraw/zinc/97/82/30/563978230.db2.gz PWGBGNBWEKZWBV-ZWKOTPCHSA-N 1 1 332.444 3.733 40 0 EHABMO Fc1cccc(N[C@H]2CO[C@]3(CC[N@@H+](Cc4ccsc4)C3)C2)c1 ZINC000096047584 563978305 /nfs/dbraw/zinc/97/83/05/563978305.db2.gz PWGBGNBWEKZWBV-QZTJIDSGSA-N 1 1 332.444 3.733 40 0 EHABMO Cc1ccoc1C(=O)N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccco3)[C@@H]2C1 ZINC000096054578 563978711 /nfs/dbraw/zinc/97/87/11/563978711.db2.gz QBOZYILEXJSWSU-JQHSSLGASA-N 1 1 342.439 3.554 40 0 EHABMO Cc1nc(COC[C@@]23CCC[C@@H]2C[N@@H+](Cc2nccs2)C3)cs1 ZINC000096109269 563979246 /nfs/dbraw/zinc/97/92/46/563979246.db2.gz LDDLLIRBNDPRGQ-PBHICJAKSA-N 1 1 349.525 3.727 40 0 EHABMO Clc1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4ccccn4)C3)o2)cc1 ZINC000049169434 564032514 /nfs/dbraw/zinc/03/25/14/564032514.db2.gz MEIFUJODEYLJJL-AWEZNQCLSA-N 1 1 340.814 3.775 40 0 biogenic,in-vitro EHABMO Cn1c(C[NH+]2CCC(C)(c3nccs3)CC2)nc2ccccc21 ZINC000257320894 564055377 /nfs/dbraw/zinc/05/53/77/564055377.db2.gz VZCDIJDAKJYKRV-UHFFFAOYSA-N 1 1 326.469 3.584 40 0 EHABMO CC(=O)NCc1cccc([C@@H]2CCC[N@H+]2Cc2cccc3[nH]ccc32)n1 ZINC000257332566 564055601 /nfs/dbraw/zinc/05/56/01/564055601.db2.gz XXWPFDNHXZXDIV-NRFANRHFSA-N 1 1 348.450 3.536 40 0 EHABMO CN(C)c1cccc(CC[C@@H]2CCCC[N@H+]2Cc2cscn2)n1 ZINC000257333118 564055609 /nfs/dbraw/zinc/05/56/09/564055609.db2.gz YAFQIBSMZRGFBN-KRWDZBQOSA-N 1 1 330.501 3.591 40 0 EHABMO COCc1csc(-c2cccc([C@@H]3CCC[N@H+](C(C)C)C3)n2)n1 ZINC000257334262 564055668 /nfs/dbraw/zinc/05/56/68/564055668.db2.gz YFEPQKWQCZXZAL-CQSZACIVSA-N 1 1 331.485 3.939 40 0 EHABMO c1ccc(C[N@H+]2CC[C@H](c3ccnc(Nc4ccccn4)n3)C2)cc1 ZINC000257344971 564055836 /nfs/dbraw/zinc/05/58/36/564055836.db2.gz ZZKUKARTKAWLBB-KRWDZBQOSA-N 1 1 331.423 3.605 40 0 EHABMO C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000044912761 564128524 /nfs/dbraw/zinc/12/85/24/564128524.db2.gz BAKGSSKRDQSLGS-XLIONFOSSA-N 1 1 334.463 3.876 40 0 EHABMO Cc1ccc([C@H]([NH3+])c2nnc(-c3cccc(C(F)(F)F)c3)[nH]2)cc1 ZINC000095534144 564141680 /nfs/dbraw/zinc/14/16/80/564141680.db2.gz KUVOMYYWRGIBDW-AWEZNQCLSA-N 1 1 332.329 3.847 40 0 EHABMO Oc1ccc2[nH]c(C[NH+]3CCC(Cc4ccccc4F)CC3)nc2c1 ZINC000003820049 210076645 /nfs/dbraw/zinc/07/66/45/210076645.db2.gz RJZREMJRJAYQCL-UHFFFAOYSA-N 1 1 339.414 3.862 40 0 in-vitro EHABMO CCOc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038834270 213228326 /nfs/dbraw/zinc/22/83/26/213228326.db2.gz QGKRTJXLBHSKIU-GOSISDBHSA-N 1 1 338.451 3.936 40 0 EHABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCc3ccccc3)cc2)C1 ZINC000038832966 213226419 /nfs/dbraw/zinc/22/64/19/213226419.db2.gz JPSCONBINUQDGT-SFHVURJKSA-N 1 1 336.479 3.891 40 0 EHABMO C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000038832854 213226239 /nfs/dbraw/zinc/22/62/39/213226239.db2.gz TZJGCXIBJFIDOF-APWZRJJASA-N 1 1 340.442 3.915 40 0 EHABMO CCN1c2ccc(-c3cncn3CCCn3cc[nH+]c3C)cc2C[C@H]1C ZINC000036752045 213116191 /nfs/dbraw/zinc/11/61/91/213116191.db2.gz KKYYGCOSNWLBNM-MRXNPFEDSA-N 1 1 349.482 3.916 40 0 EHABMO C[N@H+](Cc1cnc(Cl)s1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000072203513 216069458 /nfs/dbraw/zinc/06/94/58/216069458.db2.gz BRSSSSXZEKROCF-NSHDSACASA-N 1 1 345.896 3.628 40 0 EHABMO C[N@@H+](Cc1cnc(Cl)s1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000072203513 216069461 /nfs/dbraw/zinc/06/94/61/216069461.db2.gz BRSSSSXZEKROCF-NSHDSACASA-N 1 1 345.896 3.628 40 0 EHABMO CCc1nccn1-c1cccc([C@@H]2CCC[N@H+]2Cc2ccncc2)n1 ZINC000072355665 216165156 /nfs/dbraw/zinc/16/51/56/216165156.db2.gz SFMLPNLRJJQLNJ-SFHVURJKSA-N 1 1 333.439 3.562 40 0 EHABMO Cc1cccc(OCC[N@H+]2CC[C@H](c3nc(-c4ccccc4)no3)C2)c1 ZINC000072369847 216177267 /nfs/dbraw/zinc/17/72/67/216177267.db2.gz GFKKZBDNNMBLLK-SFHVURJKSA-N 1 1 349.434 3.913 40 0 EHABMO Cc1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(=O)c3ccccc3)C2)n1 ZINC000072378862 216181670 /nfs/dbraw/zinc/18/16/70/216181670.db2.gz CRLKRYIVZOKEPY-GOSISDBHSA-N 1 1 346.434 3.596 40 0 EHABMO Cc1ccc(C[N@H+]2CCC[C@@H](c3nnc(-c4ccncc4)o3)C2)cc1 ZINC000072389950 216188947 /nfs/dbraw/zinc/18/89/47/216188947.db2.gz ZSEXZDXTWJIECH-GOSISDBHSA-N 1 1 334.423 3.820 40 0 EHABMO Cc1ccc(C[N@H+]2CCC[C@H](c3nnc(-c4ccncc4)o3)C2)cc1 ZINC000072389949 216189018 /nfs/dbraw/zinc/18/90/18/216189018.db2.gz ZSEXZDXTWJIECH-SFHVURJKSA-N 1 1 334.423 3.820 40 0 EHABMO c1cc(-c2nnc([C@@H]3CCC[N@H+](CC4CCCCC4)C3)o2)ccn1 ZINC000072389957 216189701 /nfs/dbraw/zinc/18/97/01/216189701.db2.gz BOOMWOMJLBSSAA-QGZVFWFLSA-N 1 1 326.444 3.891 40 0 EHABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=S)Nc2cccc(Cl)c2)C1 ZINC000225726694 242004412 /nfs/dbraw/zinc/00/44/12/242004412.db2.gz KVVYJPKRDZUNQN-OKILXGFUSA-N 1 1 339.936 3.994 40 0 EHABMO C[C@@H]1CCC[N@@H+](CCCNC(=S)Nc2ccc(F)c(Cl)c2)C1 ZINC000225736529 242013213 /nfs/dbraw/zinc/01/32/13/242013213.db2.gz JGIIHXXFSVPOGC-GFCCVEGCSA-N 1 1 343.899 3.888 40 0 EHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H](C)Oc1cccc(C)c1 ZINC000020458635 212133195 /nfs/dbraw/zinc/13/31/95/212133195.db2.gz RFTJQQOREWDSLC-MRXNPFEDSA-N 1 1 349.434 3.573 40 0 EHABMO CNc1cc([C@H]2CCC[N@H+]2Cc2cnc(-c3ccccc3)nc2)ccn1 ZINC000257199603 244116427 /nfs/dbraw/zinc/11/64/27/244116427.db2.gz AABSBXXJYLPLBP-LJQANCHMSA-N 1 1 345.450 3.917 40 0 EHABMO Cc1c[nH]nc1C[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000257244550 244254018 /nfs/dbraw/zinc/25/40/18/244254018.db2.gz ILVUBTFQUBRPOZ-QGZVFWFLSA-N 1 1 347.466 3.630 40 0 EHABMO Cc1cccc(Nc2cc([C@H]3CCC[N@H+](Cc4ncc[nH]4)C3)ccn2)n1 ZINC000257275028 244389565 /nfs/dbraw/zinc/38/95/65/244389565.db2.gz NNQZBTVGKCWBHH-KRWDZBQOSA-N 1 1 348.454 3.631 40 0 EHABMO Cc1cccc(Nc2cc([C@H]3CCC[N@@H+](Cc4ncc[nH]4)C3)ccn2)n1 ZINC000257275028 244389569 /nfs/dbraw/zinc/38/95/69/244389569.db2.gz NNQZBTVGKCWBHH-KRWDZBQOSA-N 1 1 348.454 3.631 40 0 EHABMO COc1ccc(-c2ncc(C[N@@H+](C)[C@@H](C)Cc3ccccn3)cn2)cc1 ZINC000019456970 212029295 /nfs/dbraw/zinc/02/92/95/212029295.db2.gz KVZZMACSVAOHSC-INIZCTEOSA-N 1 1 348.450 3.610 40 0 EHABMO CC(C)c1ncc(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)cn1 ZINC000019453922 212027913 /nfs/dbraw/zinc/02/79/13/212027913.db2.gz JJUGZZBFMJUMRM-IBGZPJMESA-N 1 1 343.446 3.920 40 0 EHABMO CC(C)c1ncc(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)cn1 ZINC000019453922 212027916 /nfs/dbraw/zinc/02/79/16/212027916.db2.gz JJUGZZBFMJUMRM-IBGZPJMESA-N 1 1 343.446 3.920 40 0 EHABMO Fc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000004886628 210311314 /nfs/dbraw/zinc/31/13/14/210311314.db2.gz KUTRLXFVIKQQFP-ZXFUBFMLSA-N 1 1 333.476 3.660 40 0 EHABMO CC1CC[NH+]([C@H](c2nnnn2C2CCCC2)c2ccccc2)CC1 ZINC000004847660 210298766 /nfs/dbraw/zinc/29/87/66/210298766.db2.gz LISIFAWKIDVTLT-SFHVURJKSA-N 1 1 325.460 3.610 40 0 EHABMO N=C1NC(=[NH2+])N(c2ccc3ccccc3c2)[C@H](CCc2ccccc2)N1 ZINC000001725598 563407645 /nfs/dbraw/zinc/40/76/45/563407645.db2.gz XHPXOVCQDASCIN-LJQANCHMSA-N 1 1 343.434 3.667 40 0 EHABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=S)Nc2ccc(F)cc2F)C1 ZINC000044140372 563926234 /nfs/dbraw/zinc/92/62/34/563926234.db2.gz GESZIROMRAEPBS-BETUJISGSA-N 1 1 341.471 3.619 40 0 EHABMO CC1(C)[C@H](OC[C@H](O)C[N@H+]2CCc3ccccc3C2)[C@]2(C)CC[C@H]1C2 ZINC000253479428 563950261 /nfs/dbraw/zinc/95/02/61/563950261.db2.gz QJAWMQQAZFJDAY-CUXKYVRBSA-N 1 1 343.511 3.637 40 0 EHABMO Cc1ccc(CN2C(=O)CC[C@]23CCC[N@@H+](CC2CC2)CC3)cc1 ZINC000585100207 563971369 /nfs/dbraw/zinc/97/13/69/563971369.db2.gz HPMWYELRSDEMKI-NRFANRHFSA-N 1 1 326.484 3.752 40 0 EHABMO Cc1ccccc1CN1C(=O)C[C@H]2[C@@H]1CC[N@H+]2CC1CCCCC1 ZINC000585108980 563971663 /nfs/dbraw/zinc/97/16/63/563971663.db2.gz KIVUYCBGKOKWOM-PMACEKPBSA-N 1 1 326.484 3.751 40 0 EHABMO COc1ccc(N[C@H]2CO[C@@]3(CC[N@@H+](Cc4cccs4)C3)C2)cc1 ZINC000096047604 563978283 /nfs/dbraw/zinc/97/82/83/563978283.db2.gz AYISQKGCRWQKOS-APWZRJJASA-N 1 1 344.480 3.602 40 0 EHABMO COC[C@H]1C[N@H+](Cc2ccc(C)o2)Cc2cn(CC3CCCC3)nc21 ZINC000096059991 563978937 /nfs/dbraw/zinc/97/89/37/563978937.db2.gz UBTFSDKTLMHCTG-GOSISDBHSA-N 1 1 343.471 3.721 40 0 EHABMO COC[C@H]1C[N@@H+](Cc2ccc(C)o2)Cc2cn(CC3CCCC3)nc21 ZINC000096059991 563978938 /nfs/dbraw/zinc/97/89/38/563978938.db2.gz UBTFSDKTLMHCTG-GOSISDBHSA-N 1 1 343.471 3.721 40 0 EHABMO O=C1C[C@]2(CC[N@H+](Cc3ccc(F)cc3)C2)CN1c1cccc(F)c1 ZINC000096077945 563979092 /nfs/dbraw/zinc/97/90/92/563979092.db2.gz XGTRKMPODUOQGY-FQEVSTJZSA-N 1 1 342.389 3.594 40 0 EHABMO FC1(F)CC[N@@H+](Cc2cccs2)C[C@]12CCN(c1ccccn1)C2 ZINC000096239612 563980507 /nfs/dbraw/zinc/98/05/07/563980507.db2.gz KILZBJZKKXKMGR-KRWDZBQOSA-N 1 1 349.450 3.881 40 0 EHABMO CCN(C(=O)Cc1ccc(F)cc1)[C@@H]1C[N@@H+](C)C2(C1)CCCCC2 ZINC000019695643 564023702 /nfs/dbraw/zinc/02/37/02/564023702.db2.gz KILRTRDLMQIIET-SFHVURJKSA-N 1 1 332.463 3.624 40 0 EHABMO COc1ccccc1/C=C/C[N@H+]1CC[C@H]2[C@H]1CCCCCN2C(C)=O ZINC000019712492 564023801 /nfs/dbraw/zinc/02/38/01/564023801.db2.gz RRIMTOHQIXFGAR-XHNDXGPJSA-N 1 1 342.483 3.574 40 0 EHABMO Cc1cccnc1C[N@H+]1CCOC[C@@H](Cc2ccc3ncccc3c2)C1 ZINC000257309201 564055241 /nfs/dbraw/zinc/05/52/41/564055241.db2.gz TZYDYVHYPAMEJR-IBGZPJMESA-N 1 1 347.462 3.629 40 0 EHABMO C[N@@H+]1[C@H](c2ccccc2)C[C@@H]2[C@@H]1CCCCN2C(=O)c1ccccn1 ZINC000257341729 564055760 /nfs/dbraw/zinc/05/57/60/564055760.db2.gz ZLSUUWFUZRLLRC-SLFFLAALSA-N 1 1 335.451 3.522 40 0 EHABMO Fc1ccc(C[N@H+]2CC[C@]3(C[C@H](Nc4cccc(F)c4)CO3)C2)cc1 ZINC000096047595 564128659 /nfs/dbraw/zinc/12/86/59/564128659.db2.gz XWDSOENHFAHJIU-PMACEKPBSA-N 1 1 344.405 3.810 40 0 EHABMO COc1ccc(OC)c([C@H]2CCC[N@H+]2C[C@H](O)c2ccccc2)c1 ZINC000034892185 564177521 /nfs/dbraw/zinc/17/75/21/564177521.db2.gz ZGSJHDUHKWWBFB-MOPGFXCFSA-N 1 1 327.424 3.574 40 0 EHABMO c1cncc(-c2ccc3nc([C@@H]4CCC[N@H+](C5CCC5)C4)nn3c2)c1 ZINC000306128225 1137871328 /nfs/dbraw/zinc/87/13/28/1137871328.db2.gz GUQZYTHKFKSWFM-QGZVFWFLSA-N 1 1 333.439 3.523 40 0 EHABMO O=C(NCCNc1cc[nH+]c2cc(Cl)ccc12)c1cccs1 ZINC000052405340 214127272 /nfs/dbraw/zinc/12/72/72/214127272.db2.gz PBHKCVRDFCUOAM-UHFFFAOYSA-N 1 1 331.828 3.792 40 0 EHABMO Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000038848775 213228846 /nfs/dbraw/zinc/22/88/46/213228846.db2.gz IJUYIHBUOMJUHO-LJQANCHMSA-N 1 1 340.442 3.663 40 0 EHABMO COc1ccccc1C[N@@H+](CCCn1ccnc1)Cc1ccco1 ZINC000036740310 213114885 /nfs/dbraw/zinc/11/48/85/213114885.db2.gz ZJYARNHNGUMABK-UHFFFAOYSA-N 1 1 325.412 3.577 40 0 EHABMO Cc1cc(C)nc([C@@H]2CC[N@@H+](Cc3ccccc3N3CCCC3)C2)n1 ZINC000072369807 216177998 /nfs/dbraw/zinc/17/79/98/216177998.db2.gz GSCWYGIMEOJJDD-LJQANCHMSA-N 1 1 336.483 3.683 40 0 EHABMO Fc1ccccc1Oc1cncc([C@@H]2CCC[N@H+]2C2CCOCC2)n1 ZINC000072384256 216185096 /nfs/dbraw/zinc/18/50/96/216185096.db2.gz CCXLQJJRTGPSFC-KRWDZBQOSA-N 1 1 343.402 3.724 40 0 EHABMO Fc1cccc(C[N@H+]2CCC[C@@H](c3nnc(-c4ccccn4)o3)C2)c1 ZINC000072390041 216189050 /nfs/dbraw/zinc/18/90/50/216189050.db2.gz DAYQMPUIGDLJPF-OAHLLOKOSA-N 1 1 338.386 3.650 40 0 EHABMO Clc1ccccc1C[N@H+]1CC[C@@H](c2nc(-c3ccncc3)no2)C1 ZINC000072389904 216189195 /nfs/dbraw/zinc/18/91/95/216189195.db2.gz NGRLZXIDHICJDA-OAHLLOKOSA-N 1 1 340.814 3.775 40 0 EHABMO Fc1ccc(C[N@H+]2CCC[C@H](c3nnc(-c4cccnc4)o3)C2)cc1 ZINC000072389974 216189445 /nfs/dbraw/zinc/18/94/45/216189445.db2.gz JMEPCOKGZJETAP-INIZCTEOSA-N 1 1 338.386 3.650 40 0 EHABMO Cc1cc(-c2snnc2[C@@H]2CCC[N@@H+](Cc3cccs3)C2)on1 ZINC000072396690 216192997 /nfs/dbraw/zinc/19/29/97/216192997.db2.gz ZMXARGNXLWMILA-GFCCVEGCSA-N 1 1 346.481 3.943 40 0 EHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CCc1ccc(OC)c(C)c1 ZINC000225883386 242069570 /nfs/dbraw/zinc/06/95/70/242069570.db2.gz LOQQNFFZRJMEDZ-IBGZPJMESA-N 1 1 346.515 3.707 40 0 EHABMO c1csc(C[N@H+]2Cc3cccn3C[C@H](OCc3ccccn3)C2)c1 ZINC000253588765 244026572 /nfs/dbraw/zinc/02/65/72/244026572.db2.gz RTOCOCXZDMZFIE-GOSISDBHSA-N 1 1 339.464 3.546 40 0 EHABMO c1csc(C[N@@H+]2Cc3cccn3C[C@H](OCc3ccccn3)C2)c1 ZINC000253588765 244026579 /nfs/dbraw/zinc/02/65/79/244026579.db2.gz RTOCOCXZDMZFIE-GOSISDBHSA-N 1 1 339.464 3.546 40 0 EHABMO CCn1c2ccccc2nc1C[NH+]1CCC(n2nc(C)cc2C)CC1 ZINC000019659036 212054795 /nfs/dbraw/zinc/05/47/95/212054795.db2.gz SLLHAWYCRDBIRF-UHFFFAOYSA-N 1 1 337.471 3.707 40 0 EHABMO CC[N@H+]1CCC[C@@H](n2c(=O)c3c(C)c(C)sc3nc2C(C)C)C1 ZINC000019527113 212037938 /nfs/dbraw/zinc/03/79/38/212037938.db2.gz WHDLJLDCLHQHHQ-CQSZACIVSA-N 1 1 333.501 3.855 40 0 EHABMO Cc1cccc(C[N@@H+]2CCO[C@H](c3nc(-c4ccccc4)no3)C2)c1 ZINC000019235048 212007086 /nfs/dbraw/zinc/00/70/86/212007086.db2.gz JHAOVEOZWMGTLC-SFHVURJKSA-N 1 1 335.407 3.619 40 0 EHABMO Cc1cccc(C[N@H+]2CCO[C@H](c3nc(-c4ccccc4)no3)C2)c1 ZINC000019235048 212007087 /nfs/dbraw/zinc/00/70/87/212007087.db2.gz JHAOVEOZWMGTLC-SFHVURJKSA-N 1 1 335.407 3.619 40 0 EHABMO Fc1ccc([C@@H]2C[N@@H+](CCc3ccccc3)C[C@H]2c2cc[nH]n2)cc1 ZINC000012128990 211300562 /nfs/dbraw/zinc/30/05/62/211300562.db2.gz SWYXMMYNOKJDRY-VQTJNVASSA-N 1 1 335.426 3.975 40 0 EHABMO CCC[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=S)Nc1cccc(OC)c1)C2 ZINC000004857085 210303736 /nfs/dbraw/zinc/30/37/36/210303736.db2.gz AIBQYXBSVSFLIB-ALOPSCKCSA-N 1 1 347.528 3.777 40 0 EHABMO Cc1ccc(NC(=S)NCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000046103192 563929468 /nfs/dbraw/zinc/92/94/68/563929468.db2.gz DHBULMXKIILQCQ-UHFFFAOYSA-N 1 1 339.508 3.730 40 0 EHABMO COc1ccc2c(C[N@H+]3[C@@H]4CC[C@H]3c3cnc(C)nc3C4)cn(C)c2c1 ZINC000072340966 563966374 /nfs/dbraw/zinc/96/63/74/563966374.db2.gz QAQYKTIZEKBOIM-QRWLVFNGSA-N 1 1 348.450 3.547 40 0 EHABMO CC(C)c1nccc([C@H]2C[C@@H]3CC[N@@H+](Cc4ccco4)C[C@H]3O2)n1 ZINC000096046177 563978003 /nfs/dbraw/zinc/97/80/03/563978003.db2.gz GUUZZHYFEFPYEL-BMGDILEWSA-N 1 1 327.428 3.545 40 0 EHABMO Cc1ccccc1O[C@@H]1CCC[C@H]([N@H+]2CCc3ccccc3C2)[C@H]1O ZINC000585290475 563982087 /nfs/dbraw/zinc/98/20/87/563982087.db2.gz WSEHWOXNLZJORN-KSEOMHKRSA-N 1 1 337.463 3.714 40 0 EHABMO Cc1ccc(C[N@H+]2CC[C@]3(C[C@@H](Nc4cccc(F)c4)CO3)C2)o1 ZINC000107728368 563984131 /nfs/dbraw/zinc/98/41/31/563984131.db2.gz PWISKJJIVVAGDI-MJGOQNOKSA-N 1 1 330.403 3.573 40 0 EHABMO CCc1ccc([C@@H]2[C@@H]([NH3+])C(=O)N2c2cccc(C(F)(F)F)c2)cc1 ZINC000072227540 563985927 /nfs/dbraw/zinc/98/59/27/563985927.db2.gz ACBAEPOABYJIEC-HZPDHXFCSA-N 1 1 334.341 3.683 40 0 EHABMO CCc1[nH+]ccn1CCCNC(=O)/C=C/c1ccc(C(C)(C)C)cc1 ZINC000010313963 564017260 /nfs/dbraw/zinc/01/72/60/564017260.db2.gz OLXRZIQKDAXRON-FMIVXFBMSA-N 1 1 339.483 3.963 40 0 EHABMO O=c1c(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)coc2ccccc21 ZINC000013993310 564020849 /nfs/dbraw/zinc/02/08/49/564020849.db2.gz QEGGEPVPSWMLBZ-LJQANCHMSA-N 1 1 349.430 3.974 40 0 EHABMO O=c1c(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)coc2ccccc21 ZINC000013993310 564020850 /nfs/dbraw/zinc/02/08/50/564020850.db2.gz QEGGEPVPSWMLBZ-LJQANCHMSA-N 1 1 349.430 3.974 40 0 EHABMO CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000014258614 564021908 /nfs/dbraw/zinc/02/19/08/564021908.db2.gz HZKUYKJYYRDKPQ-UHFFFAOYSA-N 1 1 343.858 3.621 40 0 EHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc(Cl)ccc1OC ZINC000225038785 564044455 /nfs/dbraw/zinc/04/44/55/564044455.db2.gz PNPZAWZSNNYZCZ-HNNXBMFYSA-N 1 1 338.879 3.733 40 0 EHABMO COc1ccccc1[C@@H](C)NC(=O)c1ccc(Cn2cc[nH+]c2C)cc1 ZINC000225301601 564045764 /nfs/dbraw/zinc/04/57/64/564045764.db2.gz XERYJUQLRDIRSM-OAHLLOKOSA-N 1 1 349.434 3.739 40 0 EHABMO CCOC(C)(C)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260812308 564052598 /nfs/dbraw/zinc/05/25/98/564052598.db2.gz AHRNJQUHNDZVAM-INIZCTEOSA-N 1 1 348.487 3.551 40 0 EHABMO Cc1ccc(C[N@H+]2CCOC[C@@H](Cc3ccc4[nH]ccc4c3)C2)cn1 ZINC000257283970 564054680 /nfs/dbraw/zinc/05/46/80/564054680.db2.gz PASAVNBNXYHKNL-IBGZPJMESA-N 1 1 335.451 3.562 40 0 EHABMO Cc1cccc(CNc2cc(-c3c[nH]nc3[C@@H]3CC[N@H+](C)C3)ccn2)c1 ZINC000257298218 564055065 /nfs/dbraw/zinc/05/50/65/564055065.db2.gz RKRHBTHEBAIVNL-GOSISDBHSA-N 1 1 347.466 3.811 40 0 EHABMO Cc1cc(-c2ncc[nH]2)nc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000257309972 564055265 /nfs/dbraw/zinc/05/52/65/564055265.db2.gz UDDFRLMVRUHYPT-QGZVFWFLSA-N 1 1 333.439 3.555 40 0 EHABMO Cc1ccsc1C[N@H+]1CC[C@H](c2cc(-c3ncc[nH]3)nc(C)n2)C1 ZINC000257318659 564055399 /nfs/dbraw/zinc/05/53/99/564055399.db2.gz VOXLBZJAVOFWEZ-AWEZNQCLSA-N 1 1 339.468 3.535 40 0 EHABMO COc1ccc2[nH]c(C[N@H+]3CC[C@@H](c4nc(C)cc(C)n4)C3)cc2c1 ZINC000257327624 564055520 /nfs/dbraw/zinc/05/55/20/564055520.db2.gz XCBVSSNSDNFRNE-OAHLLOKOSA-N 1 1 336.439 3.573 40 0 EHABMO CC(C)c1ccccc1OC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000001475854 564065601 /nfs/dbraw/zinc/06/56/01/564065601.db2.gz PTIKSCXGHSGHDV-IBGZPJMESA-N 1 1 325.452 3.608 40 0 EHABMO CN1C(=O)CCCC[C@H]2[N@@H+](Cc3ccc4ncccc4c3)CC[C@]21C ZINC000019713676 564128124 /nfs/dbraw/zinc/12/81/24/564128124.db2.gz UKFHWKYHNUOUMG-TZIWHRDSSA-N 1 1 337.467 3.600 40 0 EHABMO Cc1c2ccccc2oc1-c1nnc2sc(C[NH+]3CCCC3)nn21 ZINC000096194440 564146000 /nfs/dbraw/zinc/14/60/00/564146000.db2.gz AXGCAFCUOIBJPJ-UHFFFAOYSA-N 1 1 339.424 3.503 40 0 EHABMO Cc1cnc([C@@H](C)[N@H+]2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)o1 ZINC000331876616 1137923998 /nfs/dbraw/zinc/92/39/98/1137923998.db2.gz UQUGFIKIAXMFML-GHMZBOCLSA-N 1 1 328.338 3.666 40 0 EHABMO CCOc1cccc(NC(=O)c2ccc(Cn3cc[nH+]c3C)cc2)c1 ZINC000044911315 213672725 /nfs/dbraw/zinc/67/27/25/213672725.db2.gz LPXMDKWXGYOBFK-UHFFFAOYSA-N 1 1 335.407 3.891 40 0 EHABMO C[C@H]1C[C@@H](N(C)C(=O)/C=C/c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000104118597 219348674 /nfs/dbraw/zinc/34/86/74/219348674.db2.gz UBWQYEJYEDQQDU-QOEVCOJSSA-N 1 1 349.478 3.606 40 0 EHABMO COc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(-n3ccnc3)n2)cc1 ZINC000072378693 216181307 /nfs/dbraw/zinc/18/13/07/216181307.db2.gz LHPRIICSQIXILS-LJQANCHMSA-N 1 1 334.423 3.613 40 0 EHABMO Cc1ccc(C[N@H+]2CCC[C@@H](c3nnc(-c4cccnc4)o3)C2)cc1 ZINC000072389978 216189602 /nfs/dbraw/zinc/18/96/02/216189602.db2.gz HXWSYEQPNPMLBC-GOSISDBHSA-N 1 1 334.423 3.820 40 0 EHABMO Cc1ccccc1C[N@H+]1CCC[C@@H](c2nnc(-c3ccncc3)o2)C1 ZINC000072389960 216189693 /nfs/dbraw/zinc/18/96/93/216189693.db2.gz PKCMLKFSQNNSQF-GOSISDBHSA-N 1 1 334.423 3.820 40 0 EHABMO c1ccc(-c2nnc([C@@H]3CCC[N@H+](CC4CCCCC4)C3)o2)nc1 ZINC000072390037 216190113 /nfs/dbraw/zinc/19/01/13/216190113.db2.gz OEOHZFDGGMDNBE-MRXNPFEDSA-N 1 1 326.444 3.891 40 0 EHABMO Cc1ccccc1C[N@H+]1CCC[C@H](c2nnc(-c3ccncc3)o2)C1 ZINC000072389959 216190303 /nfs/dbraw/zinc/19/03/03/216190303.db2.gz PKCMLKFSQNNSQF-SFHVURJKSA-N 1 1 334.423 3.820 40 0 EHABMO CCn1ncc(CN(Cc2cccs2)C[C@H]2CCC[N@H+]2CC)c1C ZINC000022915010 212333676 /nfs/dbraw/zinc/33/36/76/212333676.db2.gz ZVWYZEHOUZEFEH-GOSISDBHSA-N 1 1 346.544 3.759 40 0 EHABMO Cc1ccc(NC(=S)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC000225726459 242004508 /nfs/dbraw/zinc/00/45/08/242004508.db2.gz FLEHDFAMRABBJJ-GASCZTMLSA-N 1 1 333.545 3.958 40 0 EHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)Oc2cccc(C)c2)cc1 ZINC000020460276 212133479 /nfs/dbraw/zinc/13/34/79/212133479.db2.gz CRTYMOHWOAKMDU-MRXNPFEDSA-N 1 1 349.434 3.573 40 0 EHABMO Cc1cccc(Nc2cc([C@@H]3CCC[N@H+](Cc4ncc[nH]4)C3)ccn2)n1 ZINC000257275029 244389426 /nfs/dbraw/zinc/38/94/26/244389426.db2.gz NNQZBTVGKCWBHH-QGZVFWFLSA-N 1 1 348.454 3.631 40 0 EHABMO Cc1cccc(Nc2cc([C@@H]3CCC[N@@H+](Cc4ncc[nH]4)C3)ccn2)n1 ZINC000257275029 244389429 /nfs/dbraw/zinc/38/94/29/244389429.db2.gz NNQZBTVGKCWBHH-QGZVFWFLSA-N 1 1 348.454 3.631 40 0 EHABMO Fc1cccc(-c2nc3c(s2)C[N@H+](Cc2cccnc2)CC3)c1 ZINC000019657300 212052545 /nfs/dbraw/zinc/05/25/45/212052545.db2.gz IVOOEHAINDLXQW-UHFFFAOYSA-N 1 1 325.412 3.903 40 0 EHABMO Fc1cccc(-c2nc3c(s2)C[N@@H+](Cc2cccnc2)CC3)c1 ZINC000019657300 212052547 /nfs/dbraw/zinc/05/25/47/212052547.db2.gz IVOOEHAINDLXQW-UHFFFAOYSA-N 1 1 325.412 3.903 40 0 EHABMO C[N@H+]1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)c1cccnc1 ZINC000019589112 212048660 /nfs/dbraw/zinc/04/86/60/212048660.db2.gz MKVRAZJQLDHHNF-HBMCJLEFSA-N 1 1 349.478 3.564 40 0 EHABMO C[N@H+]1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)C1CCC1 ZINC000019589062 212048165 /nfs/dbraw/zinc/04/81/65/212048165.db2.gz SBNGBCRNVXFUIK-ZCNNSNEGSA-N 1 1 326.484 3.656 40 0 EHABMO CC(C)CC(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000019446637 212028424 /nfs/dbraw/zinc/02/84/24/212028424.db2.gz WKUPEBRNSDFFTQ-FXAWDEMLSA-N 1 1 331.504 3.653 40 0 EHABMO OCC[N@H+](Cc1cccnc1)Cc1cccc(Oc2ccccc2)c1 ZINC000019373572 212024047 /nfs/dbraw/zinc/02/40/47/212024047.db2.gz ZXKQILSFJSFUSV-UHFFFAOYSA-N 1 1 334.419 3.868 40 0 EHABMO OCC[N@@H+](Cc1cccnc1)Cc1cccc(Oc2ccccc2)c1 ZINC000019373572 212024051 /nfs/dbraw/zinc/02/40/51/212024051.db2.gz ZXKQILSFJSFUSV-UHFFFAOYSA-N 1 1 334.419 3.868 40 0 EHABMO C[C@@H]1Cc2cc(C[N@@H+](C)Cc3cc(=O)[nH]c4ccccc34)ccc2O1 ZINC000012188477 211313135 /nfs/dbraw/zinc/31/31/35/211313135.db2.gz JJAYGAQJJDQZDA-CQSZACIVSA-N 1 1 334.419 3.896 40 0 EHABMO CC(C)(C)c1n[nH]cc1C[N@H+]1CCC[C@@](O)(c2ccc(F)cc2)CC1 ZINC000012143570 211304430 /nfs/dbraw/zinc/30/44/30/211304430.db2.gz KVIMUCPQAMNFND-FQEVSTJZSA-N 1 1 345.462 3.720 40 0 EHABMO O=C(C[N@H+]1CCc2ccccc2C1)Nc1ccc(N2CCCCC2)cc1 ZINC000004896064 210314709 /nfs/dbraw/zinc/31/47/09/210314709.db2.gz GLNBLZUBSSMCQJ-UHFFFAOYSA-N 1 1 349.478 3.674 40 0 EHABMO O=C(C[N@@H+]1CCc2ccccc2C1)Nc1ccc(N2CCCCC2)cc1 ZINC000004896064 210314704 /nfs/dbraw/zinc/31/47/04/210314704.db2.gz GLNBLZUBSSMCQJ-UHFFFAOYSA-N 1 1 349.478 3.674 40 0 EHABMO C[N@@H+](CCN)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118918354 221204367 /nfs/dbraw/zinc/20/43/67/221204367.db2.gz NDAWUPLIPPNPGL-ILEJNFISSA-N 1 1 348.575 3.649 40 0 EHABMO CN(CC[NH3+])[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118918354 221204369 /nfs/dbraw/zinc/20/43/69/221204369.db2.gz NDAWUPLIPPNPGL-ILEJNFISSA-N 1 1 348.575 3.649 40 0 EHABMO Cc1sc(NC(=O)C[NH+]2CCCCCC2)nc1-c1ccccc1 ZINC000016740514 563822196 /nfs/dbraw/zinc/82/21/96/563822196.db2.gz KTWLFBAYUKBRDA-UHFFFAOYSA-N 1 1 329.469 3.933 40 0 EHABMO COc1ccccc1/C=C/C(=O)NCc1ccc(-n2cc[nH+]c2C)cc1 ZINC000030870401 563911431 /nfs/dbraw/zinc/91/14/31/563911431.db2.gz IPKFVJOZCXYGCU-FMIVXFBMSA-N 1 1 347.418 3.519 40 0 EHABMO CC[C@H](C)C[N@@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)C(C)(C)C)[C@H]2C1 ZINC000585109324 563971699 /nfs/dbraw/zinc/97/16/99/563971699.db2.gz IXQXMAGWGMTXHM-UDTPNQRGSA-N 1 1 328.500 3.965 40 0 EHABMO FC1(F)CC[N@@H+](Cc2ccsc2)C[C@@]12CCN(c1ccccn1)C2 ZINC000096051144 563978631 /nfs/dbraw/zinc/97/86/31/563978631.db2.gz RVFRAVALJQSUKR-QGZVFWFLSA-N 1 1 349.450 3.881 40 0 EHABMO Cc1ccc(C)n1C[C@H]1Cn2ccnc2C[N@H+](Cc2cccs2)C1 ZINC000096086779 563979099 /nfs/dbraw/zinc/97/90/99/563979099.db2.gz KLPJTBMNFLBPRZ-QGZVFWFLSA-N 1 1 340.496 3.695 40 0 EHABMO Cc1ccc(C)n1C[C@H]1Cn2ccnc2C[N@@H+](Cc2cccs2)C1 ZINC000096086779 563979100 /nfs/dbraw/zinc/97/91/00/563979100.db2.gz KLPJTBMNFLBPRZ-QGZVFWFLSA-N 1 1 340.496 3.695 40 0 EHABMO Cc1ccc(C)n1C[C@@H]1Cn2ccnc2C[N@H+](Cc2cccs2)C1 ZINC000096086778 563979141 /nfs/dbraw/zinc/97/91/41/563979141.db2.gz KLPJTBMNFLBPRZ-KRWDZBQOSA-N 1 1 340.496 3.695 40 0 EHABMO Cc1ccc(C)n1C[C@@H]1Cn2ccnc2C[N@@H+](Cc2cccs2)C1 ZINC000096086778 563979142 /nfs/dbraw/zinc/97/91/42/563979142.db2.gz KLPJTBMNFLBPRZ-KRWDZBQOSA-N 1 1 340.496 3.695 40 0 EHABMO CC(C)C(=O)N1CCC[C@]2(CCC[N@H+]2CCCc2ccccc2)C1 ZINC000096214545 563980260 /nfs/dbraw/zinc/98/02/60/563980260.db2.gz IZAPSYGDPDADHG-NRFANRHFSA-N 1 1 328.500 3.732 40 0 EHABMO CC[C@H](C)[N@H+]1CCc2nc(-c3cccc(F)c3)nc(N(C)C)c2C1 ZINC000096254097 563980646 /nfs/dbraw/zinc/98/06/46/563980646.db2.gz BBXUTXAYQHOZGO-ZDUSSCGKSA-N 1 1 328.435 3.505 40 0 EHABMO C[N@H+]1CCC[C@H](c2cccc(-c3cnc4ccc(Cl)cn43)n2)C1 ZINC000585263364 563981059 /nfs/dbraw/zinc/98/10/59/563981059.db2.gz WZKJNWKTPWFEOT-ZDUSSCGKSA-N 1 1 326.831 3.859 40 0 EHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000225629574 564048648 /nfs/dbraw/zinc/04/86/48/564048648.db2.gz RESUETBVPBAJQN-UHFFFAOYSA-N 1 1 345.446 3.990 40 0 EHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)CCCC2 ZINC000225632172 564048706 /nfs/dbraw/zinc/04/87/06/564048706.db2.gz RIVAEJHJRCBLOX-HXUWFJFHSA-N 1 1 328.500 3.950 40 0 EHABMO CC1(C)CC2(CO1)CC[NH+](CC(=O)Nc1ccc(Cl)cc1)CC2 ZINC000257289833 564054834 /nfs/dbraw/zinc/05/48/34/564054834.db2.gz QAJOLBBNKDWGFU-UHFFFAOYSA-N 1 1 336.863 3.560 40 0 EHABMO Cc1cc(-c2nccn2C)nc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000257338484 564055720 /nfs/dbraw/zinc/05/57/20/564055720.db2.gz YXQAUFNVIJQGNA-GOSISDBHSA-N 1 1 347.466 3.565 40 0 EHABMO O=C1OC[C@@H]2CC[N@@H+](Cc3ccc(F)cc3)Cc3ccc(F)cc3N12 ZINC000225484416 564135181 /nfs/dbraw/zinc/13/51/81/564135181.db2.gz IUWMQRKKKVGIPB-KRWDZBQOSA-N 1 1 344.361 3.696 40 0 biogenic,in-vitro EHABMO O=C1OC[C@@H]2CC[N@H+](Cc3ccc(F)cc3)Cc3ccc(F)cc3N12 ZINC000225484416 564135182 /nfs/dbraw/zinc/13/51/82/564135182.db2.gz IUWMQRKKKVGIPB-KRWDZBQOSA-N 1 1 344.361 3.696 40 0 biogenic,in-vitro EHABMO COc1ccc2c(c1)C[N@H+](CC1CCCCC1)CC[C@H]1COC(=O)N21 ZINC000225491949 564135321 /nfs/dbraw/zinc/13/53/21/564135321.db2.gz UHPBULHUBQQURZ-KRWDZBQOSA-N 1 1 344.455 3.806 40 0 biogenic,in-vitro EHABMO CN(C)C[C@@H](CN1c2ccccc2Sc2ccccc21)[NH+](C)C ZINC000019366084 564177334 /nfs/dbraw/zinc/17/73/34/564177334.db2.gz YZQNFFLGIYEXMM-HNNXBMFYSA-N 1 1 327.497 3.781 40 0 in-man EHABMO CC(C)CNC(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038832395 213226982 /nfs/dbraw/zinc/22/69/82/213226982.db2.gz ILIYHWRPJRJUTF-CYBMUJFWSA-N 1 1 343.298 3.978 40 0 EHABMO CC(C)CNC(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038832395 213226983 /nfs/dbraw/zinc/22/69/83/213226983.db2.gz ILIYHWRPJRJUTF-CYBMUJFWSA-N 1 1 343.298 3.978 40 0 EHABMO Cc1cccc(-c2cncc([C@H]3CCC[N@H+](C4CCOCC4)C3)n2)c1 ZINC000072359746 216166481 /nfs/dbraw/zinc/16/64/81/216166481.db2.gz KNCMBTPKODJUAW-SFHVURJKSA-N 1 1 337.467 3.810 40 0 EHABMO CC(C)C[N@H+]1CC[C@H](c2cc(CCOc3ccc(F)c(F)c3)n[nH]2)C1 ZINC000072371201 216178236 /nfs/dbraw/zinc/17/82/36/216178236.db2.gz FFLBVYXJAGIVDL-AWEZNQCLSA-N 1 1 349.425 3.755 40 0 EHABMO CC(C)C[N@@H+]1CC[C@H](c2cc(CCOc3ccc(F)c(F)c3)[nH]n2)C1 ZINC000072371201 216178240 /nfs/dbraw/zinc/17/82/40/216178240.db2.gz FFLBVYXJAGIVDL-AWEZNQCLSA-N 1 1 349.425 3.755 40 0 EHABMO CC(C)C[N@H+]1CC[C@H](c2cc(CCOc3ccc(F)c(F)c3)[nH]n2)C1 ZINC000072371201 216178243 /nfs/dbraw/zinc/17/82/43/216178243.db2.gz FFLBVYXJAGIVDL-AWEZNQCLSA-N 1 1 349.425 3.755 40 0 EHABMO Cc1cccc(C[N@H+]2[C@H](c3ccccc3)C[C@]3(C)NC(=O)CCC[C@H]23)n1 ZINC000257216374 244166298 /nfs/dbraw/zinc/16/62/98/244166298.db2.gz CUHSQXZBRLXMKL-ONTIZHBOSA-N 1 1 349.478 3.764 40 0 EHABMO Cc1cncc([C@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2cccs2)n1 ZINC000257234154 244223807 /nfs/dbraw/zinc/22/38/07/244223807.db2.gz GSKHWZYOTMVGRJ-OAHLLOKOSA-N 1 1 325.441 3.574 40 0 EHABMO Cc1cncc([C@H]2CCC[N@H+]2Cc2c[nH]nc2-c2cccs2)n1 ZINC000257234154 244223817 /nfs/dbraw/zinc/22/38/17/244223817.db2.gz GSKHWZYOTMVGRJ-OAHLLOKOSA-N 1 1 325.441 3.574 40 0 EHABMO C[N@H+]1CCCC[C@@H]2N(C(=O)c3cc4ccccc4[nH]3)CCC[C@@]21C ZINC000257273200 244381749 /nfs/dbraw/zinc/38/17/49/244381749.db2.gz NFQODASZXAUKMV-ICSRJNTNSA-N 1 1 325.456 3.647 40 0 EHABMO CCCn1ncc(C[N@H+]2CCC[C@@H](c3cc4cccnc4[nH]3)C2)c1C ZINC000019525950 212038204 /nfs/dbraw/zinc/03/82/04/212038204.db2.gz KZPLCZNPOBYAAA-QGZVFWFLSA-N 1 1 337.471 3.857 40 0 EHABMO Cc1oc2ccc(O)cc2c1C(=O)NC(C)(C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000012203225 211320319 /nfs/dbraw/zinc/32/03/19/211320319.db2.gz RRUWZAVXFRQXLV-CYBMUJFWSA-N 1 1 344.455 3.687 40 0 EHABMO COc1ccc(C[N@H+]2CCCCC[C@H]2c2cnn(C)c2)cc1OC ZINC000012120262 211298290 /nfs/dbraw/zinc/29/82/90/211298290.db2.gz QXGUQNBLAUVXQO-KRWDZBQOSA-N 1 1 329.444 3.555 40 0 EHABMO CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC[C@H](O)C[N@H+]1CCc3ccccc3C1)C2 ZINC000009970722 211137489 /nfs/dbraw/zinc/13/74/89/211137489.db2.gz HFYVOEARROQXFB-VMBXEPDQSA-N 1 1 343.511 3.637 40 0 EHABMO COC(=O)C1=CCC[C@@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@H]3C[C@@H]12 ZINC000005048144 210374071 /nfs/dbraw/zinc/37/40/71/210374071.db2.gz DFDNBRUSLQYVNA-OMWUSAIZSA-N 1 1 336.435 3.596 40 0 EHABMO COc1cc(C)c(C(=O)NCCC[N@H+]2CCC[C@@H](C)C2)cc1C(C)C ZINC000225668150 536559452 /nfs/dbraw/zinc/55/94/52/536559452.db2.gz LXOMFUQKBQPOML-MRXNPFEDSA-N 1 1 346.515 3.979 40 0 EHABMO COc1ccc(N(C)C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000225901881 536644878 /nfs/dbraw/zinc/64/48/78/536644878.db2.gz YIWYIKZKJZFWRH-GOSISDBHSA-N 1 1 338.451 3.570 40 0 EHABMO Cc1ccccc1C(=O)N1CCC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000408607190 563495580 /nfs/dbraw/zinc/49/55/80/563495580.db2.gz JSDWQFRTTFFUIO-FQEVSTJZSA-N 1 1 334.463 3.658 40 0 EHABMO Cc1cccc(CN2CC[C@@]3(CC[N@@H+](Cc4ccsc4)C3)C2=O)c1 ZINC000096050566 563978447 /nfs/dbraw/zinc/97/84/47/563978447.db2.gz BOIIHJOASWIURE-HXUWFJFHSA-N 1 1 340.492 3.681 40 0 EHABMO O=C1C[C@]2(CC[N@@H+](Cc3ccsc3)C2)CN1c1cccc(F)c1 ZINC000096050713 563978486 /nfs/dbraw/zinc/97/84/86/563978486.db2.gz YOPVSXDZQAAMHC-SFHVURJKSA-N 1 1 330.428 3.516 40 0 EHABMO Cc1cccc(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](CC(C)C)C3)c1 ZINC000096071572 563979068 /nfs/dbraw/zinc/97/90/68/563979068.db2.gz BOKLOVKPGPLQEP-FQEVSTJZSA-N 1 1 329.488 3.971 40 0 EHABMO Cc1cccc(COC[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccncc2)C3)n1 ZINC000096109294 563979302 /nfs/dbraw/zinc/97/93/02/563979302.db2.gz QGTZPCOGEJPDQZ-CTNGQTDRSA-N 1 1 337.467 3.604 40 0 EHABMO COc1ccc(C[C@H]2C[N@@H+](C)CC[C@@H]2OCc2csc(C)n2)cc1 ZINC000096217643 563980425 /nfs/dbraw/zinc/98/04/25/563980425.db2.gz HURMIBOMNYTVLI-LPHOPBHVSA-N 1 1 346.496 3.540 40 0 EHABMO Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[N@@H+](Cc3ccsc3)C[C@H]21 ZINC000096263807 563980685 /nfs/dbraw/zinc/98/06/85/563980685.db2.gz RRQNLNRBPYDWHD-SJORKVTESA-N 1 1 335.476 3.920 40 0 EHABMO [NH3+][C@H]1C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000072227992 563985997 /nfs/dbraw/zinc/98/59/97/563985997.db2.gz DZYIOQCYLRLLKA-ZIAGYGMSSA-N 1 1 340.732 3.774 40 0 EHABMO CCc1ccc([C@H]2[C@H]([NH3+])C(=O)N2c2ccc(Cl)c(Cl)c2)cc1 ZINC000072227819 563986001 /nfs/dbraw/zinc/98/60/01/563986001.db2.gz PYTVKHOJNPMDIL-HOTGVXAUSA-N 1 1 335.234 3.971 40 0 EHABMO CCC[NH+](Cc1ccc(OC)c(OC)c1)[C@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000000494069 563997460 /nfs/dbraw/zinc/99/74/60/563997460.db2.gz TWTOFPRZEXCURK-JZXOWHBKSA-N 1 1 334.504 3.645 40 0 EHABMO CCC[N@H+](Cc1ccc(OC)c(OC)c1)[C@H]1C[C@@H](C)N(C)C[C@@H]1C ZINC000000494069 563997461 /nfs/dbraw/zinc/99/74/61/563997461.db2.gz TWTOFPRZEXCURK-JZXOWHBKSA-N 1 1 334.504 3.645 40 0 EHABMO CCC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@H]1C[C@@H](C)N(C)C[C@@H]1C ZINC000000494069 563997462 /nfs/dbraw/zinc/99/74/62/563997462.db2.gz TWTOFPRZEXCURK-JZXOWHBKSA-N 1 1 334.504 3.645 40 0 EHABMO C=C1[NH+]=C(SCC)N[C@H](c2ccccc2OCC)C1C(=O)OCC ZINC000408994731 564008791 /nfs/dbraw/zinc/00/87/91/564008791.db2.gz ZWTZOJRZAAGOJV-MRXNPFEDSA-N 1 1 348.468 3.676 40 0 EHABMO O=C(Cc1ccccc1)NCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000222938570 564038434 /nfs/dbraw/zinc/03/84/34/564038434.db2.gz FFZXJKVBORMIDB-UHFFFAOYSA-N 1 1 339.826 3.659 40 0 EHABMO O=C(CCSc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000059244590 564050552 /nfs/dbraw/zinc/05/05/52/564050552.db2.gz IETWZKSDULXCDW-UHFFFAOYSA-N 1 1 340.492 3.513 40 0 EHABMO CCOC(C)(C)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260812479 564052629 /nfs/dbraw/zinc/05/26/29/564052629.db2.gz CMVYJQCFMPTZNL-MRXNPFEDSA-N 1 1 348.487 3.693 40 0 EHABMO C[N@@H+](Cc1ccco1)[C@@H]1CCC[C@@H]2CN(C(=O)c3ccccc3)C[C@@H]21 ZINC000248120011 564052960 /nfs/dbraw/zinc/05/29/60/564052960.db2.gz MXPXKLFLAOYKER-YZGWKJHDSA-N 1 1 338.451 3.652 40 0 EHABMO Cc1ncc(-c2cc([C@H]3CCC[N@H+]3Cc3cncs3)ccn2)n1C ZINC000257293205 564054935 /nfs/dbraw/zinc/05/49/35/564054935.db2.gz QONXJDGIZNLQNT-QGZVFWFLSA-N 1 1 339.468 3.584 40 0 EHABMO CCNc1cc(N2CCc3cc([C@H](C)O)ccc3C2)[nH+]c(C(C)C)n1 ZINC000328970884 564071074 /nfs/dbraw/zinc/07/10/74/564071074.db2.gz DNHUXEHFHPBCNF-AWEZNQCLSA-N 1 1 340.471 3.648 40 0 EHABMO CC[C@@H](C)Nc1cc(N2CCc3cc([C@@H](C)O)ccc3C2)[nH+]c(C)n1 ZINC000328975451 564071166 /nfs/dbraw/zinc/07/11/66/564071166.db2.gz FKOMKYHTCLJQNL-ZIAGYGMSSA-N 1 1 340.471 3.611 40 0 EHABMO O=C(c1cccc(C(F)(F)F)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000028210481 564128243 /nfs/dbraw/zinc/12/82/43/564128243.db2.gz HQIXPLPBIZXIGT-UHFFFAOYSA-N 1 1 348.368 3.663 40 0 EHABMO CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000037530350 213154007 /nfs/dbraw/zinc/15/40/07/213154007.db2.gz PSKUZPOGYZMETL-YDETXVTLSA-N 1 1 325.537 3.803 40 0 EHABMO O=C(OCc1ccccc1F)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000072202910 216069714 /nfs/dbraw/zinc/06/97/14/216069714.db2.gz RDJSCQRMOKEUJV-MRXNPFEDSA-N 1 1 345.389 3.920 40 0 EHABMO O=C(c1ccccc1)[C@@H]1C[NH+]=C(Nc2c(Cl)cccc2Cl)N1 ZINC000072266865 216087001 /nfs/dbraw/zinc/08/70/01/216087001.db2.gz YDPKIOHPHRXVGL-ZDUSSCGKSA-N 1 1 334.206 3.616 40 0 in-man EHABMO c1ccc(CC[N@H+]2CCC[C@H]2c2ccc(Nc3cnccn3)cn2)cc1 ZINC000072352991 216161634 /nfs/dbraw/zinc/16/16/34/216161634.db2.gz DWLCWFRASQSTAD-FQEVSTJZSA-N 1 1 345.450 3.995 40 0 EHABMO Cc1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)c2ccccc2)n1 ZINC000072378406 216179850 /nfs/dbraw/zinc/17/98/50/216179850.db2.gz RHQMIKVNDIVWOW-SFHVURJKSA-N 1 1 332.407 3.553 40 0 EHABMO C[C@@H]1CCC[N@@H+](CCCNC(=S)Nc2ccc(Cl)cc2)C1 ZINC000225735511 242010270 /nfs/dbraw/zinc/01/02/70/242010270.db2.gz YQLXXKSEFMVGEC-CYBMUJFWSA-N 1 1 325.909 3.748 40 0 EHABMO Cc1cc2nc(-c3cc(Br)c[n+](C)c3)[nH]c2cc1Cl ZINC000226774370 242115540 /nfs/dbraw/zinc/11/55/40/242115540.db2.gz JLZBIWJQGUBTOG-UHFFFAOYSA-N 1 1 337.628 3.779 40 0 EHABMO Cc1c[nH]c(-c2cc([C@H]3CCCC[N@@H+]3Cc3cccnc3)nc(C)n2)n1 ZINC000257225502 244199380 /nfs/dbraw/zinc/19/93/80/244199380.db2.gz FGNFBVHWTKIPMZ-LJQANCHMSA-N 1 1 348.454 3.606 40 0 EHABMO Cc1c[nH]c(-c2cc([C@H]3CCCC[N@H+]3Cc3cccnc3)nc(C)n2)n1 ZINC000257225502 244199387 /nfs/dbraw/zinc/19/93/87/244199387.db2.gz FGNFBVHWTKIPMZ-LJQANCHMSA-N 1 1 348.454 3.606 40 0 EHABMO CC(=O)N1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)[N@H+]2Cc1ccccn1 ZINC000257244151 244253905 /nfs/dbraw/zinc/25/39/05/244253905.db2.gz IKDDRKHXKKQZON-FDFHNCONSA-N 1 1 349.478 3.798 40 0 EHABMO COc1ccc(-c2cc([C@H]3CC[N@H+](C4CCSCC4)C3)[nH]n2)cc1 ZINC000019557925 212043121 /nfs/dbraw/zinc/04/31/21/212043121.db2.gz ZIIUDTLHYFAWMY-HNNXBMFYSA-N 1 1 343.496 3.770 40 0 EHABMO CC[N@H+]1CCC[C@H](n2c(=O)c3c(C)c(C)sc3nc2C(C)C)C1 ZINC000019527114 212038614 /nfs/dbraw/zinc/03/86/14/212038614.db2.gz WHDLJLDCLHQHHQ-AWEZNQCLSA-N 1 1 333.501 3.855 40 0 EHABMO CC(C)c1ccc(C[N@@H+]2CCC[C@H]2c2nnc(-c3cnccn3)o2)cc1 ZINC000019453252 212028710 /nfs/dbraw/zinc/02/87/10/212028710.db2.gz VTCGBUBXHPGAPE-SFHVURJKSA-N 1 1 349.438 3.987 40 0 EHABMO CC(C)c1ccc(C[N@H+]2CCC[C@H]2c2nnc(-c3cnccn3)o2)cc1 ZINC000019453252 212028711 /nfs/dbraw/zinc/02/87/11/212028711.db2.gz VTCGBUBXHPGAPE-SFHVURJKSA-N 1 1 349.438 3.987 40 0 EHABMO Fc1ccccc1C[N@H+]1CC[C@H](c2nc(-c3cccs3)no2)C1 ZINC000019348840 212019422 /nfs/dbraw/zinc/01/94/22/212019422.db2.gz OABYAYOXLKKKQK-ZDUSSCGKSA-N 1 1 329.400 3.927 40 0 EHABMO COCCOc1cc(C[N@@H+]2CCc3sccc3[C@H]2C)ccc1OC ZINC000012241382 211328719 /nfs/dbraw/zinc/32/87/19/211328719.db2.gz NKICQACTBHUJNY-CQSZACIVSA-N 1 1 347.480 3.901 40 0 EHABMO COCCOc1cc(C[N@H+]2CCc3sccc3[C@H]2C)ccc1OC ZINC000012241382 211328721 /nfs/dbraw/zinc/32/87/21/211328721.db2.gz NKICQACTBHUJNY-CQSZACIVSA-N 1 1 347.480 3.901 40 0 EHABMO CCc1ccc([C@H]2[C@@H]([NH3+])C(=O)N2c2cccc(C(F)(F)F)c2)cc1 ZINC000072227541 262491127 /nfs/dbraw/zinc/49/11/27/262491127.db2.gz ACBAEPOABYJIEC-CVEARBPZSA-N 1 1 334.341 3.683 40 0 EHABMO CC(=O)N1CC[N@@H+](Cc2cccc3cccnc32)C[C@@H]1c1ccccc1 ZINC000257246525 534794634 /nfs/dbraw/zinc/79/46/34/534794634.db2.gz IUMJHEDISPYAIW-OAQYLSRUSA-N 1 1 345.446 3.640 40 0 EHABMO CCOc1cc(C[NH2+]CCCN(C)C)ccc1OCc1ccccc1 ZINC000008254620 563625160 /nfs/dbraw/zinc/62/51/60/563625160.db2.gz HCQCSYAONAYBRW-UHFFFAOYSA-N 1 1 342.483 3.706 40 0 EHABMO CCCOc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000030850150 563910996 /nfs/dbraw/zinc/91/09/96/563910996.db2.gz DOTZLRWGIVRMSG-UHFFFAOYSA-N 1 1 349.434 3.900 40 0 EHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000030941307 563911831 /nfs/dbraw/zinc/91/18/31/563911831.db2.gz YFUDLUBJXWJUHH-UHFFFAOYSA-N 1 1 349.478 3.938 40 0 EHABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3ccc(F)cc3)cc2)C1 ZINC000044932115 563928426 /nfs/dbraw/zinc/92/84/26/563928426.db2.gz DAAJWWJAWBMEKC-INIZCTEOSA-N 1 1 340.442 3.988 40 0 EHABMO COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)[C@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC000073632941 563966527 /nfs/dbraw/zinc/96/65/27/563966527.db2.gz ORASFJUSJVJPBV-BZSNNMDCSA-N 1 1 346.471 3.888 40 0 EHABMO Fc1cccc(N2CCCC3(CC[NH+](CCN4CCCC4)CC3)C2)c1 ZINC000096071863 563979062 /nfs/dbraw/zinc/97/90/62/563979062.db2.gz KKCNSTPUTAYVHF-UHFFFAOYSA-N 1 1 345.506 3.604 40 0 EHABMO CC(C)CN1c2ccccc2[C@@]2(CC[N@@H+](Cc3ccsc3)C2)C1=O ZINC000096100299 563979166 /nfs/dbraw/zinc/97/91/66/563979166.db2.gz FUJSMPLGYNDQRG-FQEVSTJZSA-N 1 1 340.492 3.894 40 0 EHABMO [NH3+][C@@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(Cl)cc1 ZINC000072227531 563985962 /nfs/dbraw/zinc/98/59/62/563985962.db2.gz UOSWDLRIYQFBGL-KBPBESRZSA-N 1 1 340.732 3.774 40 0 EHABMO CCc1ccc([C@H]2[C@H]([NH3+])C(=O)N2c2cccc(C(F)(F)F)c2)cc1 ZINC000072227539 563985966 /nfs/dbraw/zinc/98/59/66/563985966.db2.gz ACBAEPOABYJIEC-HOTGVXAUSA-N 1 1 334.341 3.683 40 0 EHABMO Cc1ccc(-c2csc(NC(=O)C[N@H+]3CCCC[C@H]3C)n2)cc1 ZINC000008560134 564016394 /nfs/dbraw/zinc/01/63/94/564016394.db2.gz UTSJKYASHKKDBR-CQSZACIVSA-N 1 1 329.469 3.931 40 0 EHABMO Cc1ccc(-c2csc(NC(=O)C[N@@H+]3CCCC[C@H]3C)n2)cc1 ZINC000008560134 564016395 /nfs/dbraw/zinc/01/63/95/564016395.db2.gz UTSJKYASHKKDBR-CQSZACIVSA-N 1 1 329.469 3.931 40 0 EHABMO CC1(C)CC([N@H+](Cc2ccccc2)C[C@H]2CCOC2)CC(C)(C)[NH2+]1 ZINC000013992750 564020786 /nfs/dbraw/zinc/02/07/86/564020786.db2.gz BYYRYQVJWVRUFK-GOSISDBHSA-N 1 1 330.516 3.834 40 0 EHABMO CC(C)Oc1ccc(NC(=S)NCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260735400 564052451 /nfs/dbraw/zinc/05/24/51/564052451.db2.gz HJDMYMYSIURBQN-INIZCTEOSA-N 1 1 349.544 3.882 40 0 EHABMO O=C(CCc1ccccc1)N1CC[C@@H]2[C@H](C1)CCCC[N@H+]2CC1CC1 ZINC000257279405 564054630 /nfs/dbraw/zinc/05/46/30/564054630.db2.gz OGKASZYYQKRFSM-LEWJYISDSA-N 1 1 340.511 3.732 40 0 EHABMO Cc1ccsc1C[N@H+]1CCC[C@@H]1c1nc(C)cc(-c2ncc[nH]2)n1 ZINC000257285190 564054692 /nfs/dbraw/zinc/05/46/92/564054692.db2.gz PGACOXLTAONUNL-OAHLLOKOSA-N 1 1 339.468 3.882 40 0 EHABMO c1ccc(C[N@H+]2CCCC[C@@H]2c2ccnc(Nc3cncnc3)n2)cc1 ZINC000257305525 564055141 /nfs/dbraw/zinc/05/51/41/564055141.db2.gz SQKQPHVAHHEXTM-LJQANCHMSA-N 1 1 346.438 3.737 40 0 EHABMO Cc1cccnc1Nc1cc([C@H]2CCC[N@H+]2Cc2cncn2C)ccn1 ZINC000257312075 564055227 /nfs/dbraw/zinc/05/52/27/564055227.db2.gz UMJSIMZYQOKKLO-GOSISDBHSA-N 1 1 348.454 3.599 40 0 EHABMO Cc1cccnc1Nc1cc([C@H]2CCC[N@@H+]2Cc2cncn2C)ccn1 ZINC000257312075 564055228 /nfs/dbraw/zinc/05/52/28/564055228.db2.gz UMJSIMZYQOKKLO-GOSISDBHSA-N 1 1 348.454 3.599 40 0 EHABMO c1csc(C[N@@H+]2C[C@@H]3Cc4ncc(-c5ccccc5)n4C[C@@H]3C2)c1 ZINC000306139514 564062315 /nfs/dbraw/zinc/06/23/15/564062315.db2.gz SZFJIVDQMYWURB-IRXDYDNUSA-N 1 1 335.476 3.916 40 0 EHABMO Cc1cc(NC(=O)N2CCC(c3nccs3)CC2)cn2cc[nH+]c12 ZINC000333703234 1138322822 /nfs/dbraw/zinc/32/28/22/1138322822.db2.gz RRSVPLJFROLXMB-UHFFFAOYSA-N 1 1 341.440 3.511 40 0 EHABMO CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000004019142 210101978 /nfs/dbraw/zinc/10/19/78/210101978.db2.gz OTTUUPAQKHWADJ-KVJIRVJXSA-N 1 1 345.527 3.883 40 0 EHABMO COc1ccc2[nH]c([C@H]3CC[N@@H+](Cc4ccc(F)cc4)C3)nc2c1 ZINC000035446760 213028723 /nfs/dbraw/zinc/02/87/23/213028723.db2.gz SSLOCLBGNAPVHG-AWEZNQCLSA-N 1 1 325.387 3.700 40 0 biogenic,in-vitro EHABMO COc1ccc2nc([C@H]3CC[N@H+](Cc4ccc(F)cc4)C3)[nH]c2c1 ZINC000035446760 213028725 /nfs/dbraw/zinc/02/87/25/213028725.db2.gz SSLOCLBGNAPVHG-AWEZNQCLSA-N 1 1 325.387 3.700 40 0 biogenic,in-vitro EHABMO COc1ccc2nc([C@H]3CC[N@@H+](Cc4ccc(F)cc4)C3)[nH]c2c1 ZINC000035446760 213028726 /nfs/dbraw/zinc/02/87/26/213028726.db2.gz SSLOCLBGNAPVHG-AWEZNQCLSA-N 1 1 325.387 3.700 40 0 biogenic,in-vitro EHABMO COc1ccc(C[N@H+]2CC[C@H](c3nc4cc(OC)ccc4[nH]3)C2)cc1 ZINC000035446730 213029272 /nfs/dbraw/zinc/02/92/72/213029272.db2.gz BSTCSZGDUUMUMN-HNNXBMFYSA-N 1 1 337.423 3.570 40 0 biogenic,in-vitro EHABMO COc1ccc(C[N@@H+]2CC[C@H](c3nc4ccc(OC)cc4[nH]3)C2)cc1 ZINC000035446730 213029275 /nfs/dbraw/zinc/02/92/75/213029275.db2.gz BSTCSZGDUUMUMN-HNNXBMFYSA-N 1 1 337.423 3.570 40 0 biogenic,in-vitro EHABMO COc1ccc(C[N@H+]2CC[C@H](c3nc4ccc(OC)cc4[nH]3)C2)cc1 ZINC000035446730 213029278 /nfs/dbraw/zinc/02/92/78/213029278.db2.gz BSTCSZGDUUMUMN-HNNXBMFYSA-N 1 1 337.423 3.570 40 0 biogenic,in-vitro EHABMO Cc1nccn1-c1cccc([C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000072379088 216180931 /nfs/dbraw/zinc/18/09/31/216180931.db2.gz XZOVMJGYHPFTBQ-IBGZPJMESA-N 1 1 332.451 3.955 40 0 EHABMO Fc1ccccc1C[N@H+]1CCC[C@@H](c2nnc(-c3ccncc3)o2)C1 ZINC000072389946 216188934 /nfs/dbraw/zinc/18/89/34/216188934.db2.gz DSOYQMFWYPKGQE-MRXNPFEDSA-N 1 1 338.386 3.650 40 0 EHABMO CCC[n+]1cc(Br)cc(-c2nc3ccc(C)cc3[nH]2)c1 ZINC000226774338 242115222 /nfs/dbraw/zinc/11/52/22/242115222.db2.gz JOQFORDHMFLHDM-UHFFFAOYSA-N 1 1 331.237 3.998 40 0 EHABMO c1csc(C[N@@H+]2Cc3cccn3[C@H](COCc3ccccn3)C2)c1 ZINC000253588760 244024871 /nfs/dbraw/zinc/02/48/71/244024871.db2.gz RCXVPVTWBGVGPL-SFHVURJKSA-N 1 1 339.464 3.718 40 0 EHABMO c1csc(C[N@H+]2Cc3cccn3[C@H](COCc3ccccn3)C2)c1 ZINC000253588760 244024877 /nfs/dbraw/zinc/02/48/77/244024877.db2.gz RCXVPVTWBGVGPL-SFHVURJKSA-N 1 1 339.464 3.718 40 0 EHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H](C)Oc1cccc(C)c1 ZINC000020458637 212132974 /nfs/dbraw/zinc/13/29/74/212132974.db2.gz RFTJQQOREWDSLC-INIZCTEOSA-N 1 1 349.434 3.573 40 0 EHABMO c1cc2ccc(C[C@H]3COCC[N@@H+](Cc4cncs4)C3)cc2o1 ZINC000257245201 244255352 /nfs/dbraw/zinc/25/53/52/244255352.db2.gz IOMNUMVDWWPYGK-OAHLLOKOSA-N 1 1 328.437 3.580 40 0 EHABMO Cc1nc(-c2ncc[nH]2)cc([C@H]2CCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000257247578 244261770 /nfs/dbraw/zinc/26/17/70/244261770.db2.gz IZOHKKCNWLSNAN-GOSISDBHSA-N 1 1 337.402 3.651 40 0 EHABMO Cc1cccc(Nc2cc([C@H]3CCC[N@H+]3Cc3cncn3C)ccn2)n1 ZINC000257252985 244272037 /nfs/dbraw/zinc/27/20/37/244272037.db2.gz JXCACWZJWGRQQF-GOSISDBHSA-N 1 1 348.454 3.599 40 0 EHABMO Cc1cccc(Nc2cc([C@H]3CCC[N@@H+]3Cc3cncn3C)ccn2)n1 ZINC000257252985 244272043 /nfs/dbraw/zinc/27/20/43/244272043.db2.gz JXCACWZJWGRQQF-GOSISDBHSA-N 1 1 348.454 3.599 40 0 EHABMO Cc1cccnc1Nc1cc([C@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)ccn1 ZINC000257275681 244391838 /nfs/dbraw/zinc/39/18/38/244391838.db2.gz NQLOCIRZCJTFQW-KRWDZBQOSA-N 1 1 348.454 3.631 40 0 EHABMO Cc1cccnc1Nc1cc([C@H]2CCC[N@H+](Cc3c[nH]cn3)C2)ccn1 ZINC000257275681 244391841 /nfs/dbraw/zinc/39/18/41/244391841.db2.gz NQLOCIRZCJTFQW-KRWDZBQOSA-N 1 1 348.454 3.631 40 0 EHABMO Cc1cccnc1Nc1cc([C@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)ccn1 ZINC000257275681 244391847 /nfs/dbraw/zinc/39/18/47/244391847.db2.gz NQLOCIRZCJTFQW-KRWDZBQOSA-N 1 1 348.454 3.631 40 0 EHABMO Cc1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1cn(C(C)C)c3ccccc13)C2 ZINC000019576633 212045409 /nfs/dbraw/zinc/04/54/09/212045409.db2.gz GMUVCLWBHBVPHH-UHFFFAOYSA-N 1 1 336.439 3.585 40 0 EHABMO Cc1nc2c(c(=O)[nH]1)CC[N@H+](Cc1cn(C(C)C)c3ccccc13)C2 ZINC000019576633 212045413 /nfs/dbraw/zinc/04/54/13/212045413.db2.gz GMUVCLWBHBVPHH-UHFFFAOYSA-N 1 1 336.439 3.585 40 0 EHABMO CC(C)(CO)NCC(C)(C)[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000019368997 212022701 /nfs/dbraw/zinc/02/27/01/212022701.db2.gz OBGGOLINWSHCGU-FQEVSTJZSA-N 1 1 340.511 3.699 40 0 EHABMO Fc1cccc(C[N@H+]2CC[C@H](c3nc(-c4cccs4)no3)C2)c1 ZINC000019293789 212013461 /nfs/dbraw/zinc/01/34/61/212013461.db2.gz HSTIACCKKDHAAS-ZDUSSCGKSA-N 1 1 329.400 3.927 40 0 EHABMO Cc1ccc(C2(O)[C@@H]3CCC[C@H]2C[N@H+](CC2CCCCC2)C3)nc1 ZINC000019215701 212005709 /nfs/dbraw/zinc/00/57/09/212005709.db2.gz YOKYQZCFZUCMKH-PMSBKCLSSA-N 1 1 328.500 3.890 40 0 EHABMO CCOC(=O)c1ccc(-c2ccc(C[NH2+]Cc3ccccn3)o2)cc1 ZINC000006870157 257865825 /nfs/dbraw/zinc/86/58/25/257865825.db2.gz QLDUTTFZWTWQBN-UHFFFAOYSA-N 1 1 336.391 3.808 40 0 EHABMO CC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CC[N@H+]2CC1CC1 ZINC000019017593 563853358 /nfs/dbraw/zinc/85/33/58/563853358.db2.gz WYZDDWQNVFWLRM-NJDAHSKKSA-N 1 1 326.484 3.656 40 0 EHABMO CCN1CCCc2cc(-c3cncn3CCCn3cc[nH+]c3C)ccc21 ZINC000019719365 563856609 /nfs/dbraw/zinc/85/66/09/563856609.db2.gz ULGMAWXPPYMDDH-UHFFFAOYSA-N 1 1 349.482 3.918 40 0 EHABMO Cc1ccc(C2(C(=O)N3CCC[C@@]4(CC[N@@H+]4CC(C)C)C3)CC2)cc1 ZINC000585102393 563971505 /nfs/dbraw/zinc/97/15/05/563971505.db2.gz ZEGWHMCVKPYCBD-OAQYLSRUSA-N 1 1 340.511 3.750 40 0 EHABMO Cc1nc([C@H]2C[C@H]3C[N@@H+](Cc4cccnc4)CC[C@@H]3O2)sc1C ZINC000096045997 563977962 /nfs/dbraw/zinc/97/79/62/563977962.db2.gz BMZOORIZFKSTAQ-YESZJQIVSA-N 1 1 329.469 3.507 40 0 EHABMO Cc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(Cc2ccccn2)C3)s1 ZINC000096046950 563978181 /nfs/dbraw/zinc/97/81/81/563978181.db2.gz LYCVYMUENSUMOH-HXUWFJFHSA-N 1 1 341.524 3.940 40 0 EHABMO COc1ccc(N[C@@H]2CO[C@@]3(CC[N@@H+](Cc4cccs4)C3)C2)cc1 ZINC000096047605 563978272 /nfs/dbraw/zinc/97/82/72/563978272.db2.gz AYISQKGCRWQKOS-LPHOPBHVSA-N 1 1 344.480 3.602 40 0 EHABMO O=C1C[C@]2(CC[N@@H+](Cc3cccs3)C2)CN1c1cccc(F)c1 ZINC000096050711 563978489 /nfs/dbraw/zinc/97/84/89/563978489.db2.gz UOOZOFXDBYSZMD-SFHVURJKSA-N 1 1 330.428 3.516 40 0 EHABMO C[N@@H+](Cc1ccco1)[C@@H]1CCC12CCN(C(=O)c1cccs1)CC2 ZINC000096051594 563978659 /nfs/dbraw/zinc/97/86/59/563978659.db2.gz LJQCLSCYKBBEBX-QGZVFWFLSA-N 1 1 344.480 3.858 40 0 EHABMO Fc1ccc(CN2C[C@H]3C[NH+](Cc4cccc(F)c4)C[C@@H]3C2)cc1 ZINC000096053872 563978719 /nfs/dbraw/zinc/97/87/19/563978719.db2.gz PNYZITIRFMNGIG-ROUUACIJSA-N 1 1 328.406 3.529 40 0 EHABMO Cc1cc([C@H]2CCCCN2C(=O)OCc2ccccc2)c[nH+]c1N ZINC000072218471 563985673 /nfs/dbraw/zinc/98/56/73/563985673.db2.gz LTJFYPMADZUARF-QGZVFWFLSA-N 1 1 325.412 3.836 40 0 EHABMO [NH3+][C@@H]1C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000072227991 563986022 /nfs/dbraw/zinc/98/60/22/563986022.db2.gz DZYIOQCYLRLLKA-KBPBESRZSA-N 1 1 340.732 3.774 40 0 EHABMO CCc1ccc(N2C(=O)[C@H]([NH3+])[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000072228052 563986051 /nfs/dbraw/zinc/98/60/51/563986051.db2.gz JIAPSEXOOIYLGE-HZPDHXFCSA-N 1 1 335.234 3.971 40 0 EHABMO [NH2+]=C(Nc1ccccc1)Nc1nc(=O)cc(-c2ccc(Cl)cc2)o1 ZINC000003138214 564012371 /nfs/dbraw/zinc/01/23/71/564012371.db2.gz VSUGXVQBLJHGND-UHFFFAOYSA-N 1 1 340.770 3.814 40 0 EHABMO CCOc1cc(C[NH2+]CCCN(C)C)ccc1OCc1cccs1 ZINC000007523781 564015615 /nfs/dbraw/zinc/01/56/15/564015615.db2.gz VSAAOVCFLCOSCO-UHFFFAOYSA-N 1 1 348.512 3.767 40 0 EHABMO CCCCC[C@H]1C[C@H]([NH2+]CCCN(C)C)C=C(C)[C@@H]1C(=O)OCC ZINC000005163991 564031533 /nfs/dbraw/zinc/03/15/33/564031533.db2.gz JRFXBJKUUCWENF-OTWHNJEPSA-N 1 1 338.536 3.622 40 0 EHABMO c1ccc(CCC[N@H+]2CC[C@H](c3nnc(-c4cccnc4)o3)C2)cc1 ZINC000049169673 564032626 /nfs/dbraw/zinc/03/26/26/564032626.db2.gz MVAOSLBKWSQSED-SFHVURJKSA-N 1 1 334.423 3.554 40 0 biogenic,in-vitro EHABMO CC(C)CCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225580460 564047985 /nfs/dbraw/zinc/04/79/85/564047985.db2.gz XGSAYSCHNLTEPV-UHFFFAOYSA-N 1 1 340.870 3.853 40 0 EHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc(OC)cc1 ZINC000225580916 564048026 /nfs/dbraw/zinc/04/80/26/564048026.db2.gz VULUDCVZCRWCDI-INIZCTEOSA-N 1 1 335.517 3.636 40 0 EHABMO CC(C)n1nccc1-c1cnc(C[C@@H]2CCC[N@H+](C(C)C)C2)cn1 ZINC000257280025 564054675 /nfs/dbraw/zinc/05/46/75/564054675.db2.gz OJDVPEOPCJZNKI-INIZCTEOSA-N 1 1 327.476 3.584 40 0 EHABMO c1coc(C[N@H+]2CC[C@]3(CCn4c(-c5cccs5)cnc43)C2)c1 ZINC000306132141 564062187 /nfs/dbraw/zinc/06/21/87/564062187.db2.gz KZZSDZCQYUTEDL-SFHVURJKSA-N 1 1 325.437 3.752 40 0 EHABMO CCNc1cc(N2CCc3cc(Br)ccc3C2)[nH+]c(C)n1 ZINC000328964324 564070977 /nfs/dbraw/zinc/07/09/77/564070977.db2.gz BURAJRMQUBHYOY-UHFFFAOYSA-N 1 1 347.260 3.542 40 0 EHABMO CC(C)c1ccc(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000006365140 564112339 /nfs/dbraw/zinc/11/23/39/564112339.db2.gz ZEFIOGRPHXWQOO-HXUWFJFHSA-N 1 1 325.452 3.608 40 0 EHABMO C[C@@H]1C[N@@H+](C)CC[C@H]1CCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000253601873 564124708 /nfs/dbraw/zinc/12/47/08/564124708.db2.gz GBOVVLCBJFNDBS-SJLPKXTDSA-N 1 1 337.467 3.854 40 0 EHABMO c1ccc(CO[C@@H]2CCCC[C@@H]2[N@H+]2CCN[C@@H]3CCCC[C@H]32)cc1 ZINC000218838014 564161019 /nfs/dbraw/zinc/16/10/19/564161019.db2.gz KHCKVAHSJRUZNI-MXEMCNAFSA-N 1 1 328.500 3.731 40 0 EHABMO c1ccc(CO[C@@H]2CCCC[C@@H]2N2CC[NH2+][C@@H]3CCCC[C@H]32)cc1 ZINC000218838014 564161020 /nfs/dbraw/zinc/16/10/20/564161020.db2.gz KHCKVAHSJRUZNI-MXEMCNAFSA-N 1 1 328.500 3.731 40 0 EHABMO OCC[N@H+](Cc1cccn1-c1ccccc1Cl)Cc1cccnc1 ZINC000056686185 214383862 /nfs/dbraw/zinc/38/38/62/214383862.db2.gz PGTMHIUOQJQQKH-UHFFFAOYSA-N 1 1 341.842 3.520 40 0 EHABMO OCC[N@@H+](Cc1cccn1-c1ccccc1Cl)Cc1cccnc1 ZINC000056686185 214383867 /nfs/dbraw/zinc/38/38/67/214383867.db2.gz PGTMHIUOQJQQKH-UHFFFAOYSA-N 1 1 341.842 3.520 40 0 EHABMO O=C(Nc1cccc(F)c1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCCC1 ZINC000004489283 210202634 /nfs/dbraw/zinc/20/26/34/210202634.db2.gz PSHPQVUNDYERMX-ZNXRZULTSA-N 1 1 331.435 3.885 40 0 EHABMO COc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000038834240 213227583 /nfs/dbraw/zinc/22/75/83/213227583.db2.gz HQBKRURKZWDYEG-INIZCTEOSA-N 1 1 342.414 3.685 40 0 EHABMO CCc1nccn1-c1nccnc1[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000072350486 216162423 /nfs/dbraw/zinc/16/24/23/216162423.db2.gz NEBSZSYDLJGHRH-GOSISDBHSA-N 1 1 347.466 3.604 40 0 EHABMO Cc1cccnc1Nc1cccc([C@H]2CCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000072375398 216179886 /nfs/dbraw/zinc/17/98/86/216179886.db2.gz BDHBOCJSUXRZMC-GOSISDBHSA-N 1 1 348.454 3.599 40 0 EHABMO Cc1cccnc1Nc1cccc([C@H]2CCC[N@@H+]2Cc2cnn(C)c2)n1 ZINC000072375398 216179890 /nfs/dbraw/zinc/17/98/90/216179890.db2.gz BDHBOCJSUXRZMC-GOSISDBHSA-N 1 1 348.454 3.599 40 0 EHABMO Cc1cc(C)nc([C@@H]2CC[N@@H+](Cc3c[nH]nc3-c3cccs3)C2)n1 ZINC000072369725 216177624 /nfs/dbraw/zinc/17/76/24/216177624.db2.gz SVLBJZFHIPMQFX-CQSZACIVSA-N 1 1 339.468 3.535 40 0 EHABMO Cc1ccccc1C[N@H+]1CCC[C@H](c2nnc(-c3cccnc3)o2)C1 ZINC000072389989 216189726 /nfs/dbraw/zinc/18/97/26/216189726.db2.gz OMDMNVPFUIXNPX-SFHVURJKSA-N 1 1 334.423 3.820 40 0 EHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Cc2cc(C)ccc2C)cc1 ZINC000022533177 212305471 /nfs/dbraw/zinc/30/54/71/212305471.db2.gz KBGSSRILCZDKSV-UHFFFAOYSA-N 1 1 333.435 3.656 40 0 EHABMO Fc1cccc(NC(=S)NCCC[N@H+]2CCc3ccccc3C2)c1 ZINC000225742991 242014061 /nfs/dbraw/zinc/01/40/61/242014061.db2.gz NFBYDUXYYXPONB-UHFFFAOYSA-N 1 1 343.471 3.561 40 0 EHABMO CC(=O)NCc1cccc([C@H]2CCC[N@H+]2Cc2c[nH]c3ccccc23)n1 ZINC000257226422 244200913 /nfs/dbraw/zinc/20/09/13/244200913.db2.gz FKOJTRHYOZDDPE-OAQYLSRUSA-N 1 1 348.450 3.536 40 0 EHABMO O=C(C1CC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](C3CCCC3)CC[C@@H]21 ZINC000019406563 212026407 /nfs/dbraw/zinc/02/64/07/212026407.db2.gz DQLLLQHNZZNURP-FHWLQOOXSA-N 1 1 344.524 3.717 40 0 EHABMO O=c1cc([C@H]2CCCC[N@H+]2Cc2ccccc2)nc(-c2ccncc2)[nH]1 ZINC000019372031 212022634 /nfs/dbraw/zinc/02/26/34/212022634.db2.gz ARGQKDOQZUJYHH-LJQANCHMSA-N 1 1 346.434 3.559 40 0 EHABMO CC(C)(CO)NCC(C)(C)[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000019365996 212022739 /nfs/dbraw/zinc/02/27/39/212022739.db2.gz OBGGOLINWSHCGU-HXUWFJFHSA-N 1 1 340.511 3.699 40 0 EHABMO CC(C)(C)C(=O)N1C[C@H](c2ccsc2)[C@H]2C[N@@H+](CC3CC3)CC[C@H]21 ZINC000019081610 211999414 /nfs/dbraw/zinc/99/94/14/211999414.db2.gz YTUMRQFTZWIKNZ-KZNAEPCWSA-N 1 1 346.540 3.821 40 0 EHABMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccccc3)cc2Cl)CC1 ZINC000005823066 563551512 /nfs/dbraw/zinc/55/15/12/563551512.db2.gz PUIFCTVMZJJWPO-UHFFFAOYSA-N 1 1 343.858 3.734 40 0 EHABMO CN(C)CCC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000008373888 563627889 /nfs/dbraw/zinc/62/78/89/563627889.db2.gz POYSFONCZYHNEJ-UHFFFAOYSA-N 1 1 332.875 3.960 40 0 EHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)/C=C/c2ccc(C)cc2)cc1 ZINC000044904916 563928160 /nfs/dbraw/zinc/92/81/60/563928160.db2.gz BBKCTLRCMIITLX-FMIVXFBMSA-N 1 1 331.419 3.819 40 0 EHABMO CC(C)C[N@H+]1CC[C@@]12CCCN(C(=O)CCc1ccc(Cl)cc1)C2 ZINC000585101785 563971460 /nfs/dbraw/zinc/97/14/60/563971460.db2.gz GGTIMJSCWDGDGO-HXUWFJFHSA-N 1 1 348.918 3.996 40 0 EHABMO C[N@H+]1CC[C@]12CCCN(C(=O)c1ccc(Oc3ccccc3)cc1)C2 ZINC000585102331 563971537 /nfs/dbraw/zinc/97/15/37/563971537.db2.gz XEBIHTVEMVHUAG-NRFANRHFSA-N 1 1 336.435 3.789 40 0 EHABMO O=C1C[C@H]2[C@H](CC[N@H+]2CC2CCCCC2)N1Cc1cccc(F)c1F ZINC000585108988 563971689 /nfs/dbraw/zinc/97/16/89/563971689.db2.gz KYPRBZINUCMRPU-ROUUACIJSA-N 1 1 348.437 3.720 40 0 EHABMO O=C1N(c2ccsc2)CC[C@@]12CCC[N@@H+](Cc1ccsc1)C2 ZINC000096048737 563978323 /nfs/dbraw/zinc/97/83/23/563978323.db2.gz RQYGAIHPDANFEQ-QGZVFWFLSA-N 1 1 332.494 3.829 40 0 EHABMO Cc1ccc(CN2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)s1 ZINC000096055149 563978714 /nfs/dbraw/zinc/97/87/14/563978714.db2.gz MYTKXKSDQRWZNI-SJLPKXTDSA-N 1 1 346.471 3.533 40 0 EHABMO Cc1ccc(C[N@@H+]2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)s1 ZINC000096055149 563978715 /nfs/dbraw/zinc/97/87/15/563978715.db2.gz MYTKXKSDQRWZNI-SJLPKXTDSA-N 1 1 346.471 3.533 40 0 EHABMO Cc1ccc(C[N@H+]2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)s1 ZINC000096055149 563978716 /nfs/dbraw/zinc/97/87/16/563978716.db2.gz MYTKXKSDQRWZNI-SJLPKXTDSA-N 1 1 346.471 3.533 40 0 EHABMO CC(C)CN1c2ccccc2[C@]2(CC[N@@H+](Cc3ccsc3)C2)C1=O ZINC000096100298 563979210 /nfs/dbraw/zinc/97/92/10/563979210.db2.gz FUJSMPLGYNDQRG-HXUWFJFHSA-N 1 1 340.492 3.894 40 0 EHABMO CNc1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)c(C)[nH+]1 ZINC000072219095 563985725 /nfs/dbraw/zinc/98/57/25/563985725.db2.gz GOYAUWVDXUQVNL-KRWDZBQOSA-N 1 1 325.412 3.905 40 0 EHABMO Cc1ccc(-c2csc(NC(=O)C[N@H+]3CCCC[C@@H]3C)n2)cc1 ZINC000008560131 564016398 /nfs/dbraw/zinc/01/63/98/564016398.db2.gz UTSJKYASHKKDBR-AWEZNQCLSA-N 1 1 329.469 3.931 40 0 EHABMO Cc1ccc(-c2csc(NC(=O)C[N@@H+]3CCCC[C@@H]3C)n2)cc1 ZINC000008560131 564016399 /nfs/dbraw/zinc/01/63/99/564016399.db2.gz UTSJKYASHKKDBR-AWEZNQCLSA-N 1 1 329.469 3.931 40 0 EHABMO Cc1nc(Nc2cc(C)nc([C@H]3CC[N@H+](C(C)C)C3)n2)sc1C ZINC000257291897 564054870 /nfs/dbraw/zinc/05/48/70/564054870.db2.gz QJCUMXDOAOCGCL-AWEZNQCLSA-N 1 1 331.489 3.800 40 0 EHABMO Fc1ccc(-c2cnc3n2C[C@]2(CC[N@@H+](Cc4ccoc4)C2)C3)cc1 ZINC000306131212 564062173 /nfs/dbraw/zinc/06/21/73/564062173.db2.gz JYRBGMJZPPQNRI-HXUWFJFHSA-N 1 1 337.398 3.731 40 0 EHABMO Fc1cccc(C[N@@H+]2C[C@@H]3Cc4ncc(-c5ccccc5)n4C[C@H]3C2)c1 ZINC000306129806 564062200 /nfs/dbraw/zinc/06/22/00/564062200.db2.gz INLOTNQKIDUMJG-RBUKOAKNSA-N 1 1 347.437 3.994 40 0 EHABMO O=C(OCc1ccccc1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000575447509 564079777 /nfs/dbraw/zinc/07/97/77/564079777.db2.gz AUGRQMMVNGVQLT-VQTJNVASSA-N 1 1 336.435 3.530 40 0 EHABMO CC(C)(C)c1ccccc1OC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000006364113 564112324 /nfs/dbraw/zinc/11/23/24/564112324.db2.gz HSGATDKPAYOOJN-IBGZPJMESA-N 1 1 339.479 3.782 40 0 EHABMO O=C(c1cccc(Cl)c1)N1CC[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000238871340 564120117 /nfs/dbraw/zinc/12/01/17/564120117.db2.gz MZEMRADOUXMHGI-LJQANCHMSA-N 1 1 340.854 3.613 40 0 EHABMO C[N@H+]1CCCCC[C@@H]2[C@@H]1CCN2C(=O)CCCc1ccc(F)cc1 ZINC000019712488 564128070 /nfs/dbraw/zinc/12/80/70/564128070.db2.gz KILXZVDOJNVMRU-RBUKOAKNSA-N 1 1 332.463 3.624 40 0 EHABMO CC(=O)N1CCCCC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccnc2ccccc12 ZINC000019712164 564128073 /nfs/dbraw/zinc/12/80/73/564128073.db2.gz ZXGXSGPLRCHTEB-RTWAWAEBSA-N 1 1 337.467 3.600 40 0 EHABMO CC(=O)N1CC[C@@H]2[C@H]1CCCC[N@@H+]2Cc1ccc(Cl)c(Cl)c1 ZINC000019712573 564128093 /nfs/dbraw/zinc/12/80/93/564128093.db2.gz JXOZKKKLBBRJCW-IAGOWNOFSA-N 1 1 341.282 3.969 40 0 EHABMO CC(=O)N1CC[C@@H]2[C@H]1CCCC[N@H+]2Cc1ccc(Cl)c(Cl)c1 ZINC000019712573 564128094 /nfs/dbraw/zinc/12/80/94/564128094.db2.gz JXOZKKKLBBRJCW-IAGOWNOFSA-N 1 1 341.282 3.969 40 0 EHABMO COc1ccccc1C[N@@H+](Cc1cccc(C)n1)C[C@@H]1CCCO1 ZINC000056668451 214383210 /nfs/dbraw/zinc/38/32/10/214383210.db2.gz AQVWUFUZIXEJLV-IBGZPJMESA-N 1 1 326.440 3.580 40 0 EHABMO COc1ccccc1C[N@H+](Cc1cccc(C)n1)C[C@@H]1CCCO1 ZINC000056668451 214383211 /nfs/dbraw/zinc/38/32/11/214383211.db2.gz AQVWUFUZIXEJLV-IBGZPJMESA-N 1 1 326.440 3.580 40 0 EHABMO CC(C)c1ccc(OCCOC[C@@H](O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000040373232 213293760 /nfs/dbraw/zinc/29/37/60/213293760.db2.gz OKDQYRMAQYYREX-NSHGMRRFSA-N 1 1 349.515 3.829 40 0 EHABMO CCOc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000038834333 213227572 /nfs/dbraw/zinc/22/75/72/213227572.db2.gz HNOBEUVOVKRPEA-SFHVURJKSA-N 1 1 338.451 3.936 40 0 EHABMO Cc1cc(C)n(-c2cccc(C[N@H+](C)[C@@H](C)Cc3ccccn3)c2)n1 ZINC000036740655 213115507 /nfs/dbraw/zinc/11/55/07/213115507.db2.gz GGEKULQEEUDGCO-KRWDZBQOSA-N 1 1 334.467 3.947 40 0 EHABMO CCc1ccccc1O[C@@H](C)C(=O)NCCC[N@@H+]1CCCC[C@@H]1CC ZINC000036107339 213068303 /nfs/dbraw/zinc/06/83/03/213068303.db2.gz NXMZYPWJKOVDCC-HKUYNNGSSA-N 1 1 346.515 3.787 40 0 EHABMO COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH3+])C=C3C)[nH]c2c1 ZINC000072320962 216149281 /nfs/dbraw/zinc/14/92/81/216149281.db2.gz KPVCNCWWBZJPJD-ZOBUZTSGSA-N 1 1 327.472 3.927 40 0 biogenic,in-vitro EHABMO Cc1nc(Nc2cnccn2)cc([C@@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000072360099 216165664 /nfs/dbraw/zinc/16/56/64/216165664.db2.gz LGNWNDSUUNXSDA-SFHVURJKSA-N 1 1 346.438 3.656 40 0 EHABMO Cc1cccc(Nc2cccc([C@H]3CCC[N@H+]3Cc3cnn(C)c3)n2)n1 ZINC000072375396 216179404 /nfs/dbraw/zinc/17/94/04/216179404.db2.gz OBIVRTWOTBPTQQ-GOSISDBHSA-N 1 1 348.454 3.599 40 0 EHABMO Cc1cccc(Nc2cccc([C@H]3CCC[N@@H+]3Cc3cnn(C)c3)n2)n1 ZINC000072375396 216179407 /nfs/dbraw/zinc/17/94/07/216179407.db2.gz OBIVRTWOTBPTQQ-GOSISDBHSA-N 1 1 348.454 3.599 40 0 EHABMO CN(C)[C@@H]1C[N@H+](Cc2ccsc2)C[C@H]1c1cn(C)c2ccccc12 ZINC000072395143 216192507 /nfs/dbraw/zinc/19/25/07/216192507.db2.gz GWCRFOKIDFCAKX-AZUAARDMSA-N 1 1 339.508 3.769 40 0 EHABMO CN(C)[C@@H]1C[N@@H+](Cc2ccsc2)C[C@H]1c1cn(C)c2ccccc12 ZINC000072395143 216192510 /nfs/dbraw/zinc/19/25/10/216192510.db2.gz GWCRFOKIDFCAKX-AZUAARDMSA-N 1 1 339.508 3.769 40 0 EHABMO C[C@H]1CCC[N@@H+](CCCNC(=S)Nc2ccc(Cl)cc2)C1 ZINC000225735537 242010427 /nfs/dbraw/zinc/01/04/27/242010427.db2.gz YQLXXKSEFMVGEC-ZDUSSCGKSA-N 1 1 325.909 3.748 40 0 EHABMO Cc1cccc(Nc2cc([C@H]3CCC[N@@H+]3Cc3cnn(C)c3)ccn2)n1 ZINC000257219761 244183228 /nfs/dbraw/zinc/18/32/28/244183228.db2.gz DIAFGMRLTJIRSJ-GOSISDBHSA-N 1 1 348.454 3.599 40 0 EHABMO Cc1c2cc(C)ccc2[nH]c1-c1cncn1[C@@H](C)C[NH+]1CCOCC1 ZINC000019719531 212057203 /nfs/dbraw/zinc/05/72/03/212057203.db2.gz KZTWXRGYWBGCBS-HNNXBMFYSA-N 1 1 338.455 3.541 40 0 EHABMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1ccccc1OC ZINC000019527221 212038023 /nfs/dbraw/zinc/03/80/23/212038023.db2.gz MNEITHTXZPGMOW-HXUWFJFHSA-N 1 1 339.483 3.577 40 0 EHABMO c1ccc(-c2noc([C@H]3C[N@@H+](CC4CCCCC4)CCO3)n2)cc1 ZINC000019374351 212023946 /nfs/dbraw/zinc/02/39/46/212023946.db2.gz NXFVVEVOMDRHDM-QGZVFWFLSA-N 1 1 327.428 3.690 40 0 EHABMO O[C@H](C[N@H+]1CCc2onc(-c3cccc(F)c3)c2C1)c1cccs1 ZINC000019294328 212012852 /nfs/dbraw/zinc/01/28/52/212012852.db2.gz LNFHWNFCEUDDAW-OAHLLOKOSA-N 1 1 344.411 3.634 40 0 EHABMO OCC[N@@H+](Cc1c2cccnc2[nH]c1-c1ccco1)Cc1ccccc1 ZINC000012256340 211329447 /nfs/dbraw/zinc/32/94/47/211329447.db2.gz BCNISANEMRBXHG-UHFFFAOYSA-N 1 1 347.418 3.817 40 0 EHABMO COc1ccc(C[N@H+]2CCC[C@H]2c2cc3cccnc3[nH]2)cc1OC ZINC000012222638 211323881 /nfs/dbraw/zinc/32/38/81/211323881.db2.gz HSBXGIZLBDTKGH-KRWDZBQOSA-N 1 1 337.423 3.917 40 0 EHABMO CC(C)c1ncc(C[N@H+]2CCC[C@](O)(c3ccc(F)cc3)CC2)cn1 ZINC000012220549 211322126 /nfs/dbraw/zinc/32/21/26/211322126.db2.gz WUQQHNYHEMRQBR-HXUWFJFHSA-N 1 1 343.446 3.613 40 0 EHABMO COc1cc2cc3c(nc2cc1OC)OCC[N@@H+](C1CCCCC1)C3 ZINC000012119973 211298594 /nfs/dbraw/zinc/29/85/94/211298594.db2.gz JUBKSYPNNNFZGG-UHFFFAOYSA-N 1 1 342.439 3.779 40 0 EHABMO COc1cc2cc3c(nc2cc1OC)OCC[N@H+](C1CCCCC1)C3 ZINC000012119973 211298599 /nfs/dbraw/zinc/29/85/99/211298599.db2.gz JUBKSYPNNNFZGG-UHFFFAOYSA-N 1 1 342.439 3.779 40 0 EHABMO COc1c2c(cc3c1[C@@H](CCCc1ccccc1)[N@@H+](C)CC3)OCO2 ZINC000004916811 210322897 /nfs/dbraw/zinc/32/28/97/210322897.db2.gz NGWNBLVYNIGAGH-QGZVFWFLSA-N 1 1 339.435 3.976 40 0 EHABMO CNc1cc(C)c([C@@H]2CCCN2C(=O)OCc2ccccc2)c[nH+]1 ZINC000072219035 257687269 /nfs/dbraw/zinc/68/72/69/257687269.db2.gz NMUFDIQJFRUMOL-KRWDZBQOSA-N 1 1 325.412 3.905 40 0 EHABMO CC(C)Nc1nc(N2Cc3ccccc3C(C)(C)C2)cc(C2CC2)[nH+]1 ZINC000329070291 257901166 /nfs/dbraw/zinc/90/11/66/257901166.db2.gz ZFUDQPJDFBSYJD-UHFFFAOYSA-N 1 1 336.483 3.894 40 0 EHABMO COc1cc(C[NH2+]CCCN(C)C)ccc1OCc1cccc(C)c1 ZINC000016349307 563809297 /nfs/dbraw/zinc/80/92/97/563809297.db2.gz TZCLVDFQSUAPOT-UHFFFAOYSA-N 1 1 342.483 3.624 40 0 EHABMO CC(=O)N1C[C@H](c2ccsc2)[C@H]2C[N@@H+](Cc3cccs3)CC[C@H]21 ZINC000019019463 563853190 /nfs/dbraw/zinc/85/31/90/563853190.db2.gz GCCMDUJEAWVBPZ-KZNAEPCWSA-N 1 1 346.521 3.646 40 0 EHABMO O=C([C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)N1CCc2ccccc21 ZINC000030946914 563911887 /nfs/dbraw/zinc/91/18/87/563911887.db2.gz CNZHTOQFNDCQJH-GOSISDBHSA-N 1 1 338.426 3.627 40 0 EHABMO [NH3+]C[C@H]1CC[C@H]([C@H](NCc2cccc(F)c2)c2ccccn2)CC1 ZINC000257214784 563967154 /nfs/dbraw/zinc/96/71/54/563967154.db2.gz CNKULNYGOMGBTJ-KNBMTAEXSA-N 1 1 327.447 3.817 40 0 EHABMO Cc1ccc(C2(C(=O)N3CCC[C@]4(CC[N@@H+]4CC(C)C)C3)CC2)cc1 ZINC000585102390 563971523 /nfs/dbraw/zinc/97/15/23/563971523.db2.gz ZEGWHMCVKPYCBD-NRFANRHFSA-N 1 1 340.511 3.750 40 0 EHABMO Fc1cccc(N[C@H]2CO[C@@]3(CC[N@@H+](Cc4cccs4)C3)C2)c1 ZINC000096047578 563978227 /nfs/dbraw/zinc/97/82/27/563978227.db2.gz DCSMHJYMKBDLGL-AEFFLSMTSA-N 1 1 332.444 3.733 40 0 EHABMO Cc1ccc(C[N@H+]2CCC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)s1 ZINC000096048250 563978377 /nfs/dbraw/zinc/97/83/77/563978377.db2.gz DPHIXUKXHVKHPN-HKUYNNGSSA-N 1 1 344.480 3.654 40 0 EHABMO CN(Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccsc1)CC2 ZINC000096048003 563978384 /nfs/dbraw/zinc/97/83/84/563978384.db2.gz MIBLPZQLZIPZTQ-KRWDZBQOSA-N 1 1 346.496 3.597 40 0 EHABMO O=C1N(Cc2cccc(F)c2)CC[C@@]12CC[N@@H+](Cc1ccsc1)C2 ZINC000096050616 563978484 /nfs/dbraw/zinc/97/84/84/563978484.db2.gz AIBQLIQQLHMOJE-LJQANCHMSA-N 1 1 344.455 3.512 40 0 EHABMO Cc1ccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)c4ccsc4)C3)C2)o1 ZINC000096215897 563980266 /nfs/dbraw/zinc/98/02/66/563980266.db2.gz UNBBRCMDZTUPTF-LJQANCHMSA-N 1 1 344.480 3.778 40 0 EHABMO [NH3+][C@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1cccc(Cl)c1 ZINC000072227529 563985929 /nfs/dbraw/zinc/98/59/29/563985929.db2.gz XXNQIEPXRHEHMZ-KGLIPLIRSA-N 1 1 340.732 3.774 40 0 EHABMO [NH3+][C@@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000072227530 563985980 /nfs/dbraw/zinc/98/59/80/563985980.db2.gz UOSWDLRIYQFBGL-UONOGXRCSA-N 1 1 340.732 3.774 40 0 EHABMO Cc1cccc(C[NH+]2CCN(C(=S)Nc3ccccc3)CC2)c1 ZINC000013556519 564020250 /nfs/dbraw/zinc/02/02/50/564020250.db2.gz CKRMQYHBRMOFPX-UHFFFAOYSA-N 1 1 325.481 3.510 40 0 EHABMO CCc1ccc(CC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000225580248 564047956 /nfs/dbraw/zinc/04/79/56/564047956.db2.gz VAAFKWZJUFJPGN-UHFFFAOYSA-N 1 1 333.435 3.602 40 0 EHABMO CCOC(C)(C)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225647370 564048941 /nfs/dbraw/zinc/04/89/41/564048941.db2.gz AHRNJQUHNDZVAM-MRXNPFEDSA-N 1 1 348.487 3.551 40 0 EHABMO Cc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000257316488 564055332 /nfs/dbraw/zinc/05/53/32/564055332.db2.gz VFVOXXXNWQSWQP-GOSISDBHSA-N 1 1 333.439 3.555 40 0 EHABMO C[C@H]1C[N@@H+](C)CC[C@H]1CCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000253601871 564124698 /nfs/dbraw/zinc/12/46/98/564124698.db2.gz GBOVVLCBJFNDBS-FUHWJXTLSA-N 1 1 337.467 3.854 40 0 EHABMO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000038834239 213228114 /nfs/dbraw/zinc/22/81/14/213228114.db2.gz HQBKRURKZWDYEG-MRXNPFEDSA-N 1 1 342.414 3.685 40 0 EHABMO CC(C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038832189 213227221 /nfs/dbraw/zinc/22/72/21/213227221.db2.gz XGFLQKRLDSZEPG-CYBMUJFWSA-N 1 1 329.271 3.730 40 0 EHABMO CC(C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038832189 213227224 /nfs/dbraw/zinc/22/72/24/213227224.db2.gz XGFLQKRLDSZEPG-CYBMUJFWSA-N 1 1 329.271 3.730 40 0 EHABMO C[N@@H+](Cc1ccc(Cl)nc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000072203344 216069525 /nfs/dbraw/zinc/06/95/25/216069525.db2.gz GQFJNTBRETZRAV-CQSZACIVSA-N 1 1 339.867 3.566 40 0 EHABMO CC(C)CC(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000072330386 216154700 /nfs/dbraw/zinc/15/47/00/216154700.db2.gz WKUPEBRNSDFFTQ-PXNSSMCTSA-N 1 1 331.504 3.653 40 0 EHABMO COc1ccccc1C[N@H+]1CCC[C@@H]1c1cccc(-n2ccnc2)n1 ZINC000072355489 216163566 /nfs/dbraw/zinc/16/35/66/216163566.db2.gz NSQDAIIUAOYYMH-GOSISDBHSA-N 1 1 334.423 3.613 40 0 EHABMO Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000072354664 216163908 /nfs/dbraw/zinc/16/39/08/216163908.db2.gz ZZOCZQAZXSXRCL-GOSISDBHSA-N 1 1 349.413 3.597 40 0 EHABMO c1ccc(CC[N@H+]2CCC[C@@H]2c2ccnc(Nc3ccccn3)n2)cc1 ZINC000072377557 216178803 /nfs/dbraw/zinc/17/88/03/216178803.db2.gz ARUFXDQNUUFUCV-LJQANCHMSA-N 1 1 345.450 3.995 40 0 EHABMO c1ccc(Oc2cncc([C@@H]3CCC[N@H+]3C3CCOCC3)n2)cc1 ZINC000072384260 216185321 /nfs/dbraw/zinc/18/53/21/216185321.db2.gz JHQDBWKUDVFDTA-SFHVURJKSA-N 1 1 325.412 3.585 40 0 EHABMO c1cncc(-c2nnc([C@H]3CCC[N@H+](CC4CCCCC4)C3)o2)c1 ZINC000072389988 216189331 /nfs/dbraw/zinc/18/93/31/216189331.db2.gz INOMNXRYKXBYLL-KRWDZBQOSA-N 1 1 326.444 3.891 40 0 EHABMO COc1cccc(NC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000225761495 242023907 /nfs/dbraw/zinc/02/39/07/242023907.db2.gz CFVVDSMGVKEWIW-UHFFFAOYSA-N 1 1 336.395 3.511 40 0 EHABMO c1cc2c(cccc2C[C@H]2COCC[N@@H+](Cc3cncs3)C2)o1 ZINC000257235345 244226659 /nfs/dbraw/zinc/22/66/59/244226659.db2.gz GXKMVHXHQXUHNR-CQSZACIVSA-N 1 1 328.437 3.580 40 0 EHABMO CC(C)n1cc(-c2cncc(C[C@H]3CCC[N@H+](C(C)C)C3)n2)cn1 ZINC000257271561 244380005 /nfs/dbraw/zinc/38/00/05/244380005.db2.gz MYUWHSKJMPWJGQ-MRXNPFEDSA-N 1 1 327.476 3.584 40 0 EHABMO COCC[N@@H+](CC1(c2ccc(F)cc2)CCCC1)C1CCN(C)CC1 ZINC000019588127 212049004 /nfs/dbraw/zinc/04/90/04/212049004.db2.gz XVSZQPFXOHIMAE-UHFFFAOYSA-N 1 1 348.506 3.680 40 0 EHABMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1ccccc1OC ZINC000019527222 212038109 /nfs/dbraw/zinc/03/81/09/212038109.db2.gz MNEITHTXZPGMOW-FQEVSTJZSA-N 1 1 339.483 3.577 40 0 EHABMO Cc1ncc(-c2ccncc2)c([C@H]2CCC[N@@H+](Cc3ccncc3)C2)n1 ZINC000019286855 212009881 /nfs/dbraw/zinc/00/98/81/212009881.db2.gz ZWKXNIDOKPRLEP-IBGZPJMESA-N 1 1 345.450 3.622 40 0 EHABMO CCn1nc(C)c(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(C(C)C)ncc23)c1C ZINC000012188165 211313407 /nfs/dbraw/zinc/31/34/07/211313407.db2.gz BXLRWHRNQYLZQB-HNAYVOBHSA-N 1 1 339.487 3.695 40 0 EHABMO CCn1nc(C)c(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(C(C)C)ncc23)c1C ZINC000012188165 211313413 /nfs/dbraw/zinc/31/34/13/211313413.db2.gz BXLRWHRNQYLZQB-HNAYVOBHSA-N 1 1 339.487 3.695 40 0 EHABMO C[N@@H+](CCO)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118918441 221204328 /nfs/dbraw/zinc/20/43/28/221204328.db2.gz NINCEUANGIAEBE-KGIOUCCPSA-N 1 1 349.559 3.683 40 0 EHABMO CCNc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(F)c(OC)c2)nc(C)n1 ZINC000257259963 535522107 /nfs/dbraw/zinc/52/21/07/535522107.db2.gz LAUKFCJDUBCDJQ-KRWDZBQOSA-N 1 1 344.434 3.702 40 0 EHABMO CCNc1cc([C@@H]2CCC[N@H+]2Cc2ccc(F)c(OC)c2)nc(C)n1 ZINC000257259963 535522114 /nfs/dbraw/zinc/52/21/14/535522114.db2.gz LAUKFCJDUBCDJQ-KRWDZBQOSA-N 1 1 344.434 3.702 40 0 EHABMO Cc1ccc(C[N@H+]2Cc3ccccc3OC3(CCC(CO)CC3)C2)o1 ZINC000012126513 563654308 /nfs/dbraw/zinc/65/43/08/563654308.db2.gz OHAJTAJQDRWTQS-UHFFFAOYSA-N 1 1 341.451 3.904 40 0 EHABMO COc1ccc(OC[C@H](O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c(C(C)(C)C)c1 ZINC000006008123 563950095 /nfs/dbraw/zinc/95/00/95/563950095.db2.gz SAAKIWVYERLGFF-IXDOHACOSA-N 1 1 349.515 3.710 40 0 EHABMO COC(=O)[C@]1(CC=C(C)C)C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1 ZINC000072341114 563966403 /nfs/dbraw/zinc/96/64/03/563966403.db2.gz FGXSYQLGFKLQMK-LQWHRVPQSA-N 1 1 341.451 3.508 40 0 EHABMO Cc1cccc(C[N@@H+]2C[C@@H]3C[C@@H](c4nc(C5CC5)cs4)O[C@@H]3C2)n1 ZINC000096045849 563977989 /nfs/dbraw/zinc/97/79/89/563977989.db2.gz NRDMAXPJBAUSGG-JCGIZDLHSA-N 1 1 341.480 3.686 40 0 EHABMO Cc1cccc(C[N@H+]2C[C@@H]3C[C@@H](c4nc(C5CC5)cs4)O[C@@H]3C2)n1 ZINC000096045849 563977990 /nfs/dbraw/zinc/97/79/90/563977990.db2.gz NRDMAXPJBAUSGG-JCGIZDLHSA-N 1 1 341.480 3.686 40 0 EHABMO O=C1CC[C@]2(CCC[N@@H+](CC3CC3)CC2)N1Cc1cccc(F)c1 ZINC000096047563 563978225 /nfs/dbraw/zinc/97/82/25/563978225.db2.gz JABYQZTYFQUUEV-FQEVSTJZSA-N 1 1 330.447 3.583 40 0 EHABMO Fc1ccc(CN2CCC3(CCC[N@H+]3Cc3cccnc3)CC2)cc1 ZINC000096049316 563978408 /nfs/dbraw/zinc/97/84/08/563978408.db2.gz KSFWPCUXSAPKTK-UHFFFAOYSA-N 1 1 339.458 3.851 40 0 EHABMO CC(C)CN1c2ccccc2[C@]2(CC[N@@H+](Cc3cccs3)C2)C1=O ZINC000096100294 563979171 /nfs/dbraw/zinc/97/91/71/563979171.db2.gz UCGNYNHORXRBME-HXUWFJFHSA-N 1 1 340.492 3.894 40 0 EHABMO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)c2ccccc2N(CC(C)C)C3=O)o1 ZINC000096100304 563979174 /nfs/dbraw/zinc/97/91/74/563979174.db2.gz KHIMWCSBWKUTGE-OAQYLSRUSA-N 1 1 338.451 3.734 40 0 EHABMO Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(c2ccc(C)nn2)C3)s1 ZINC000096216976 563980362 /nfs/dbraw/zinc/98/03/62/563980362.db2.gz XHPBHEZKMZQDTG-LJQANCHMSA-N 1 1 342.512 3.647 40 0 EHABMO Cc1ccc(C[N@H+]2CCC[C@]3(CCN(C(=O)c4ccsc4)C3)C2)o1 ZINC000096215894 563980398 /nfs/dbraw/zinc/98/03/98/563980398.db2.gz UNBBRCMDZTUPTF-IBGZPJMESA-N 1 1 344.480 3.778 40 0 EHABMO Cc1cccc(O[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccc3F)[C@H]2O)c1 ZINC000585288968 563981968 /nfs/dbraw/zinc/98/19/68/563981968.db2.gz LYZUZYQXUKONPG-PWRODBHTSA-N 1 1 343.442 3.927 40 0 EHABMO CCOC(=O)c1ccc(-c2ccc(C[NH2+]CCN(CC)CC)o2)cc1 ZINC000022076240 564034164 /nfs/dbraw/zinc/03/41/64/564034164.db2.gz HSVDFMSLGDPJLL-UHFFFAOYSA-N 1 1 344.455 3.555 40 0 EHABMO Cc1[nH+]ccn1-c1ccc(CNC(=S)Nc2cccc(C)c2)cc1 ZINC000225455801 564046931 /nfs/dbraw/zinc/04/69/31/564046931.db2.gz ATTQNNYYQADKJP-UHFFFAOYSA-N 1 1 336.464 3.976 40 0 EHABMO CC[C@](C)(OC)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260814584 564052636 /nfs/dbraw/zinc/05/26/36/564052636.db2.gz KYFUHTDUENTHJV-JXFKEZNVSA-N 1 1 348.487 3.551 40 0 EHABMO Cc1ncc(-c2nccnc2[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1C ZINC000257326090 564055516 /nfs/dbraw/zinc/05/55/16/564055516.db2.gz WVTJYUMRDDUYIJ-GOSISDBHSA-N 1 1 347.466 3.565 40 0 EHABMO Clc1ncccc1-c1noc(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)n1 ZINC000253492698 564124639 /nfs/dbraw/zinc/12/46/39/564124639.db2.gz QVJFQLVCYIEWOD-GXTWGEPZSA-N 1 1 332.835 3.940 40 0 EHABMO COc1cccc([C@H]([NH3+])c2nnc(-c3cccc(C(F)(F)F)c3)[nH]2)c1 ZINC000095533576 564141615 /nfs/dbraw/zinc/14/16/15/564141615.db2.gz YGFLICKEHKPPPO-AWEZNQCLSA-N 1 1 348.328 3.547 40 0 EHABMO C[N@H+]1CC[C@@H]2[C@H](C1)c1ccccc1N2C(=O)c1cc2ccccc2o1 ZINC000252444383 1128960400 /nfs/dbraw/zinc/96/04/00/1128960400.db2.gz OKNPEAZTEBJDNZ-SJLPKXTDSA-N 1 1 332.403 3.881 40 0 EHABMO O=C(Nc1ccc(F)cc1F)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038853582 213227732 /nfs/dbraw/zinc/22/77/32/213227732.db2.gz MNMDSFHBKYRPJC-CQSZACIVSA-N 1 1 348.368 3.955 40 0 EHABMO COc1ccc(C[N@H+]2CCC[C@@H](c3cccc(-n4ccnc4)n3)C2)cc1 ZINC000072378685 216181800 /nfs/dbraw/zinc/18/18/00/216181800.db2.gz MVODCBVWAMWISG-GOSISDBHSA-N 1 1 348.450 3.656 40 0 EHABMO FC(F)(F)c1cccc(-c2noc([C@H]3CC[N@@H+](CC4CC4)C3)n2)c1 ZINC000072369966 216178034 /nfs/dbraw/zinc/17/80/34/216178034.db2.gz ORUMRJAMFDZVNR-ZDUSSCGKSA-N 1 1 337.345 3.955 40 0 EHABMO Fc1cccc(C[N@H+]2CCC[C@H](c3nnc(-c4ccncc4)o3)C2)c1 ZINC000072389963 216189733 /nfs/dbraw/zinc/18/97/33/216189733.db2.gz MAYKABIKCWYXKU-INIZCTEOSA-N 1 1 338.386 3.650 40 0 EHABMO CN(C)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cn(C)c2ccccc12 ZINC000072395129 216193304 /nfs/dbraw/zinc/19/33/04/216193304.db2.gz KPDHBNGBNTXLDE-IRLDBZIGSA-N 1 1 333.479 3.708 40 0 EHABMO Cn1cc([C@H]2CN(Cc3ccccc3)C[C@@H]2[NH+](C)C)c2ccccc21 ZINC000072395129 216193309 /nfs/dbraw/zinc/19/33/09/216193309.db2.gz KPDHBNGBNTXLDE-IRLDBZIGSA-N 1 1 333.479 3.708 40 0 EHABMO CC(C)Oc1ccc(NC(=S)NCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225737500 242013351 /nfs/dbraw/zinc/01/33/51/242013351.db2.gz HJDMYMYSIURBQN-MRXNPFEDSA-N 1 1 349.544 3.882 40 0 EHABMO c1ccc(C[N@H+]2CCCC[C@@H]2c2ccnc(Nc3cnccn3)n2)cc1 ZINC000257332043 244552085 /nfs/dbraw/zinc/55/20/85/244552085.db2.gz XVMTZPYZPVFFHN-GOSISDBHSA-N 1 1 346.438 3.737 40 0 EHABMO FC(F)c1cc([C@H]2CCC[N@@H+](CC3CCCCC3)C2)nc2ncnn21 ZINC000012406882 211370760 /nfs/dbraw/zinc/37/07/60/211370760.db2.gz OUFXIPXRHCCSKZ-AWEZNQCLSA-N 1 1 349.429 3.822 40 0 EHABMO CCCn1nc(C)c(C[N@H+](Cc2sccc2C)C[C@@H](C)O)c1C ZINC000012185496 211314306 /nfs/dbraw/zinc/31/43/06/211314306.db2.gz AZLKHSHJXSNGJT-CQSZACIVSA-N 1 1 335.517 3.663 40 0 EHABMO Cc1nccc(-c2ccc(-c3noc(C[N@@H+]4CCCC[C@H]4C)n3)cc2)n1 ZINC000012186099 211312874 /nfs/dbraw/zinc/31/28/74/211312874.db2.gz BXRHSDYEUYJCNG-CQSZACIVSA-N 1 1 349.438 3.876 40 0 EHABMO CC(C)CNC(=S)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C1CCCCC1 ZINC000004887661 210312937 /nfs/dbraw/zinc/31/29/37/210312937.db2.gz IUGCEJHLLWZOAO-ZNXRZULTSA-N 1 1 337.577 3.825 40 0 EHABMO O=C(Nc1ccc(F)c(F)c1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000030938387 563911803 /nfs/dbraw/zinc/91/18/03/563911803.db2.gz KXNMCLNAZOUVHG-AWEZNQCLSA-N 1 1 348.368 3.955 40 0 EHABMO C=Cn1ncc(C[N@@H+](CCCn2ccnc2)C[C@H]2CC=CCC2)c1C ZINC000043277741 563925522 /nfs/dbraw/zinc/92/55/22/563925522.db2.gz LIYAXQDCXWCWDK-IBGZPJMESA-N 1 1 339.487 3.737 40 0 EHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccccc1Cl ZINC000044883860 563927380 /nfs/dbraw/zinc/92/73/80/563927380.db2.gz KTCBXEHSUBTKIK-UHFFFAOYSA-N 1 1 325.799 3.764 40 0 EHABMO O=c1c(C[N@H+](CCO)Cc2cccs2)coc2ccc(Cl)cc12 ZINC000057822659 563936075 /nfs/dbraw/zinc/93/60/75/563936075.db2.gz QGTCEZXAEPQATP-UHFFFAOYSA-N 1 1 349.839 3.502 40 0 EHABMO O=c1c(C[N@@H+](CCO)Cc2cccs2)coc2ccc(Cl)cc12 ZINC000057822659 563936076 /nfs/dbraw/zinc/93/60/76/563936076.db2.gz QGTCEZXAEPQATP-UHFFFAOYSA-N 1 1 349.839 3.502 40 0 EHABMO CCn1c2ccccc2nc1C[NH+]1CCC(O)(c2cccc(C)c2)CC1 ZINC000057822738 563936092 /nfs/dbraw/zinc/93/60/92/563936092.db2.gz OPJMPCOZVIWFNT-UHFFFAOYSA-N 1 1 349.478 3.848 40 0 EHABMO C[N@H+]1CC[C@@]12CCCN(C(=O)c1ccc(Oc3ccccc3)cc1)C2 ZINC000585102332 563971530 /nfs/dbraw/zinc/97/15/30/563971530.db2.gz XEBIHTVEMVHUAG-OAQYLSRUSA-N 1 1 336.435 3.789 40 0 EHABMO Fc1cccc(N2CCC[C@@]3(C2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC000096049069 563978350 /nfs/dbraw/zinc/97/83/50/563978350.db2.gz MYXDPHFVOFCWHE-IBGZPJMESA-N 1 1 346.471 3.759 40 0 EHABMO Fc1cccc(N2CCC[C@@]3(C2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC000096049069 563978351 /nfs/dbraw/zinc/97/83/51/563978351.db2.gz MYXDPHFVOFCWHE-IBGZPJMESA-N 1 1 346.471 3.759 40 0 EHABMO Cc1ccc(N2C[C@]3(CC[N@@H+](Cc4cccs4)C3)CC2=O)s1 ZINC000096050858 563978481 /nfs/dbraw/zinc/97/84/81/563978481.db2.gz BXTFZDMFGIHFPF-QGZVFWFLSA-N 1 1 332.494 3.747 40 0 EHABMO Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)s1 ZINC000096055439 563978673 /nfs/dbraw/zinc/97/86/73/563978673.db2.gz ULHVZKGBOYPKKL-RYQLBKOJSA-N 1 1 344.480 3.510 40 0 EHABMO CC(C)C[N@H+]1CCC[C@]12CCCN(C(=O)Cc1ccc(Cl)cc1)C2 ZINC000096071319 563979059 /nfs/dbraw/zinc/97/90/59/563979059.db2.gz WDRHNRTVBVHALT-FQEVSTJZSA-N 1 1 348.918 3.996 40 0 EHABMO COc1ccc(C[C@H]2C[N@H+](Cc3nc(C)cs3)CC[C@@H]2OC)cc1 ZINC000096110576 563979319 /nfs/dbraw/zinc/97/93/19/563979319.db2.gz JFQZITPXYUVWRP-WMZOPIPTSA-N 1 1 346.496 3.540 40 0 EHABMO [NH3+][C@H]1C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000072227660 563985958 /nfs/dbraw/zinc/98/59/58/563985958.db2.gz ARNLBCJANCBNPK-ZIAGYGMSSA-N 1 1 325.170 3.548 40 0 EHABMO [NH3+][C@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(Cl)cc1 ZINC000072227533 563985964 /nfs/dbraw/zinc/98/59/64/563985964.db2.gz UOSWDLRIYQFBGL-KGLIPLIRSA-N 1 1 340.732 3.774 40 0 EHABMO [NH3+][C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000072227256 563985970 /nfs/dbraw/zinc/98/59/70/563985970.db2.gz YETXTGKMLZTTCQ-ZIAGYGMSSA-N 1 1 325.170 3.548 40 0 EHABMO Cc1ccc(N2C(=O)[C@H]([NH3+])[C@@H]2c2ccc(C(F)(F)F)cc2)cc1C ZINC000072227881 563986032 /nfs/dbraw/zinc/98/60/32/563986032.db2.gz LCGQAEORBBTNAE-CVEARBPZSA-N 1 1 334.341 3.737 40 0 EHABMO COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)c1C ZINC000008266870 564006988 /nfs/dbraw/zinc/00/69/88/564006988.db2.gz YEULFUWZDQGUGA-OWCLPIDISA-N 1 1 346.471 3.501 40 0 EHABMO COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)c1C ZINC000008266870 564006989 /nfs/dbraw/zinc/00/69/89/564006989.db2.gz YEULFUWZDQGUGA-OWCLPIDISA-N 1 1 346.471 3.501 40 0 EHABMO CCCCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000188961897 564025175 /nfs/dbraw/zinc/02/51/75/564025175.db2.gz XAIYPUXHQRIIRS-UHFFFAOYSA-N 1 1 340.870 3.998 40 0 EHABMO c1cc2n(c1)C[C@H](OCc1ccncc1)C[N@@H+](Cc1ccsc1)C2 ZINC000247958920 564052870 /nfs/dbraw/zinc/05/28/70/564052870.db2.gz NOLSKKTZMDZKBJ-LJQANCHMSA-N 1 1 339.464 3.546 40 0 EHABMO c1cc2n(c1)C[C@H](OCc1ccncc1)C[N@H+](Cc1ccsc1)C2 ZINC000247958920 564052871 /nfs/dbraw/zinc/05/28/71/564052871.db2.gz NOLSKKTZMDZKBJ-LJQANCHMSA-N 1 1 339.464 3.546 40 0 EHABMO Cc1ncsc1C[N@H+]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]2C1 ZINC000257289314 564054828 /nfs/dbraw/zinc/05/48/28/564054828.db2.gz PYCDZOVCGHLCPX-PIIMJCKOSA-N 1 1 328.481 3.879 40 0 EHABMO CC(=O)N1CC[N@@H+](Cc2ccc3ncccc3c2)C[C@@H]1c1ccccc1 ZINC000257299001 564055048 /nfs/dbraw/zinc/05/50/48/564055048.db2.gz ROHDMKAZDYLOPK-JOCHJYFZSA-N 1 1 345.446 3.640 40 0 EHABMO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@@H]2C[N@@H+](C3CCC3)C[C@@H]21 ZINC000306129942 564062221 /nfs/dbraw/zinc/06/22/21/564062221.db2.gz IRFNKESBWFMDJM-WMZOPIPTSA-N 1 1 345.489 3.523 40 0 EHABMO c1coc(C[N@H+]2CC[C@@]3(CN(Cc4ccccc4)c4cccnc43)C2)c1 ZINC000306132541 564062272 /nfs/dbraw/zinc/06/22/72/564062272.db2.gz LLQCXQYMFOAXGE-QFIPXVFZSA-N 1 1 345.446 3.839 40 0 EHABMO CCC[N@@H+]1CC=C(c2nn3c(nnc3-c3ccc(C)cc3)s2)CC1 ZINC000226250203 564117219 /nfs/dbraw/zinc/11/72/19/564117219.db2.gz FQRXLFGWRPFXQK-UHFFFAOYSA-N 1 1 339.468 3.660 40 0 EHABMO O=C1OC[C@@H]2CC[N@H+](CC3CCCCC3)Cc3ccc(F)cc3N12 ZINC000225486418 564135217 /nfs/dbraw/zinc/13/52/17/564135217.db2.gz QFSHJMREGNKKNB-KRWDZBQOSA-N 1 1 332.419 3.937 40 0 biogenic,in-vitro EHABMO Cc1cccc(O[C@@H](C)C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000036092705 213061866 /nfs/dbraw/zinc/06/18/66/213061866.db2.gz ZACLFWBUOYVFJD-FCEWJHQRSA-N 1 1 346.515 3.555 40 0 EHABMO O=C(c1ccccc1)[C@H]1C[NH+]=C(Nc2c(Cl)cccc2Cl)N1 ZINC000072266866 216086790 /nfs/dbraw/zinc/08/67/90/216086790.db2.gz YDPKIOHPHRXVGL-CYBMUJFWSA-N 1 1 334.206 3.616 40 0 in-man EHABMO O=C(C1CCCC1)N1C[C@@H]2CCCC[N@@H+](CCc3ccccc3)[C@@H]2C1 ZINC000072330640 216155088 /nfs/dbraw/zinc/15/50/88/216155088.db2.gz SIFRKOGIWBFTAK-LEWJYISDSA-N 1 1 340.511 3.732 40 0 EHABMO Cc1nccn1-c1cccc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000072379087 216181906 /nfs/dbraw/zinc/18/19/06/216181906.db2.gz XZOVMJGYHPFTBQ-LJQANCHMSA-N 1 1 332.451 3.955 40 0 EHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)Cc1ccc(C)c(C)c1 ZINC000022527992 212304836 /nfs/dbraw/zinc/30/48/36/212304836.db2.gz ZJTUGFLRMKRSSH-UHFFFAOYSA-N 1 1 333.435 3.656 40 0 EHABMO CCc1ccc(NC(=S)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225727620 242008414 /nfs/dbraw/zinc/00/84/14/242008414.db2.gz DLAHCYFPKKHARR-IYBDPMFKSA-N 1 1 333.545 3.903 40 0 EHABMO COc1ccc(/C=C/C(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1 ZINC000020454908 212132232 /nfs/dbraw/zinc/13/22/32/212132232.db2.gz DOTWMEVMUYMHCM-FMIVXFBMSA-N 1 1 347.418 3.519 40 0 EHABMO Cc1[nH+]ccn1CCCn1cncc1-c1ccc2c(c1)C[C@@H](C)N2C ZINC000019719462 212057579 /nfs/dbraw/zinc/05/75/79/212057579.db2.gz SDOIIZQBBZMWNT-OAHLLOKOSA-N 1 1 335.455 3.526 40 0 EHABMO C[N@@H+](CCn1cncc1-c1c[nH]nc1-c1ccccc1)C1CCCC1 ZINC000019719564 212057704 /nfs/dbraw/zinc/05/77/04/212057704.db2.gz MUOFMIPYUDHZTA-UHFFFAOYSA-N 1 1 335.455 3.815 40 0 EHABMO C[NH+]1CCC2(CC1)CN(Cc1cccc(F)c1)Cc1ccccc1O2 ZINC000019588424 212048085 /nfs/dbraw/zinc/04/80/85/212048085.db2.gz LFOZLYYEWWUNNB-UHFFFAOYSA-N 1 1 340.442 3.685 40 0 EHABMO Cc1[nH+]ccn1CCC(=O)Nc1nc(-c2ccc(F)c(C)c2)cs1 ZINC000019570856 212043853 /nfs/dbraw/zinc/04/38/53/212043853.db2.gz GVJGTHHZFVMBDQ-UHFFFAOYSA-N 1 1 344.415 3.791 40 0 EHABMO Cc1c(C[N@H+](C)[C@@H](C)Cc2ccccn2)cnn1Cc1ccccc1 ZINC000019554473 212040475 /nfs/dbraw/zinc/04/04/75/212040475.db2.gz DQIMXMSIQOXRLV-KRWDZBQOSA-N 1 1 334.467 3.698 40 0 EHABMO O[C@@H](C[N@H+]1CCC[C@@H](COc2ccccc2F)C1)c1cccs1 ZINC000019350253 212019845 /nfs/dbraw/zinc/01/98/45/212019845.db2.gz QCNGGSIXHAHXHM-ZBFHGGJFSA-N 1 1 335.444 3.712 40 0 EHABMO CC1(C)CC(N(Cc2cnc[nH]2)Cc2ccc(F)cc2)CC(C)(C)[NH2+]1 ZINC000012147055 211306731 /nfs/dbraw/zinc/30/67/31/211306731.db2.gz FVZPNOASNHEPDH-UHFFFAOYSA-N 1 1 344.478 3.860 40 0 EHABMO C[NH2+]CCCNCc1ccc(OCc2ccccc2Cl)c(OC)c1 ZINC000008377066 210942726 /nfs/dbraw/zinc/94/27/26/210942726.db2.gz ZPIGANXRERQCNK-UHFFFAOYSA-N 1 1 348.874 3.627 40 0 EHABMO C[N@H+]1CC[C@H](CSC(=O)[C@@](O)(c2ccccc2)C2CCCCC2)C1 ZINC000005047905 210374364 /nfs/dbraw/zinc/37/43/64/210374364.db2.gz PHBXPVYYUPKNSU-OXJNMPFZSA-N 1 1 347.524 3.666 40 0 EHABMO COC(=O)C1=CCC[C@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@H]3C[C@H]12 ZINC000005048142 210374530 /nfs/dbraw/zinc/37/45/30/210374530.db2.gz DFDNBRUSLQYVNA-SOVGHPHASA-N 1 1 336.435 3.596 40 0 EHABMO CC(C)Nc1nc(N2CCc3cc(Cl)ccc3C2)cc(C2CC2)[nH+]1 ZINC000328989606 257908018 /nfs/dbraw/zinc/90/80/18/257908018.db2.gz IJZQVOSCPUBVKI-UHFFFAOYSA-N 1 1 342.874 3.812 40 0 EHABMO CN1CCC([N@@H+]2CCC[C@@H]2c2ncc(Cc3cccc(F)c3)o2)CC1 ZINC000257213397 536339850 /nfs/dbraw/zinc/33/98/50/536339850.db2.gz CHKKSRHAGLSWMR-LJQANCHMSA-N 1 1 343.446 3.636 40 0 EHABMO CN1CCC([N@H+]2CCC[C@@H]2c2ncc(Cc3cccc(F)c3)o2)CC1 ZINC000257213397 536339854 /nfs/dbraw/zinc/33/98/54/536339854.db2.gz CHKKSRHAGLSWMR-LJQANCHMSA-N 1 1 343.446 3.636 40 0 EHABMO C[N@H+]1CC[C@@H](CSC(=O)[C@@](O)(c2ccccc2)C2CCCCC2)C1 ZINC000001710813 563406174 /nfs/dbraw/zinc/40/61/74/563406174.db2.gz PHBXPVYYUPKNSU-OXQOHEQNSA-N 1 1 347.524 3.666 40 0 EHABMO Cc1[nH+]ccn1CCCn1cncc1-c1ccc2c(c1)CCCN2C ZINC000019654592 563856459 /nfs/dbraw/zinc/85/64/59/563856459.db2.gz CFVPRJHAFNSGIV-UHFFFAOYSA-N 1 1 335.455 3.528 40 0 EHABMO Fc1ccc(C[N@H+]2CC[C@]3(C[C@@H](Nc4cccc(F)c4)CO3)C2)cc1 ZINC000096047594 563978289 /nfs/dbraw/zinc/97/82/89/563978289.db2.gz XWDSOENHFAHJIU-UXHICEINSA-N 1 1 344.405 3.810 40 0 EHABMO Fc1ccc(CN2C[C@@H]3C[NH+](Cc4cccc(F)c4)C[C@H]3C2)cc1 ZINC000096053871 563978684 /nfs/dbraw/zinc/97/86/84/563978684.db2.gz PNYZITIRFMNGIG-QZTJIDSGSA-N 1 1 328.406 3.529 40 0 EHABMO c1csc(C[N@@H+]2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)n1 ZINC000096061587 563978956 /nfs/dbraw/zinc/97/89/56/563978956.db2.gz RJYSRTXOGVIMCC-ZWKOTPCHSA-N 1 1 328.481 3.755 40 0 EHABMO Cc1ccc(C[N@H+]2CC[C@H]3C[C@@H](c4nnc(C5CC5)o4)O[C@@H]3C2)s1 ZINC000096070675 563979024 /nfs/dbraw/zinc/97/90/24/563979024.db2.gz ZYBVIJDYJCGYSQ-CWRNSKLLSA-N 1 1 345.468 3.669 40 0 EHABMO CC[NH+]1CCC2(CC1)C[C@H](NCc1cccnc1)c1ccccc1O2 ZINC000096079746 563979105 /nfs/dbraw/zinc/97/91/05/563979105.db2.gz OHDWIIGCNMPSGA-IBGZPJMESA-N 1 1 337.467 3.550 40 0 EHABMO Cc1nc(COCc2cnc3n2CC[N@H+](C2CCCC2)[C@@H]3C)cs1 ZINC000096217486 563980422 /nfs/dbraw/zinc/98/04/22/563980422.db2.gz UWPCJVCFAHXTAE-CYBMUJFWSA-N 1 1 346.500 3.684 40 0 EHABMO Cc1nc(COCc2cnc3n2CC[N@@H+](C2CCCC2)[C@@H]3C)cs1 ZINC000096217486 563980423 /nfs/dbraw/zinc/98/04/23/563980423.db2.gz UWPCJVCFAHXTAE-CYBMUJFWSA-N 1 1 346.500 3.684 40 0 EHABMO Cc1cccc(O[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccc(F)cc3)[C@H]2O)c1 ZINC000585288688 563982078 /nfs/dbraw/zinc/98/20/78/563982078.db2.gz HQRRAVMMYOBLJJ-PWRODBHTSA-N 1 1 343.442 3.927 40 0 EHABMO [NH3+][C@@H]1C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000072228246 563986043 /nfs/dbraw/zinc/98/60/43/563986043.db2.gz LIACJFRWLOHWLC-LSDHHAIUSA-N 1 1 339.197 3.543 40 0 EHABMO c1ccc(OCC[N@H+]2CC[C@@H](c3nc(-c4ccccc4)no3)C2)cc1 ZINC000072369825 563990978 /nfs/dbraw/zinc/99/09/78/563990978.db2.gz UTQWPTJYMWRNEY-QGZVFWFLSA-N 1 1 335.407 3.605 40 0 EHABMO CCN(Cc1ccccc1)C(=O)c1ccc(Cn2cc[nH+]c2C)cc1 ZINC000225299111 564045752 /nfs/dbraw/zinc/04/57/52/564045752.db2.gz FKUJBFSVYLBANH-UHFFFAOYSA-N 1 1 333.435 3.902 40 0 EHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCCSC2CCCC2)cc1 ZINC000225301552 564045776 /nfs/dbraw/zinc/04/57/76/564045776.db2.gz NWRLWHBQVDZTRE-UHFFFAOYSA-N 1 1 343.496 3.645 40 0 EHABMO Cc1[nH+]ccn1-c1ccc(CNC(=S)Nc2ccc(C)cc2)cc1 ZINC000225455848 564046963 /nfs/dbraw/zinc/04/69/63/564046963.db2.gz ZROGRWINKTWZLW-UHFFFAOYSA-N 1 1 336.464 3.976 40 0 EHABMO Cc1ccc(C[N@H+]2CCOC[C@H](Cc3ccc4[nH]ccc4c3)C2)cn1 ZINC000257283971 564054683 /nfs/dbraw/zinc/05/46/83/564054683.db2.gz PASAVNBNXYHKNL-LJQANCHMSA-N 1 1 335.451 3.562 40 0 EHABMO c1cnc(Nc2ccc([C@H]3CCCC[N@H+]3Cc3cccnc3)cn2)nc1 ZINC000257297850 564054984 /nfs/dbraw/zinc/05/49/84/564054984.db2.gz RIZWCONNYNLLMX-GOSISDBHSA-N 1 1 346.438 3.737 40 0 EHABMO c1cnc(Nc2ccc([C@H]3CCCC[N@@H+]3Cc3cccnc3)cn2)nc1 ZINC000257297850 564054985 /nfs/dbraw/zinc/05/49/85/564054985.db2.gz RIZWCONNYNLLMX-GOSISDBHSA-N 1 1 346.438 3.737 40 0 EHABMO Cc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3C3CCCCC3)n2)cc1F ZINC000015674306 564070514 /nfs/dbraw/zinc/07/05/14/564070514.db2.gz GOMIPRYIWJLZMV-WBVHZDCISA-N 1 1 345.418 3.625 40 0 biogenic,in-vitro EHABMO C[N@H+]1CCCCC[C@@H]2[C@@H]1CCN2C(=O)CCc1cccc(Cl)c1 ZINC000019712487 564128043 /nfs/dbraw/zinc/12/80/43/564128043.db2.gz CYHCLUQKKNUSTQ-ZWKOTPCHSA-N 1 1 334.891 3.748 40 0 EHABMO Cc1ccccc1O[C@H]1CCCC[C@H]1[N@H+]1CCN[C@@H]2CCCC[C@@H]21 ZINC000225714563 564150419 /nfs/dbraw/zinc/15/04/19/564150419.db2.gz AYRHIEIVWIXGOF-HDAAZOAOSA-N 1 1 328.500 3.901 40 0 EHABMO Cc1ccccc1O[C@H]1CCCC[C@H]1N1CC[NH2+][C@@H]2CCCC[C@@H]21 ZINC000225714563 564150420 /nfs/dbraw/zinc/15/04/20/564150420.db2.gz AYRHIEIVWIXGOF-HDAAZOAOSA-N 1 1 328.500 3.901 40 0 EHABMO C[N@H+]1CCC[C@@H](CNC(=O)/C=C/c2ccco2)[C@@H]1c1cccs1 ZINC000104145447 219352813 /nfs/dbraw/zinc/35/28/13/219352813.db2.gz OLGQEWYLKUJKMS-MFUPGOHSSA-N 1 1 330.453 3.554 40 0 EHABMO FC(F)(F)c1ccc2[nH]c([C@H]3CC[N@@H+](Cc4ccccn4)C3)nc2c1 ZINC000035446699 213028774 /nfs/dbraw/zinc/02/87/74/213028774.db2.gz LYCWJOGHXXWECF-LBPRGKRZSA-N 1 1 346.356 3.966 40 0 biogenic,in-vitro EHABMO FC(F)(F)c1ccc2nc([C@H]3CC[N@H+](Cc4ccccn4)C3)[nH]c2c1 ZINC000035446699 213028778 /nfs/dbraw/zinc/02/87/78/213028778.db2.gz LYCWJOGHXXWECF-LBPRGKRZSA-N 1 1 346.356 3.966 40 0 biogenic,in-vitro EHABMO FC(F)(F)c1ccc2nc([C@H]3CC[N@@H+](Cc4ccccn4)C3)[nH]c2c1 ZINC000035446699 213028782 /nfs/dbraw/zinc/02/87/82/213028782.db2.gz LYCWJOGHXXWECF-LBPRGKRZSA-N 1 1 346.356 3.966 40 0 biogenic,in-vitro EHABMO COc1ccccc1C[N@H+]1CC[C@H](c2nc3cc(F)ccc3[nH]2)C1 ZINC000035446602 213029238 /nfs/dbraw/zinc/02/92/38/213029238.db2.gz GSUUDDCXAMPFMB-AWEZNQCLSA-N 1 1 325.387 3.700 40 0 biogenic,in-vitro EHABMO COc1ccccc1C[N@@H+]1CC[C@H](c2nc3ccc(F)cc3[nH]2)C1 ZINC000035446602 213029242 /nfs/dbraw/zinc/02/92/42/213029242.db2.gz GSUUDDCXAMPFMB-AWEZNQCLSA-N 1 1 325.387 3.700 40 0 biogenic,in-vitro EHABMO COc1ccccc1C[N@H+]1CC[C@H](c2nc3ccc(F)cc3[nH]2)C1 ZINC000035446602 213029245 /nfs/dbraw/zinc/02/92/45/213029245.db2.gz GSUUDDCXAMPFMB-AWEZNQCLSA-N 1 1 325.387 3.700 40 0 biogenic,in-vitro EHABMO COc1c(C)cccc1C[N@H+]1CCC[C@@H]1c1cccc(-n2ccnc2)n1 ZINC000072366770 216171709 /nfs/dbraw/zinc/17/17/09/216171709.db2.gz OHTUGUDILZUIKQ-LJQANCHMSA-N 1 1 348.450 3.921 40 0 EHABMO CC(C)c1nccn1-c1cncc([C@H]2CCC[N@@H+]2Cc2ccccn2)n1 ZINC000072378627 216181819 /nfs/dbraw/zinc/18/18/19/216181819.db2.gz BHVOOFYJSOMJFH-GOSISDBHSA-N 1 1 348.454 3.518 40 0 EHABMO CC(C)c1nccn1-c1cncc([C@H]2CCC[N@H+]2Cc2ccccn2)n1 ZINC000072378627 216181822 /nfs/dbraw/zinc/18/18/22/216181822.db2.gz BHVOOFYJSOMJFH-GOSISDBHSA-N 1 1 348.454 3.518 40 0 EHABMO Clc1ccccc1C[N@H+]1CC[C@H](c2nc(-c3cccnc3)no2)C1 ZINC000072389885 216189474 /nfs/dbraw/zinc/18/94/74/216189474.db2.gz QBFQXWAFESYXMS-HNNXBMFYSA-N 1 1 340.814 3.775 40 0 EHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H](C)Oc1ccccc1C ZINC000020044651 212096785 /nfs/dbraw/zinc/09/67/85/212096785.db2.gz UDNUBKRNMKOJGI-MRXNPFEDSA-N 1 1 349.434 3.573 40 0 EHABMO C[N@H+]1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)c1ccccn1 ZINC000019590195 212049064 /nfs/dbraw/zinc/04/90/64/212049064.db2.gz CBKQBDBWQNGMQS-HMXCVIKNSA-N 1 1 349.478 3.564 40 0 EHABMO COc1ccc(C[N@H+]2CC[C@H](c3nc(-c4cccs4)no3)C2)cc1 ZINC000019554929 212040878 /nfs/dbraw/zinc/04/08/78/212040878.db2.gz YGLUDMUXRWIHLM-AWEZNQCLSA-N 1 1 341.436 3.796 40 0 EHABMO COCCOc1ccc(C[N@@H+]2CCc3sccc3[C@@H]2C)cc1OC ZINC000019498361 212032508 /nfs/dbraw/zinc/03/25/08/212032508.db2.gz CILVREVYRULDOX-AWEZNQCLSA-N 1 1 347.480 3.901 40 0 EHABMO COCCOc1ccc(C[N@H+]2CCc3sccc3[C@@H]2C)cc1OC ZINC000019498361 212032512 /nfs/dbraw/zinc/03/25/12/212032512.db2.gz CILVREVYRULDOX-AWEZNQCLSA-N 1 1 347.480 3.901 40 0 EHABMO COc1ccc(OC)c(C[N@@H+]2CCCCC[C@@H]2c2ccn(C)n2)c1 ZINC000019291062 212011778 /nfs/dbraw/zinc/01/17/78/212011778.db2.gz HXTPTJCJQMHHHU-GOSISDBHSA-N 1 1 329.444 3.555 40 0 EHABMO COc1ccc(OC)c(C[N@H+]2CCCCC[C@@H]2c2ccn(C)n2)c1 ZINC000019291062 212011779 /nfs/dbraw/zinc/01/17/79/212011779.db2.gz HXTPTJCJQMHHHU-GOSISDBHSA-N 1 1 329.444 3.555 40 0 EHABMO CC1CC[NH+]([C@H](c2nnnn2C2CCCCC2)c2ccccc2)CC1 ZINC000004847658 210299681 /nfs/dbraw/zinc/29/96/81/210299681.db2.gz XAUOJDZIRPRWKN-IBGZPJMESA-N 1 1 339.487 4.000 40 0 EHABMO C[N@@H+](CCO)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118918440 221204057 /nfs/dbraw/zinc/20/40/57/221204057.db2.gz NINCEUANGIAEBE-JOFXYRRGSA-N 1 1 349.559 3.683 40 0 EHABMO C[N@@H+]1[C@@H]2CC[C@H]1CC(OC(=O)C(c1ccccc1)c1ccccc1)C2 ZINC000000001315 563211371 /nfs/dbraw/zinc/21/13/71/563211371.db2.gz IUTYUDPWXQZWTH-YOFSQIOKSA-N 1 1 335.447 3.987 40 0 EHABMO O=C([C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)N1CCCCCC1 ZINC000000212253 563261226 /nfs/dbraw/zinc/26/12/26/563261226.db2.gz AMOVUYFZCHTGNU-KRWDZBQOSA-N 1 1 334.891 3.955 40 0 EHABMO CCC[NH+](CCC)CN1C(=O)S/C(=C/c2cccc(F)c2)C1=O ZINC000408718377 563614431 /nfs/dbraw/zinc/61/44/31/563614431.db2.gz VOYDNZCSJNHASH-RVDMUPIBSA-N 1 1 336.432 3.942 40 0 EHABMO Cc1cnc(-c2nc([C@H]3CCC[N@@H+](Cc4ccccc4C)C3)no2)cn1 ZINC000019237186 563855411 /nfs/dbraw/zinc/85/54/11/563855411.db2.gz SFZRCYUQOPFDDH-KRWDZBQOSA-N 1 1 349.438 3.523 40 0 EHABMO COC(=O)[C@@]1(CC=C(C)C)C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1 ZINC000072341115 563966420 /nfs/dbraw/zinc/96/64/20/563966420.db2.gz FGXSYQLGFKLQMK-LVCYWYKZSA-N 1 1 341.451 3.508 40 0 EHABMO Cc1ncsc1C[N@@H+]1Cc2cccn2C[C@@H](CCOCC2CC2)C1 ZINC000585095603 563971319 /nfs/dbraw/zinc/97/13/19/563971319.db2.gz ZSQZCJBLCBHZMV-KRWDZBQOSA-N 1 1 345.512 3.702 40 0 EHABMO O=C(N1CCC[C@@]2(CCC[N@@H+]2Cc2cccc(F)c2)CC1)C1(F)CC1 ZINC000585100419 563971340 /nfs/dbraw/zinc/97/13/40/563971340.db2.gz UCEOTGOBDJCUFW-LJQANCHMSA-N 1 1 348.437 3.675 40 0 EHABMO Cc1nc([C@H]2C[C@H]3C[N@@H+](Cc4ccncc4)CC[C@@H]3O2)sc1C ZINC000096045998 563977958 /nfs/dbraw/zinc/97/79/58/563977958.db2.gz XXYJMIXPPTZZKK-YESZJQIVSA-N 1 1 329.469 3.507 40 0 EHABMO CN(Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccsc1)CC2 ZINC000096048002 563978320 /nfs/dbraw/zinc/97/83/20/563978320.db2.gz MIBLPZQLZIPZTQ-QGZVFWFLSA-N 1 1 346.496 3.597 40 0 EHABMO O=C1C[C@@]2(CC[N@@H+](Cc3cccs3)C2)CN1c1cccc(F)c1 ZINC000096050712 563978516 /nfs/dbraw/zinc/97/85/16/563978516.db2.gz UOOZOFXDBYSZMD-GOSISDBHSA-N 1 1 330.428 3.516 40 0 EHABMO O=C(c1cccc(Cl)c1)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC000096159388 563979791 /nfs/dbraw/zinc/97/97/91/563979791.db2.gz UMYABWLPSVSZPH-UHFFFAOYSA-N 1 1 332.875 3.821 40 0 EHABMO Cc1ccc(CN2CC[C@@]3(C2)CCC[N@H+](CC2CCOCC2)C3)s1 ZINC000096215368 563980231 /nfs/dbraw/zinc/98/02/31/563980231.db2.gz NUASKEFUPHZHNI-FQEVSTJZSA-N 1 1 348.556 3.771 40 0 EHABMO Cc1ccc(CN2CC[C@@]3(C2)CCC[N@@H+](CC2CCOCC2)C3)s1 ZINC000096215368 563980232 /nfs/dbraw/zinc/98/02/32/563980232.db2.gz NUASKEFUPHZHNI-FQEVSTJZSA-N 1 1 348.556 3.771 40 0 EHABMO Cc1ccc(CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000096621647 563980886 /nfs/dbraw/zinc/98/08/86/563980886.db2.gz YEOCYTZMKKZCKF-UHFFFAOYSA-N 1 1 336.479 3.580 40 0 EHABMO Cc1ccoc1C(=O)N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccco3)[C@H]2C1 ZINC000107746097 563984168 /nfs/dbraw/zinc/98/41/68/563984168.db2.gz QBOZYILEXJSWSU-SZMVWBNQSA-N 1 1 342.439 3.554 40 0 EHABMO COc1cccc(-c2noc([C@H]3CC[N@@H+](CCc4ccccc4)C3)n2)c1 ZINC000072369862 563991001 /nfs/dbraw/zinc/99/10/01/563991001.db2.gz SXOFTQNAYDPANS-SFHVURJKSA-N 1 1 349.434 3.777 40 0 EHABMO FC(F)(F)c1ccc(C[N@H+]2CC[C@H](c3nc4cccnc4[nH]3)C2)cc1 ZINC000049168812 564032512 /nfs/dbraw/zinc/03/25/12/564032512.db2.gz DGLZYGYWNQHBTH-ZDUSSCGKSA-N 1 1 346.356 3.966 40 0 biogenic,in-vitro EHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=S)Nc1cccc(OC)c1 ZINC000225580809 564048001 /nfs/dbraw/zinc/04/80/01/564048001.db2.gz CETYISPNECPYQM-MRXNPFEDSA-N 1 1 335.517 3.636 40 0 EHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=S)Nc1c(F)cccc1F ZINC000225582403 564048007 /nfs/dbraw/zinc/04/80/07/564048007.db2.gz LVOANNZBEYEXKS-ZDUSSCGKSA-N 1 1 341.471 3.906 40 0 EHABMO Cc1cnc([C@H]2CCCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)s1 ZINC000257308201 564055214 /nfs/dbraw/zinc/05/52/14/564055214.db2.gz TVUYKPIMTVWFFO-HNNXBMFYSA-N 1 1 346.500 3.568 40 0 EHABMO Cc1noc(C)c1-c1ccc([C@H]2CCC[N@H+]2C2CCOCC2)nc1 ZINC000257333510 564055614 /nfs/dbraw/zinc/05/56/14/564055614.db2.gz YBVZQGPHXVFTAO-GOSISDBHSA-N 1 1 327.428 3.669 40 0 EHABMO Cc1ncsc1C[N@@H+]1CCC[C@H]1c1cccc(-c2cncn2C)n1 ZINC000257334816 564055663 /nfs/dbraw/zinc/05/56/63/564055663.db2.gz YHMIXYQJKYHLSW-INIZCTEOSA-N 1 1 339.468 3.584 40 0 EHABMO C[N@H+]1CCCC[C@@H]2N(C(=O)c3ccc4ccccc4n3)CCC[C@@]21C ZINC000257339946 564055790 /nfs/dbraw/zinc/05/57/90/564055790.db2.gz ZDWPASPQRZBQLC-FPOVZHCZSA-N 1 1 337.467 3.714 40 0 EHABMO Fc1cccc(C[N@@H+]2C[C@H]3Cc4ncc(-c5ccccc5)n4C[C@@H]3C2)c1 ZINC000306129804 564062196 /nfs/dbraw/zinc/06/21/96/564062196.db2.gz INLOTNQKIDUMJG-MOPGFXCFSA-N 1 1 347.437 3.994 40 0 EHABMO c1cc(C[N@H+]2C[C@@H]3Cn4c(-c5ccccc5)cnc4C[C@@H]3C2)cs1 ZINC000306138284 564062345 /nfs/dbraw/zinc/06/23/45/564062345.db2.gz RUEIFCZMGVIEFB-QZTJIDSGSA-N 1 1 335.476 3.916 40 0 EHABMO Cc1ccc(C[N@H+]2C[C@@H]3Cn4c(-c5cccnc5)cnc4[C@H]3C2)s1 ZINC000306143342 564062380 /nfs/dbraw/zinc/06/23/80/564062380.db2.gz XZQWBHARQRYLHK-WBVHZDCISA-N 1 1 336.464 3.544 40 0 EHABMO c1ccc(CO[C@@H]2CCCC[C@@H]2[N@H+]2CCN[C@H]3CCCC[C@@H]32)cc1 ZINC000252515467 564133806 /nfs/dbraw/zinc/13/38/06/564133806.db2.gz KHCKVAHSJRUZNI-XSDIEEQYSA-N 1 1 328.500 3.731 40 0 EHABMO c1ccc(CO[C@@H]2CCCC[C@@H]2N2CC[NH2+][C@H]3CCCC[C@@H]32)cc1 ZINC000252515467 564133807 /nfs/dbraw/zinc/13/38/07/564133807.db2.gz KHCKVAHSJRUZNI-XSDIEEQYSA-N 1 1 328.500 3.731 40 0 EHABMO COc1ccc([C@@H]([NH3+])c2nnc(-c3cccc(C(F)(F)F)c3)[nH]2)cc1 ZINC000095533719 564141674 /nfs/dbraw/zinc/14/16/74/564141674.db2.gz GYYKAQXIVABAMN-CQSZACIVSA-N 1 1 348.328 3.547 40 0 EHABMO COc1ccc([C@H]([NH3+])c2nnc(-c3ccc(C(C)(C)C)cc3)[nH]2)cc1 ZINC000095533741 564141701 /nfs/dbraw/zinc/14/17/01/564141701.db2.gz VVXNSBURJHBTHJ-KRWDZBQOSA-N 1 1 336.439 3.826 40 0 EHABMO CC(C)(C)OC(=O)NC1CC[NH+](Cc2ccc(F)c(Cl)c2)CC1 ZINC000067801012 215215521 /nfs/dbraw/zinc/21/55/21/215215521.db2.gz JSMNSKBKWQGQRQ-UHFFFAOYSA-N 1 1 342.842 3.968 40 0 EHABMO CNc1ccc(-c2noc([C@@H]3CCC[N@H+]3C3CCCCC3)n2)cn1 ZINC000035426102 213027737 /nfs/dbraw/zinc/02/77/37/213027737.db2.gz XNLRJOWZNSVXSG-HNNXBMFYSA-N 1 1 327.432 3.643 40 0 biogenic,in-vitro EHABMO CC(=O)Nc1ccc(C[N@H+]2CC[C@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000035446657 213029472 /nfs/dbraw/zinc/02/94/72/213029472.db2.gz CZCVZFBZFBXGGJ-INIZCTEOSA-N 1 1 334.423 3.511 40 0 biogenic,in-vitro EHABMO CCc1nccn1-c1cccc([C@H]2CCC[N@H+]2Cc2ccncc2)n1 ZINC000072355666 216163720 /nfs/dbraw/zinc/16/37/20/216163720.db2.gz SFMLPNLRJJQLNJ-GOSISDBHSA-N 1 1 333.439 3.562 40 0 EHABMO CCc1nccn1-c1cncc([C@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000072378665 216181336 /nfs/dbraw/zinc/18/13/36/216181336.db2.gz VBOUGGBPGJGUSF-GOSISDBHSA-N 1 1 333.439 3.562 40 0 EHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1 ZINC000216318882 241183814 /nfs/dbraw/zinc/18/38/14/241183814.db2.gz MBKWIIDIEIRUKF-MRXNPFEDSA-N 1 1 349.434 3.573 40 0 EHABMO Fc1ccc(Cc2cnc([C@H]3C[N@@H+](C4CCCC4)CCO3)o2)cc1 ZINC000257232682 244220588 /nfs/dbraw/zinc/22/05/88/244220588.db2.gz GLXZBYFIFBIEEG-GOSISDBHSA-N 1 1 330.403 3.720 40 0 EHABMO Fc1ccc(Cc2cnc([C@H]3C[N@H+](C4CCCC4)CCO3)o2)cc1 ZINC000257232682 244220593 /nfs/dbraw/zinc/22/05/93/244220593.db2.gz GLXZBYFIFBIEEG-GOSISDBHSA-N 1 1 330.403 3.720 40 0 EHABMO CCN1CC[NH+]([C@H](c2c(C)[nH]c3ccccc32)c2ccncc2)CC1 ZINC000020192863 212109321 /nfs/dbraw/zinc/10/93/21/212109321.db2.gz FFUNCPDGSUPTDM-NRFANRHFSA-N 1 1 334.467 3.598 40 0 EHABMO CC(C)n1cc(-c2nccnc2C[C@@H]2CCC[N@H+](C(C)C)C2)cn1 ZINC000257258534 244291309 /nfs/dbraw/zinc/29/13/09/244291309.db2.gz KUKQGHHTGCBKPB-INIZCTEOSA-N 1 1 327.476 3.584 40 0 EHABMO Cc1cn(C)c([C@H]2CCC[N@@H+](Cc3ccccc3N3CCCC3)C2)n1 ZINC000257264160 244355813 /nfs/dbraw/zinc/35/58/13/244355813.db2.gz LTEFHVCQBQVKFY-IBGZPJMESA-N 1 1 338.499 3.708 40 0 EHABMO CC(=O)N1[C@H](c2ccccc2)C[C@@H]2[C@@H]1CCCC[N@H+]2Cc1ccncc1 ZINC000257315423 244501476 /nfs/dbraw/zinc/50/14/76/244501476.db2.gz VBGMRNSPPYGRCA-FDFHNCONSA-N 1 1 349.478 3.798 40 0 EHABMO Cc1[nH]c2ccccc2c1Cc1cc(N[C@@H]2CCC[N@H+](C)C2)nc(C)n1 ZINC000019655572 212053151 /nfs/dbraw/zinc/05/31/51/212053151.db2.gz JWUQNZJJSQNHLW-MRXNPFEDSA-N 1 1 349.482 3.672 40 0 EHABMO Fc1ccc(C[N@H+]2CC[C@H](c3nc(-c4cccs4)no3)C2)cc1 ZINC000019344685 212017556 /nfs/dbraw/zinc/01/75/56/212017556.db2.gz MRCAFUMHGYKXIU-ZDUSSCGKSA-N 1 1 329.400 3.927 40 0 EHABMO O[C@](CC[NH+]1CCOCC1)(c1ccc(Cl)cc1)C1CCCCC1 ZINC000019332342 212016133 /nfs/dbraw/zinc/01/61/33/212016133.db2.gz WWXFMWHVRFPDMU-IBGZPJMESA-N 1 1 337.891 3.830 40 0 EHABMO O=c1oc2ccccc2n1[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000012119224 211297551 /nfs/dbraw/zinc/29/75/51/211297551.db2.gz MLYNIYYRDQZBFQ-OAHLLOKOSA-N 1 1 344.361 3.710 40 0 EHABMO O=c1oc2ccccc2n1[C@@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000012119224 211297554 /nfs/dbraw/zinc/29/75/54/211297554.db2.gz MLYNIYYRDQZBFQ-OAHLLOKOSA-N 1 1 344.361 3.710 40 0 EHABMO CC1CC[NH+]([C@@H](c2nnnn2C2CCCCC2)c2ccccc2)CC1 ZINC000004847659 210299691 /nfs/dbraw/zinc/29/96/91/210299691.db2.gz XAUOJDZIRPRWKN-LJQANCHMSA-N 1 1 339.487 4.000 40 0 EHABMO C[N@@H+](CCN)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118918352 221204001 /nfs/dbraw/zinc/20/40/01/221204001.db2.gz NDAWUPLIPPNPGL-KGIOUCCPSA-N 1 1 348.575 3.649 40 0 EHABMO CN(CC[NH3+])[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118918352 221204004 /nfs/dbraw/zinc/20/40/04/221204004.db2.gz NDAWUPLIPPNPGL-KGIOUCCPSA-N 1 1 348.575 3.649 40 0 EHABMO C[N@@H+](CCO)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118918443 221204024 /nfs/dbraw/zinc/20/40/24/221204024.db2.gz NINCEUANGIAEBE-ILEJNFISSA-N 1 1 349.559 3.683 40 0 EHABMO Nc1nc(N)c(CCCCc2ccccc2)c(Cc2ccccc2)[nH+]1 ZINC000013284888 563694212 /nfs/dbraw/zinc/69/42/12/563694212.db2.gz HUPMNOPXQPCXMA-UHFFFAOYSA-N 1 1 332.451 3.797 40 0 EHABMO Cc1cccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c1 ZINC000044912327 563928310 /nfs/dbraw/zinc/92/83/10/563928310.db2.gz NMKNOZZMCXGZKE-LJQANCHMSA-N 1 1 340.442 3.663 40 0 EHABMO CCOc1ccccc1CNC(=O)c1ccc(Cn2cc[nH+]c2C)cc1 ZINC000044931988 563928416 /nfs/dbraw/zinc/92/84/16/563928416.db2.gz ICWUZRJWQUHHDQ-UHFFFAOYSA-N 1 1 349.434 3.569 40 0 EHABMO CC(C)C[N@H+]1CCC[C@]2(CCC(=O)N2Cc2ccc(F)cc2)CC1 ZINC000585100632 563971350 /nfs/dbraw/zinc/97/13/50/563971350.db2.gz QXVHTVYFHBPGAB-FQEVSTJZSA-N 1 1 332.463 3.829 40 0 EHABMO COc1cccc2cc(C(=O)N3CCC[C@]4(CCC[N@H+]4C)CC3)oc21 ZINC000585099977 563971450 /nfs/dbraw/zinc/97/14/50/563971450.db2.gz BUTAKFOHVOQPSV-HXUWFJFHSA-N 1 1 342.439 3.532 40 0 EHABMO CC(C)CC[N@H+]1CC[C@H]2[C@@H]1CC(=O)N2Cc1ccc(F)cc1Cl ZINC000585109132 563971676 /nfs/dbraw/zinc/97/16/76/563971676.db2.gz XNYRNYBAQQTPPV-IRXDYDNUSA-N 1 1 338.854 3.700 40 0 EHABMO CC[C@@H]1[N@H+](Cc2cc(C)on2)CCC[C@]12CCC(=O)N2CC1CCC1 ZINC000096038511 563977965 /nfs/dbraw/zinc/97/79/65/563977965.db2.gz DTGSXYVRPMZVAQ-ICSRJNTNSA-N 1 1 345.487 3.519 40 0 EHABMO CC[C@@H]1[N@@H+](Cc2cc(C)on2)CCC[C@]12CCC(=O)N2CC1CCC1 ZINC000096038511 563977966 /nfs/dbraw/zinc/97/79/66/563977966.db2.gz DTGSXYVRPMZVAQ-ICSRJNTNSA-N 1 1 345.487 3.519 40 0 EHABMO CC(C)c1nccc([C@@H]2C[C@@H]3CC[N@@H+](Cc4ccco4)C[C@H]3O2)n1 ZINC000096046390 563978092 /nfs/dbraw/zinc/97/80/92/563978092.db2.gz GUUZZHYFEFPYEL-JCGIZDLHSA-N 1 1 327.428 3.545 40 0 EHABMO O=C1N(Cc2cccc(F)c2)CC[C@]12CC[N@@H+](Cc1cccs1)C2 ZINC000096050611 563978528 /nfs/dbraw/zinc/97/85/28/563978528.db2.gz OUMSEOHVYSPQCX-IBGZPJMESA-N 1 1 344.455 3.512 40 0 EHABMO O=C1N(Cc2cccc(F)c2)CC[C@]12CC[N@@H+](Cc1ccsc1)C2 ZINC000096050615 563978550 /nfs/dbraw/zinc/97/85/50/563978550.db2.gz AIBQLIQQLHMOJE-IBGZPJMESA-N 1 1 344.455 3.512 40 0 EHABMO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3cccs3)C[C@@H]12 ZINC000096058444 563978805 /nfs/dbraw/zinc/97/88/05/563978805.db2.gz MCCIKYFKNXEUPM-UXHICEINSA-N 1 1 340.492 3.513 40 0 EHABMO c1csc(C[N@@H+]2CC[C@]3(C2)COCCN(Cc2ccsc2)C3)c1 ZINC000096062392 563978982 /nfs/dbraw/zinc/97/89/82/563978982.db2.gz GVZVYQXXWZSODW-GOSISDBHSA-N 1 1 348.537 3.534 40 0 EHABMO Cc1ccc(C[N@H+]2CCC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)s1 ZINC000107730578 563984122 /nfs/dbraw/zinc/98/41/22/563984122.db2.gz DPHIXUKXHVKHPN-MJGOQNOKSA-N 1 1 344.480 3.654 40 0 EHABMO Cc1ccc(C[N@H+]2CC[C@@]3(C[C@@H](Nc4cccc(F)c4)CO3)C2)o1 ZINC000107728360 563984152 /nfs/dbraw/zinc/98/41/52/563984152.db2.gz PWISKJJIVVAGDI-IEBWSBKVSA-N 1 1 330.403 3.573 40 0 EHABMO c1cc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCC3CCCC3)C2)co1 ZINC000107752077 563984155 /nfs/dbraw/zinc/98/41/55/563984155.db2.gz ZPCCGJGMBOWHNR-UXHICEINSA-N 1 1 333.472 3.858 40 0 EHABMO [NH3+][C@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1Cl ZINC000072227524 563985968 /nfs/dbraw/zinc/98/59/68/563985968.db2.gz QQMVFDJSMQPLSV-ZIAGYGMSSA-N 1 1 340.732 3.774 40 0 EHABMO [NH3+][C@H]1C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1Cl ZINC000072228249 563986106 /nfs/dbraw/zinc/98/61/06/563986106.db2.gz LIACJFRWLOHWLC-CABCVRRESA-N 1 1 339.197 3.543 40 0 EHABMO c1ccc(OCC[N@H+]2CC[C@H](c3nc(-c4ccccc4)no3)C2)cc1 ZINC000072369826 563990981 /nfs/dbraw/zinc/99/09/81/563990981.db2.gz UTQWPTJYMWRNEY-KRWDZBQOSA-N 1 1 335.407 3.605 40 0 EHABMO CC[C@@H](Oc1ccccc1C)C(=O)NCCC[N@H+]1CCCC[C@H]1CC ZINC000260408606 563998095 /nfs/dbraw/zinc/99/80/95/563998095.db2.gz BZOPGCRCZISMFU-RTBURBONSA-N 1 1 346.515 3.923 40 0 EHABMO C[N@H+](Cc1ccc(OCc2ccccn2)cc1)C[C@@H](O)c1ccccc1 ZINC000257343216 563999667 /nfs/dbraw/zinc/99/96/67/563999667.db2.gz ZRYFMUPVGTTZOK-JOCHJYFZSA-N 1 1 348.446 3.826 40 0 EHABMO CCN(C(=O)Cc1ccc(F)cc1)[C@H]1C[N@@H+](C)C2(C1)CCCCC2 ZINC000019695644 564023698 /nfs/dbraw/zinc/02/36/98/564023698.db2.gz KILRTRDLMQIIET-GOSISDBHSA-N 1 1 332.463 3.624 40 0 EHABMO Clc1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4cccnc4)C3)o2)cc1 ZINC000049169437 564032519 /nfs/dbraw/zinc/03/25/19/564032519.db2.gz DDCGGVQRCXENJK-HNNXBMFYSA-N 1 1 340.814 3.775 40 0 biogenic,in-vitro EHABMO c1coc(C[N@H+]2CC[C@]3(CN(Cc4ccccc4)c4cccnc43)C2)c1 ZINC000306132540 564062234 /nfs/dbraw/zinc/06/22/34/564062234.db2.gz LLQCXQYMFOAXGE-JOCHJYFZSA-N 1 1 345.446 3.839 40 0 EHABMO O=C(OCc1ccccc1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC000575447508 564079799 /nfs/dbraw/zinc/07/97/99/564079799.db2.gz AUGRQMMVNGVQLT-UXHICEINSA-N 1 1 336.435 3.530 40 0 EHABMO COc1ccc([C@H](c2c(C)[nH]c3ccccc32)[NH+]2CCOCC2)cc1 ZINC000013060293 564085096 /nfs/dbraw/zinc/08/50/96/564085096.db2.gz LJAPRFPOVKLQIQ-OAQYLSRUSA-N 1 1 336.435 3.907 40 0 EHABMO CC[C@@H](Oc1ccc(Cl)cc1)C(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000584567012 564085906 /nfs/dbraw/zinc/08/59/06/564085906.db2.gz WTPAXDRULIZRDJ-YALNPMBYSA-N 1 1 337.847 3.666 40 0 EHABMO Cc1ccc([C@@H]([NH3+])c2nnc(-c3ccc(C(F)(F)F)cc3)[nH]2)cc1 ZINC000095534147 564141637 /nfs/dbraw/zinc/14/16/37/564141637.db2.gz JBUBOAKJBNWOGY-CQSZACIVSA-N 1 1 332.329 3.847 40 0 EHABMO O=C([C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1)N1CCCC1 ZINC000038832670 213226687 /nfs/dbraw/zinc/22/66/87/213226687.db2.gz TZXPGJYTIYEZHS-ZDUSSCGKSA-N 1 1 341.282 3.828 40 0 EHABMO CC(C)c1nccn1-c1cncc([C@@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000072378640 216181768 /nfs/dbraw/zinc/18/17/68/216181768.db2.gz GOQJYYXGNLCWIK-SFHVURJKSA-N 1 1 348.454 3.518 40 0 EHABMO CC(C)c1nccn1-c1cncc([C@@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000072378640 216181771 /nfs/dbraw/zinc/18/17/71/216181771.db2.gz GOQJYYXGNLCWIK-SFHVURJKSA-N 1 1 348.454 3.518 40 0 EHABMO Fc1ccc(C[N@H+]2CCC[C@@H](c3nnc(-c4cccnc4)o3)C2)cc1 ZINC000072389973 216189119 /nfs/dbraw/zinc/18/91/19/216189119.db2.gz JMEPCOKGZJETAP-MRXNPFEDSA-N 1 1 338.386 3.650 40 0 EHABMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1ccccc1F ZINC000022913872 212332394 /nfs/dbraw/zinc/33/23/94/212332394.db2.gz FKHFIJBVWCUUPB-IBGZPJMESA-N 1 1 327.447 3.707 40 0 EHABMO CC[NH+](CC)CCNCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000022075089 212276938 /nfs/dbraw/zinc/27/69/38/212276938.db2.gz BAMNDCQODHKJIX-UHFFFAOYSA-N 1 1 342.483 3.706 40 0 EHABMO Cc1nccc([C@H]2CCC[N@H+]2Cc2c[nH]nc2-c2cccs2)n1 ZINC000257215952 244167416 /nfs/dbraw/zinc/16/74/16/244167416.db2.gz CSKDPYODKXOKSX-OAHLLOKOSA-N 1 1 325.441 3.574 40 0 EHABMO Cc1noc(C)c1-c1nccc([C@H]2CCC[N@H+]2Cc2ccncc2C)n1 ZINC000257227182 244203370 /nfs/dbraw/zinc/20/33/70/244203370.db2.gz FOARKMRVOGGNNF-GOSISDBHSA-N 1 1 349.438 3.789 40 0 EHABMO Fc1ccc(Cc2cnc([C@@H]3C[N@@H+](C4CCCC4)CCO3)o2)cc1 ZINC000257232683 244219832 /nfs/dbraw/zinc/21/98/32/244219832.db2.gz GLXZBYFIFBIEEG-SFHVURJKSA-N 1 1 330.403 3.720 40 0 EHABMO Fc1ccc(Cc2cnc([C@@H]3C[N@H+](C4CCCC4)CCO3)o2)cc1 ZINC000257232683 244219837 /nfs/dbraw/zinc/21/98/37/244219837.db2.gz GLXZBYFIFBIEEG-SFHVURJKSA-N 1 1 330.403 3.720 40 0 EHABMO Cc1cccnc1Nc1cc([C@@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)ccn1 ZINC000257275682 244392306 /nfs/dbraw/zinc/39/23/06/244392306.db2.gz NQLOCIRZCJTFQW-QGZVFWFLSA-N 1 1 348.454 3.631 40 0 EHABMO Cc1cccnc1Nc1cc([C@@H]2CCC[N@H+](Cc3c[nH]cn3)C2)ccn1 ZINC000257275682 244392311 /nfs/dbraw/zinc/39/23/11/244392311.db2.gz NQLOCIRZCJTFQW-QGZVFWFLSA-N 1 1 348.454 3.631 40 0 EHABMO Cc1cccnc1Nc1cc([C@@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)ccn1 ZINC000257275682 244392315 /nfs/dbraw/zinc/39/23/15/244392315.db2.gz NQLOCIRZCJTFQW-QGZVFWFLSA-N 1 1 348.454 3.631 40 0 EHABMO C[N@@H+](CCn1cncc1-c1cnn(-c2ccccc2)c1)C1CCCC1 ZINC000019719633 212057316 /nfs/dbraw/zinc/05/73/16/212057316.db2.gz HDPCWJGPDJMTSV-UHFFFAOYSA-N 1 1 335.455 3.610 40 0 EHABMO C[C@@H]1CCCC[N@H+]1CC(C)(C)NC(=O)c1cc(-c2cccs2)on1 ZINC000019496359 212032740 /nfs/dbraw/zinc/03/27/40/212032740.db2.gz XTRSLEARKFBKTN-CYBMUJFWSA-N 1 1 347.484 3.786 40 0 EHABMO c1ccc(-c2noc([C@@H]3C[N@@H+](CC4CCCCC4)CCO3)n2)cc1 ZINC000019374353 212023820 /nfs/dbraw/zinc/02/38/20/212023820.db2.gz NXFVVEVOMDRHDM-KRWDZBQOSA-N 1 1 327.428 3.690 40 0 EHABMO COc1ccc(C[N@H+]2CCC[C@H]2c2cc3cccnc3[nH]2)c(OC)c1 ZINC000012222589 211323743 /nfs/dbraw/zinc/32/37/43/211323743.db2.gz MWQVMWPZEPGFAO-SFHVURJKSA-N 1 1 337.423 3.917 40 0 EHABMO O=c1oc2ccccc2n1[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012119060 211297803 /nfs/dbraw/zinc/29/78/03/211297803.db2.gz OYQVAVKSYBRXCY-OAHLLOKOSA-N 1 1 326.371 3.571 40 0 EHABMO CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000153889931 528962162 /nfs/dbraw/zinc/96/21/62/528962162.db2.gz AWSXAVNJENPDNV-ZDUSSCGKSA-N 1 1 340.870 3.852 40 0 EHABMO CC(C)Oc1cccc(NC(=S)NCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000225737549 535050323 /nfs/dbraw/zinc/05/03/23/535050323.db2.gz AVQILOGLBPSMDE-MRXNPFEDSA-N 1 1 349.544 3.882 40 0 EHABMO C[C@@H]1CCC[N@@H+](CCCNC(=S)Nc2ccccc2Cl)C1 ZINC000044080784 563926166 /nfs/dbraw/zinc/92/61/66/563926166.db2.gz QQBQNRYSUGDSKW-CYBMUJFWSA-N 1 1 325.909 3.748 40 0 EHABMO Cc1ccc(CN2C(=O)CC[C@]23CCC[N@H+](CC(C)C)CC3)cc1 ZINC000585100842 563971469 /nfs/dbraw/zinc/97/14/69/563971469.db2.gz YOYBREPCKLVCBP-NRFANRHFSA-N 1 1 328.500 3.998 40 0 EHABMO COc1ccc(N[C@H]2CO[C@@]3(CC[N@@H+](Cc4ccsc4)C3)C2)cc1 ZINC000096047612 563978253 /nfs/dbraw/zinc/97/82/53/563978253.db2.gz YKCPKELHLDNUBK-MJGOQNOKSA-N 1 1 344.480 3.602 40 0 EHABMO Fc1cccc(N[C@H]2CO[C@]3(CC[N@@H+](Cc4cccs4)C3)C2)c1 ZINC000096047576 563978294 /nfs/dbraw/zinc/97/82/94/563978294.db2.gz DCSMHJYMKBDLGL-SJLPKXTDSA-N 1 1 332.444 3.733 40 0 EHABMO c1csc(C[NH+]2CCC3(CC2)CN(Cc2ccccc2)CCO3)c1 ZINC000096048947 563978312 /nfs/dbraw/zinc/97/83/12/563978312.db2.gz GFODEHCXGXOQQK-UHFFFAOYSA-N 1 1 342.508 3.615 40 0 EHABMO O=C1N(c2ccsc2)CC[C@]12CCC[N@@H+](Cc1ccsc1)C2 ZINC000096048736 563978389 /nfs/dbraw/zinc/97/83/89/563978389.db2.gz RQYGAIHPDANFEQ-KRWDZBQOSA-N 1 1 332.494 3.829 40 0 EHABMO Cc1occc1C(=O)N1CCC2(CC([N@@H+](C)Cc3ccco3)C2)CC1 ZINC000096159255 563979785 /nfs/dbraw/zinc/97/97/85/563979785.db2.gz LGXLWZGNNPPVJI-UHFFFAOYSA-N 1 1 342.439 3.698 40 0 EHABMO c1cc(C[N@@H+]2CC[C@H]3OCC[C@@]3(CCNc3ccccn3)C2)cs1 ZINC000096206100 563980127 /nfs/dbraw/zinc/98/01/27/563980127.db2.gz UCCQBDWQTKSKTN-MJGOQNOKSA-N 1 1 343.496 3.626 40 0 EHABMO c1coc(COCc2ncn3c2C[N@H+](Cc2cccs2)CCC3)c1 ZINC000096259988 563980621 /nfs/dbraw/zinc/98/06/21/563980621.db2.gz NDLPDNKGBZHDLP-UHFFFAOYSA-N 1 1 343.452 3.660 40 0 EHABMO c1coc(COCc2ncn3c2C[N@@H+](Cc2cccs2)CCC3)c1 ZINC000096259988 563980622 /nfs/dbraw/zinc/98/06/22/563980622.db2.gz NDLPDNKGBZHDLP-UHFFFAOYSA-N 1 1 343.452 3.660 40 0 EHABMO O=C(NC1CC(F)(F)C1)[C@@H]1CCC[C@@]12CC[N@@H+](CC1CCCC1)C2 ZINC000108527123 563984279 /nfs/dbraw/zinc/98/42/79/563984279.db2.gz GYKSRAGTFGLAPU-WMZOPIPTSA-N 1 1 340.458 3.583 40 0 EHABMO c1ccc(C[N@H+]2CCCC[C@@H]2c2cccnc2N2CCOCC2)cc1 ZINC000072216248 563985514 /nfs/dbraw/zinc/98/55/14/563985514.db2.gz OQFIYKSUWYUJNN-HXUWFJFHSA-N 1 1 337.467 3.645 40 0 EHABMO CN(C)c1ccc(-c2nnc([C@H]3CC[N@H+](C4CCCCC4)C3)o2)cc1 ZINC000049170197 564032639 /nfs/dbraw/zinc/03/26/39/564032639.db2.gz GQOLTPTZDMIVDF-INIZCTEOSA-N 1 1 340.471 3.925 40 0 biogenic,in-vitro EHABMO CC[C@@](C)(OC)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225602217 564048240 /nfs/dbraw/zinc/04/82/40/564048240.db2.gz BNOLJANVSRFANS-OXJNMPFZSA-N 1 1 348.487 3.693 40 0 EHABMO C[N@@H+](Cc1ccco1)[C@@H]1CCC[C@@H]2CN(C(=O)c3cccs3)C[C@H]21 ZINC000248122761 564053002 /nfs/dbraw/zinc/05/30/02/564053002.db2.gz NMVMOJUPFNJQDD-DJIMGWMZSA-N 1 1 344.480 3.714 40 0 EHABMO Cc1cccnc1C[N@H+]1CCOC[C@H](Cc2ccc3ncccc3c2)C1 ZINC000257309202 564055233 /nfs/dbraw/zinc/05/52/33/564055233.db2.gz TZYDYVHYPAMEJR-LJQANCHMSA-N 1 1 347.462 3.629 40 0 EHABMO CC(C)c1ccccc1OC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000001475853 564065572 /nfs/dbraw/zinc/06/55/72/564065572.db2.gz PTIKSCXGHSGHDV-LJQANCHMSA-N 1 1 325.452 3.608 40 0 EHABMO COc1ccc2c(c1)CCN(c1cc(NC(C)C)nc(C(C)C)[nH+]1)C2 ZINC000329013988 564071557 /nfs/dbraw/zinc/07/15/57/564071557.db2.gz MTEBQDUYWUTCCT-UHFFFAOYSA-N 1 1 340.471 3.992 40 0 EHABMO Cc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038848720 213227782 /nfs/dbraw/zinc/22/77/82/213227782.db2.gz ZOCXZFNMIHBPET-LJQANCHMSA-N 1 1 340.442 3.663 40 0 EHABMO Cc1cc(C)n(-c2cccc(C[N@H+](C)[C@H](C)Cc3ccccn3)c2)n1 ZINC000036740656 213116222 /nfs/dbraw/zinc/11/62/22/213116222.db2.gz GGEKULQEEUDGCO-QGZVFWFLSA-N 1 1 334.467 3.947 40 0 EHABMO Cc1nc(Nc2ncccn2)cc([C@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000072360098 216165602 /nfs/dbraw/zinc/16/56/02/216165602.db2.gz QBIWAXRTLOYPDU-GOSISDBHSA-N 1 1 346.438 3.656 40 0 EHABMO CCc1nccn1-c1nccnc1[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000072350487 216162611 /nfs/dbraw/zinc/16/26/11/216162611.db2.gz NEBSZSYDLJGHRH-SFHVURJKSA-N 1 1 347.466 3.604 40 0 EHABMO c1ccc(Oc2cncc([C@H]3CCC[N@H+]3C3CCOCC3)n2)cc1 ZINC000072384261 216185352 /nfs/dbraw/zinc/18/53/52/216185352.db2.gz JHQDBWKUDVFDTA-GOSISDBHSA-N 1 1 325.412 3.585 40 0 EHABMO Fc1ccc(C[N@H+]2CCC[C@H](c3nnc(-c4ccccn4)o3)C2)cc1 ZINC000072390024 216189058 /nfs/dbraw/zinc/18/90/58/216189058.db2.gz HFKSSBWFECCKJH-HNNXBMFYSA-N 1 1 338.386 3.650 40 0 EHABMO Cc1nc([C@]2(C)CCC[N@@H+](Cc3cccnc3)C2)c2sccn12 ZINC000257204243 244127730 /nfs/dbraw/zinc/12/77/30/244127730.db2.gz ATRSLNBTSUPJOD-GOSISDBHSA-N 1 1 326.469 3.653 40 0 EHABMO Cc1cccc(C[N@H+]2CCC[C@H]2c2ccnc(Nc3cnccn3)c2)n1 ZINC000257235573 244226535 /nfs/dbraw/zinc/22/65/35/244226535.db2.gz GYKSLDSLOBHAEJ-SFHVURJKSA-N 1 1 346.438 3.656 40 0 EHABMO O[C@@H](C[N@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1)c1cccs1 ZINC000019375789 212024478 /nfs/dbraw/zinc/02/44/78/212024478.db2.gz PQTUVGLKKFMAKS-CJNGLKHVSA-N 1 1 327.453 3.537 40 0 EHABMO c1ccc(C[N@@H+](Cc2[nH]nnc2-c2ccccc2)C[C@H]2CCCO2)cc1 ZINC000019371517 212023438 /nfs/dbraw/zinc/02/34/38/212023438.db2.gz XRZQPIQWAUOIGL-LJQANCHMSA-N 1 1 348.450 3.653 40 0 EHABMO c1ccc(C[N@H+](Cc2[nH]nnc2-c2ccccc2)C[C@H]2CCCO2)cc1 ZINC000019371517 212023441 /nfs/dbraw/zinc/02/34/41/212023441.db2.gz XRZQPIQWAUOIGL-LJQANCHMSA-N 1 1 348.450 3.653 40 0 EHABMO O=c1cc([C@@H]2CCCC[N@H+]2Cc2ccccc2)nc(-c2ccncc2)[nH]1 ZINC000019372029 212022682 /nfs/dbraw/zinc/02/26/82/212022682.db2.gz ARGQKDOQZUJYHH-IBGZPJMESA-N 1 1 346.434 3.559 40 0 EHABMO O=C(CC[N@H+]1CCN2c3ccccc3CC[C@@H]2C1)c1ccc(F)cc1 ZINC000053073945 132185679 /nfs/dbraw/zinc/18/56/79/132185679.db2.gz DOHBWZBXSGIRIR-LJQANCHMSA-N 1 1 338.426 3.536 40 0 EHABMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(Cl)cc1Cl ZINC000005670640 563544836 /nfs/dbraw/zinc/54/48/36/563544836.db2.gz GPXNHBGCMKQUQP-BLLLJJGKSA-N 1 1 341.282 3.988 40 0 EHABMO Cc1cc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)cc(C)c1Cl ZINC000006008641 563557024 /nfs/dbraw/zinc/55/70/24/563557024.db2.gz SOLPFLKUJFUZFL-INIZCTEOSA-N 1 1 325.880 3.961 40 0 EHABMO Cc1cc(OC[C@H](O)C[N@H+](C)C2CCCCC2)cc(C)c1Cl ZINC000006008637 563557077 /nfs/dbraw/zinc/55/70/77/563557077.db2.gz SOLPFLKUJFUZFL-MRXNPFEDSA-N 1 1 325.880 3.961 40 0 EHABMO Clc1ncccc1-c1noc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)n1 ZINC000013265807 563693153 /nfs/dbraw/zinc/69/31/53/563693153.db2.gz QVJFQLVCYIEWOD-JSGCOSHPSA-N 1 1 332.835 3.940 40 0 EHABMO Cc1ccc(CN2C(=O)CC[C@@]23CCC[N@@H+](CC2CC2)CC3)cc1 ZINC000585100210 563971372 /nfs/dbraw/zinc/97/13/72/563971372.db2.gz HPMWYELRSDEMKI-OAQYLSRUSA-N 1 1 326.484 3.752 40 0 EHABMO c1csc(C[N@@H+]2CCC3(C2)CCN(Cc2nccs2)CC3)c1 ZINC000096046527 563978069 /nfs/dbraw/zinc/97/80/69/563978069.db2.gz FYBRYTMQEYKKFN-UHFFFAOYSA-N 1 1 333.526 3.693 40 0 EHABMO COc1ccc(N[C@@H]2CO[C@]3(CC[N@@H+](Cc4ccsc4)C3)C2)cc1 ZINC000096047611 563978259 /nfs/dbraw/zinc/97/82/59/563978259.db2.gz YKCPKELHLDNUBK-PKOBYXMFSA-N 1 1 344.480 3.602 40 0 EHABMO Fc1cccc(N[C@@H]2CO[C@@]3(CC[N@@H+](Cc4ccsc4)C3)C2)c1 ZINC000096047587 563978302 /nfs/dbraw/zinc/97/83/02/563978302.db2.gz PWGBGNBWEKZWBV-ROUUACIJSA-N 1 1 332.444 3.733 40 0 EHABMO c1cc(CN2CCC3(CCC[N@H+]3Cc3cccnc3)CC2)cs1 ZINC000096049312 563978425 /nfs/dbraw/zinc/97/84/25/563978425.db2.gz GFSVHQFVJQHMPG-UHFFFAOYSA-N 1 1 327.497 3.774 40 0 EHABMO Cc1occc1C(=O)N1CCC2(CC[C@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC000096051579 563978557 /nfs/dbraw/zinc/97/85/57/563978557.db2.gz SMGBWZGSDYYRFH-GOSISDBHSA-N 1 1 342.439 3.698 40 0 EHABMO Cc1ccc(C[N@H+]2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)s1 ZINC000096057910 563978840 /nfs/dbraw/zinc/97/88/40/563978840.db2.gz QZXGLPPBRSWYGA-IPMKNSEASA-N 1 1 335.513 3.995 40 0 EHABMO COc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(c2ccccn2)C3)cc1 ZINC000096216656 563980345 /nfs/dbraw/zinc/98/03/45/563980345.db2.gz VFXBYIJWMFHSBX-NRFANRHFSA-N 1 1 337.467 3.583 40 0 EHABMO Cc1ccc(C(=O)N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccco4)[C@H]3C2)o1 ZINC000107746125 563984128 /nfs/dbraw/zinc/98/41/28/563984128.db2.gz DXSBUYCZZPYIQT-SZMVWBNQSA-N 1 1 342.439 3.554 40 0 EHABMO CCc1ccc(N2C(=O)[C@@H]([NH3+])[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000072228050 563986068 /nfs/dbraw/zinc/98/60/68/563986068.db2.gz JIAPSEXOOIYLGE-JKSUJKDBSA-N 1 1 335.234 3.971 40 0 EHABMO COc1ccc(CC[N@H+](Cc2ccncc2)CC2CC2)cc1OC ZINC000013989502 564020775 /nfs/dbraw/zinc/02/07/75/564020775.db2.gz UDVOSTUMSRIZIS-UHFFFAOYSA-N 1 1 326.440 3.554 40 0 EHABMO COc1ccc(C[N@H+]2CC[C@H](c3nnc(-c4ccccc4)o3)C2)cc1 ZINC000049169278 564032557 /nfs/dbraw/zinc/03/25/57/564032557.db2.gz FWYWISSAGDPNPY-KRWDZBQOSA-N 1 1 335.407 3.735 40 0 biogenic,in-vitro EHABMO CN1C[C@H]2[N@@H+](Cc3ccsc3)CC[C@]2(c2ccccc2)CCC1=O ZINC000306143715 564062366 /nfs/dbraw/zinc/06/23/66/564062366.db2.gz YKHGBASRRORODF-QUCCMNQESA-N 1 1 340.492 3.513 40 0 EHABMO CC[C@H](C)Nc1nc(N2Cc3ccccc3C[C@@H]2C)cc(C2CC2)[nH+]1 ZINC000328982152 564071228 /nfs/dbraw/zinc/07/12/28/564071228.db2.gz GYESPJGCSYDXLA-GJZGRUSLSA-N 1 1 336.483 3.938 40 0 EHABMO Brc1ccc(Oc2ncccn2)c(C[NH+]2CCCC2)c1 ZINC000575424214 564079207 /nfs/dbraw/zinc/07/92/07/564079207.db2.gz XJAHRCYFSCLHSJ-UHFFFAOYSA-N 1 1 334.217 3.627 40 0 EHABMO CCN(C)[C@@H]1C[N@@H+](Cc2c(C)nn(CC)c2C)C2(C1)CCCCC2 ZINC000019703798 564128037 /nfs/dbraw/zinc/12/80/37/564128037.db2.gz PEKIEJFESGIXMZ-SFHVURJKSA-N 1 1 332.536 3.749 40 0 EHABMO CCn1nc(C)c(CN2C[C@@H]([N@H+](C)CC)CC23CCCCC3)c1C ZINC000019703798 564128038 /nfs/dbraw/zinc/12/80/38/564128038.db2.gz PEKIEJFESGIXMZ-SFHVURJKSA-N 1 1 332.536 3.749 40 0 EHABMO CCn1nc(C)c(CN2C[C@@H]([N@@H+](C)CC)CC23CCCCC3)c1C ZINC000019703798 564128039 /nfs/dbraw/zinc/12/80/39/564128039.db2.gz PEKIEJFESGIXMZ-SFHVURJKSA-N 1 1 332.536 3.749 40 0 EHABMO CC[C@@H](Oc1cccc(C)c1)C(=O)NCCC[N@H+]1CCCC[C@H]1CC ZINC000044841652 564128541 /nfs/dbraw/zinc/12/85/41/564128541.db2.gz GISGQULYQJUEDR-UYAOXDASSA-N 1 1 346.515 3.923 40 0 EHABMO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)NC1CCC(C(F)F)CC1 ZINC000528011205 1031591108 /nfs/dbraw/zinc/59/11/08/1031591108.db2.gz OMJVNWIEDXELBW-ZBCRRDGASA-N 1 1 343.462 3.517 40 0 EHABMO O=C(C[NH2+]Cc1ccccc1Cl)Nc1ccc(N2CCCC2)cc1 ZINC000057698828 214440204 /nfs/dbraw/zinc/44/02/04/214440204.db2.gz PPANGXVXAWEYAH-UHFFFAOYSA-N 1 1 343.858 3.669 40 0 EHABMO Cc1ccc(C[N@H+]2CC[C@H]3C[C@H](c4ccnc(C)n4)O[C@@H]3C2)s1 ZINC000097953899 219065290 /nfs/dbraw/zinc/06/52/90/219065290.db2.gz DXFGISWPCUOKSF-BMGDILEWSA-N 1 1 329.469 3.507 40 0 EHABMO Cc1cccc(Nc2ccc([C@@H]3CCC[N@H+]3Cc3cnn(C)c3)nc2)n1 ZINC000072353102 216161786 /nfs/dbraw/zinc/16/17/86/216161786.db2.gz CMELGRMNBIQSAG-IBGZPJMESA-N 1 1 348.454 3.599 40 0 EHABMO Cc1cccc(Nc2ccc([C@@H]3CCC[N@@H+]3Cc3cnn(C)c3)nc2)n1 ZINC000072353102 216161789 /nfs/dbraw/zinc/16/17/89/216161789.db2.gz CMELGRMNBIQSAG-IBGZPJMESA-N 1 1 348.454 3.599 40 0 EHABMO Cc1nccn1-c1cccc([C@H]2CCC[N@@H+](CCc3ccccc3)C2)n1 ZINC000072376601 216179037 /nfs/dbraw/zinc/17/90/37/216179037.db2.gz RBDLYZJTVAISNT-FQEVSTJZSA-N 1 1 346.478 3.998 40 0 EHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](C)Oc1cccc(C)c1C ZINC000022523917 212304262 /nfs/dbraw/zinc/30/42/62/212304262.db2.gz RXZKIHHYUJKCKH-RTBURBONSA-N 1 1 346.515 3.842 40 0 EHABMO CCOc1cc(C[NH2+]CCN(CC)CC)cc(Cl)c1OCC ZINC000022076038 212277014 /nfs/dbraw/zinc/27/70/14/212277014.db2.gz MEMMLLJYEXWWSY-UHFFFAOYSA-N 1 1 328.884 3.569 40 0 EHABMO CSc1ccccc1C(=O)NCc1ccc(-n2cc[nH+]c2C)cc1 ZINC000020451202 212129875 /nfs/dbraw/zinc/12/98/75/212129875.db2.gz SRBYIVCVBZUIDV-UHFFFAOYSA-N 1 1 337.448 3.833 40 0 EHABMO Cc1c[nH]c(-c2cc([C@@H]3CCCC[N@@H+]3Cc3cccnc3)nc(C)n2)n1 ZINC000257225501 244197725 /nfs/dbraw/zinc/19/77/25/244197725.db2.gz FGNFBVHWTKIPMZ-IBGZPJMESA-N 1 1 348.454 3.606 40 0 EHABMO Cc1c[nH]c(-c2cc([C@@H]3CCCC[N@H+]3Cc3cccnc3)nc(C)n2)n1 ZINC000257225501 244197732 /nfs/dbraw/zinc/19/77/32/244197732.db2.gz FGNFBVHWTKIPMZ-IBGZPJMESA-N 1 1 348.454 3.606 40 0 EHABMO Cc1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccc(-c3ccccc3)cc1)C2 ZINC000019576607 212045044 /nfs/dbraw/zinc/04/50/44/212045044.db2.gz SLPQPXGRPCKFMA-UHFFFAOYSA-N 1 1 331.419 3.716 40 0 EHABMO COc1ccc(C[N@H+]2CCC[C@@H]2c2cc3cccnc3[nH]2)c(OC)c1 ZINC000012222588 211323520 /nfs/dbraw/zinc/32/35/20/211323520.db2.gz MWQVMWPZEPGFAO-GOSISDBHSA-N 1 1 337.423 3.917 40 0 EHABMO Cc1ccc(C2(O)[C@@H]3CCC[C@H]2C[N@H+](Cc2ccc(F)cc2)C3)nc1 ZINC000012135246 211301065 /nfs/dbraw/zinc/30/10/65/211301065.db2.gz WNMWATLEGSGWTC-HTZLVSCSSA-N 1 1 340.442 3.649 40 0 EHABMO C[C@@H]1[C@@H]2C[C@H](CN1C(=O)OC(C)(C)C)C[N@@H+](Cc1ccccc1)C2 ZINC000095093764 218281110 /nfs/dbraw/zinc/28/11/10/218281110.db2.gz YYUADVVEJKUGRU-BPQIPLTHSA-N 1 1 330.472 3.764 40 0 EHABMO CCSc1nnc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)n1C(C)C ZINC000004932398 210328111 /nfs/dbraw/zinc/32/81/11/210328111.db2.gz ARYYLAWPHJAILY-MRXNPFEDSA-N 1 1 345.516 3.746 40 0 EHABMO CCc1ccc([C@@H]2[C@H]([NH3+])C(=O)N2c2cccc(C(F)(F)F)c2)cc1 ZINC000072227538 262490924 /nfs/dbraw/zinc/49/09/24/262490924.db2.gz ACBAEPOABYJIEC-JKSUJKDBSA-N 1 1 334.341 3.683 40 0 EHABMO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H](O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000253608514 563950435 /nfs/dbraw/zinc/95/04/35/563950435.db2.gz PSKUZPOGYZMETL-XRNRSJMDSA-N 1 1 325.537 3.803 40 0 EHABMO O=C1N(CC2CCCCC2)C[C@@]12CCC[N@H+](CC1CC(F)(F)C1)C2 ZINC000585099645 563971416 /nfs/dbraw/zinc/97/14/16/563971416.db2.gz ULGAGRLMEOCHRF-SFHVURJKSA-N 1 1 340.458 3.536 40 0 EHABMO Cc1ccc(C[N@H+]2CCC3(C2)CCN(Cc2nccs2)CC3)o1 ZINC000096046616 563978064 /nfs/dbraw/zinc/97/80/64/563978064.db2.gz WALQKOWLFXKYQR-UHFFFAOYSA-N 1 1 331.485 3.533 40 0 EHABMO CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2CN(C(=O)c3ccsc3)C[C@@H]21 ZINC000096058327 563978854 /nfs/dbraw/zinc/97/88/54/563978854.db2.gz UQTUZXSFTSWMOC-FHWLQOOXSA-N 1 1 340.492 3.999 40 0 EHABMO C[N@@H+](Cc1ccco1)[C@@H]1CCC[C@H]2CN(C(=O)c3ccccc3)C[C@@H]21 ZINC000096081859 563979111 /nfs/dbraw/zinc/97/91/11/563979111.db2.gz MXPXKLFLAOYKER-YSIASYRMSA-N 1 1 338.451 3.652 40 0 EHABMO Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@@H+](Cc2cccnc2)C3)c1 ZINC000096206239 563980135 /nfs/dbraw/zinc/98/01/35/563980135.db2.gz GAVMLAPYLYLYSN-RTWAWAEBSA-N 1 1 337.467 3.604 40 0 EHABMO Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000096263805 563980664 /nfs/dbraw/zinc/98/06/64/563980664.db2.gz BSYWQJMZNJLTJH-MOPGFXCFSA-N 1 1 329.447 3.859 40 0 EHABMO CC(C)c1ccc(/C=C2/SC(=O)N(C[NH+]3CCCC3)C2=O)cc1 ZINC000059457411 564050622 /nfs/dbraw/zinc/05/06/22/564050622.db2.gz KQTRPNAINAYKRA-LFIBNONCSA-N 1 1 330.453 3.900 40 0 EHABMO Cc1noc(C)c1-c1cccc(C[C@@H]2CC[N@@H+](Cc3ccncc3)C2)n1 ZINC000257279313 564054585 /nfs/dbraw/zinc/05/45/85/564054585.db2.gz OGAKEWQIIGAXBZ-SFHVURJKSA-N 1 1 348.450 3.813 40 0 EHABMO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@H]2C[N@@H+](C3CCC3)C[C@@H]21 ZINC000306129939 564062154 /nfs/dbraw/zinc/06/21/54/564062154.db2.gz IRFNKESBWFMDJM-AEFFLSMTSA-N 1 1 345.489 3.523 40 0 EHABMO CC[C@H](C)Nc1cc(N2CCc3cc(OC)ccc3C2)[nH+]c(C)n1 ZINC000328964113 564070965 /nfs/dbraw/zinc/07/09/65/564070965.db2.gz BTCNUEGJIFRFBQ-ZDUSSCGKSA-N 1 1 326.444 3.567 40 0 EHABMO COc1ccc(CN2C(=O)CCCC[C@H]3[N@H+](C(C)C)CC[C@]32C)cc1 ZINC000019713769 564128126 /nfs/dbraw/zinc/12/81/26/564128126.db2.gz GHQAWXDVZFBUPN-TZIWHRDSSA-N 1 1 344.499 3.839 40 0 EHABMO Cc1cccc(C[N@H+]2C[C@@H]3Cn4c(-c5ccccc5)cnc4C[C@@H]3C2)n1 ZINC000306128669 568420020 /nfs/dbraw/zinc/42/00/20/568420020.db2.gz HHUPPPUIGJYJJO-RTBURBONSA-N 1 1 344.462 3.558 40 0 EHABMO Cc1cccc(C[N@@H+]2C[C@@H]3Cc4ncc(-c5ccccc5)n4C[C@H]3C2)n1 ZINC000306128668 1137871331 /nfs/dbraw/zinc/87/13/31/1137871331.db2.gz HHUPPPUIGJYJJO-RBUKOAKNSA-N 1 1 344.462 3.558 40 0 EHABMO [NH3+]C[C@H]1CC[C@H]([C@H](NCc2cccc(F)c2)c2ccccn2)CC1 ZINC000100749976 219105756 /nfs/dbraw/zinc/10/57/56/219105756.db2.gz CNKULNYGOMGBTJ-VPWXQRGCSA-N 1 1 327.447 3.817 40 0 EHABMO COc1ccc2[nH]c([C@H]3CC[N@@H+](CCCc4ccccc4)C3)nc2c1 ZINC000035446766 213029397 /nfs/dbraw/zinc/02/93/97/213029397.db2.gz RYQOVKWELRHSDR-KRWDZBQOSA-N 1 1 335.451 3.994 40 0 biogenic,in-vitro EHABMO COc1ccc2nc([C@H]3CC[N@H+](CCCc4ccccc4)C3)[nH]c2c1 ZINC000035446766 213029401 /nfs/dbraw/zinc/02/94/01/213029401.db2.gz RYQOVKWELRHSDR-KRWDZBQOSA-N 1 1 335.451 3.994 40 0 biogenic,in-vitro EHABMO COc1ccc2nc([C@H]3CC[N@@H+](CCCc4ccccc4)C3)[nH]c2c1 ZINC000035446766 213029405 /nfs/dbraw/zinc/02/94/05/213029405.db2.gz RYQOVKWELRHSDR-KRWDZBQOSA-N 1 1 335.451 3.994 40 0 biogenic,in-vitro EHABMO CC(=O)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](CC3CCCCC3)CC[C@@H]21 ZINC000072330691 216155485 /nfs/dbraw/zinc/15/54/85/216155485.db2.gz DRPSISGYYCGIDG-UFYCRDLUSA-N 1 1 346.540 3.965 40 0 EHABMO C[C@@H]1C[N@@H+](C)CC[C@@H]1CCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000072335288 216157102 /nfs/dbraw/zinc/15/71/02/216157102.db2.gz RVWHIDJMYMUWOP-AEFFLSMTSA-N 1 1 337.467 3.854 40 0 EHABMO CC[NH+](CC)CCN[C@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000022871024 212330972 /nfs/dbraw/zinc/33/09/72/212330972.db2.gz LWFOWNOBPVMQDT-OAQYLSRUSA-N 1 1 326.484 3.910 40 0 EHABMO COCCC[N@@H+](Cc1c[nH]nc1-c1ccccc1)Cc1ccccn1 ZINC000019593275 212050484 /nfs/dbraw/zinc/05/04/84/212050484.db2.gz IXXKLQDHJIYBKR-UHFFFAOYSA-N 1 1 336.439 3.510 40 0 EHABMO C[C@H]1C[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@H+]2C ZINC000019495818 212032064 /nfs/dbraw/zinc/03/20/64/212032064.db2.gz FVEFMSZTHXCPMG-ZMHJYQQXSA-N 1 1 326.484 3.511 40 0 EHABMO O=C1CCCN1C[C@@H]1CCC[N@H+](CC2(c3ccc(Cl)cc3)CC2)C1 ZINC000012241527 211327675 /nfs/dbraw/zinc/32/76/75/211327675.db2.gz YQCHPNQKFOWKEX-MRXNPFEDSA-N 1 1 346.902 3.706 40 0 EHABMO CCOc1ccc2[nH]c(C)c(C[N@H+]3CCCC[C@H]3CC)c(=O)c2c1 ZINC000000948999 563366406 /nfs/dbraw/zinc/36/64/06/563366406.db2.gz XUEDCICPHLYDKR-OAHLLOKOSA-N 1 1 328.456 4.000 40 0 EHABMO COc1ccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c(C(C)(C)C)c1 ZINC000001475476 563391010 /nfs/dbraw/zinc/39/10/10/563391010.db2.gz PVRPRVBIJMPCRR-KRWDZBQOSA-N 1 1 349.515 3.997 40 0 EHABMO CN1CC[NH+](CCCN2c3ccccc3Sc3ccccc32)CC1 ZINC000019362664 563855838 /nfs/dbraw/zinc/85/58/38/563855838.db2.gz WEYVCQFUGFRXOM-UHFFFAOYSA-N 1 1 339.508 3.927 40 0 world EHABMO O[C@](CC[NH+]1CCOCC1)(c1cccc(Cl)c1)C1CCCCC1 ZINC000031938045 563913199 /nfs/dbraw/zinc/91/31/99/563913199.db2.gz SIALJIYBPIHICY-IBGZPJMESA-N 1 1 337.891 3.830 40 0 EHABMO CCOc1cccc(CNC(=O)c2ccc(Cn3cc[nH+]c3C)cc2)c1 ZINC000044919876 563928291 /nfs/dbraw/zinc/92/82/91/563928291.db2.gz JGXHIXSCDXQMRO-UHFFFAOYSA-N 1 1 349.434 3.569 40 0 EHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CCc1ccc(F)cc1 ZINC000065740007 563962123 /nfs/dbraw/zinc/96/21/23/563962123.db2.gz HVDNXKNMFORYDI-UHFFFAOYSA-N 1 1 337.398 3.569 40 0 EHABMO Cc1nc([C@@H]2C[C@@H]3CC[N@@H+](Cc4cccc5ccccc54)C[C@H]3O2)no1 ZINC000096046414 563978085 /nfs/dbraw/zinc/97/80/85/563978085.db2.gz KRJVBHFXKNIJND-FFZOFVMBSA-N 1 1 349.434 3.883 40 0 EHABMO FC1(F)CC[N@@H+](Cc2ccccn2)C[C@]12CCN(c1ccccc1)C2 ZINC000096051111 563978525 /nfs/dbraw/zinc/97/85/25/563978525.db2.gz REVJAPRIEKJSAO-IBGZPJMESA-N 1 1 343.421 3.819 40 0 EHABMO Cc1ccc(C(=O)N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccco4)[C@@H]3C2)o1 ZINC000096054594 563978705 /nfs/dbraw/zinc/97/87/05/563978705.db2.gz DXSBUYCZZPYIQT-JQHSSLGASA-N 1 1 342.439 3.554 40 0 EHABMO C[NH+](C)[C@@H](C(=O)Nc1ccc(Cc2ccncc2)cc1)c1ccccc1 ZINC000195454331 564025871 /nfs/dbraw/zinc/02/58/71/564025871.db2.gz AUSPSIVJJWCMDH-OAQYLSRUSA-N 1 1 345.446 3.914 40 0 EHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(Cl)cc1F ZINC000222693663 564037496 /nfs/dbraw/zinc/03/74/96/564037496.db2.gz PCBZYQGHVKPQKD-AWEZNQCLSA-N 1 1 326.843 3.864 40 0 EHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NC(C)(C)Cc2ccccc2)cc1 ZINC000225301759 564045781 /nfs/dbraw/zinc/04/57/81/564045781.db2.gz SEXMKLVDTKQLPM-UHFFFAOYSA-N 1 1 347.462 3.991 40 0 EHABMO C[N@H+]1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)N2C(=O)c1cscn1 ZINC000257308255 564055199 /nfs/dbraw/zinc/05/51/99/564055199.db2.gz TWBYNXVUIANOMD-OKZBNKHCSA-N 1 1 341.480 3.583 40 0 EHABMO c1csc([C@H]2CCC[N@H+](Cc3cnc(-c4ccccc4)nc3)C2)n1 ZINC000257323054 564055448 /nfs/dbraw/zinc/05/54/48/564055448.db2.gz WIOQDTAZAVEWEJ-KRWDZBQOSA-N 1 1 336.464 3.980 40 0 EHABMO COc1ccc2c(c1)CCN(c1cc(NC(C)C)[nH+]c(C3CC3)n1)C2 ZINC000328986460 564071255 /nfs/dbraw/zinc/07/12/55/564071255.db2.gz HYVJEIQFRRRDOZ-UHFFFAOYSA-N 1 1 338.455 3.746 40 0 EHABMO COc1ccc2c(c1)CCN(c1cc(NC(C)C)nc(C3CC3)[nH+]1)C2 ZINC000328986460 564071256 /nfs/dbraw/zinc/07/12/56/564071256.db2.gz HYVJEIQFRRRDOZ-UHFFFAOYSA-N 1 1 338.455 3.746 40 0 EHABMO CC[N@H+](C(c1ccccc1)c1ccccc1)[C@@]1(C)CCS(=O)(=O)C1 ZINC000575423138 564079182 /nfs/dbraw/zinc/07/91/82/564079182.db2.gz YLSRSLJDHYQCSY-FQEVSTJZSA-N 1 1 343.492 3.675 40 0 EHABMO CC[N@@H+](C(c1ccccc1)c1ccccc1)[C@@]1(C)CCS(=O)(=O)C1 ZINC000575423138 564079183 /nfs/dbraw/zinc/07/91/83/564079183.db2.gz YLSRSLJDHYQCSY-FQEVSTJZSA-N 1 1 343.492 3.675 40 0 EHABMO Cc1cc2nc([C@@H]3CCC[N@H+](C[C@H](C)c4ccccc4)C3)cc(N)n2n1 ZINC000012667439 564127879 /nfs/dbraw/zinc/12/78/79/564127879.db2.gz FFJUBRKZDFQDBJ-MAUKXSAKSA-N 1 1 349.482 3.603 40 0 EHABMO Cc1ccccc1O[C@@H]1CCCC[C@H]1[N@H+]1CCN[C@@H]2CCCC[C@@H]21 ZINC000225714533 564150416 /nfs/dbraw/zinc/15/04/16/564150416.db2.gz AYRHIEIVWIXGOF-RCLSDMTESA-N 1 1 328.500 3.901 40 0 EHABMO Cc1ccccc1O[C@@H]1CCCC[C@H]1N1CC[NH2+][C@@H]2CCCC[C@@H]21 ZINC000225714533 564150417 /nfs/dbraw/zinc/15/04/17/564150417.db2.gz AYRHIEIVWIXGOF-RCLSDMTESA-N 1 1 328.500 3.901 40 0 EHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H](C)Oc1cccc(C)c1C ZINC000260529605 1017048860 /nfs/dbraw/zinc/04/88/60/1017048860.db2.gz RXZKIHHYUJKCKH-RBUKOAKNSA-N 1 1 346.515 3.842 40 0 EHABMO Oc1ccc(-c2[nH+]c3ccc(Cl)cn3c2NC[C@H]2CCCO2)cc1 ZINC000000417124 209580839 /nfs/dbraw/zinc/58/08/39/209580839.db2.gz MIXSFTNXCAMZNM-OAHLLOKOSA-N 1 1 343.814 3.951 40 0 EHABMO O=C(C1CCCC1)N1C[C@@H]2CCCC[N@@H+](Cc3cccs3)[C@@H]2C1 ZINC000072330639 216155411 /nfs/dbraw/zinc/15/54/11/216155411.db2.gz WXCOREGQRFIJLD-FUHWJXTLSA-N 1 1 332.513 3.751 40 0 EHABMO Nc1ncc(-c2cccc(F)c2)c([C@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC000072345881 216159486 /nfs/dbraw/zinc/15/94/86/216159486.db2.gz HAIBHZOCHPGERW-HNNXBMFYSA-N 1 1 340.446 3.987 40 0 EHABMO C[N@H+]1CC[C@H](c2c3ccccc3sc2C(=O)NC2(C)CCC2)C1 ZINC000072352601 216163052 /nfs/dbraw/zinc/16/30/52/216163052.db2.gz IDWRRYXNOQIPFU-ZDUSSCGKSA-N 1 1 328.481 3.993 40 0 EHABMO Cc1ccc(Nc2nccc([C@H]3CCC[N@@H+]3Cc3ccncc3)n2)nc1 ZINC000072377619 216178669 /nfs/dbraw/zinc/17/86/69/216178669.db2.gz OFOHWTDIFVCNKT-GOSISDBHSA-N 1 1 346.438 3.656 40 0 EHABMO Cc1ccc(Nc2nccc([C@H]3CCC[N@H+]3Cc3ccncc3)n2)nc1 ZINC000072377619 216178670 /nfs/dbraw/zinc/17/86/70/216178670.db2.gz OFOHWTDIFVCNKT-GOSISDBHSA-N 1 1 346.438 3.656 40 0 EHABMO COc1ccc(C[N@H+]2CCC[C@H]2c2cccc(-n3ccnc3)n2)cc1 ZINC000072378694 216181832 /nfs/dbraw/zinc/18/18/32/216181832.db2.gz LHPRIICSQIXILS-IBGZPJMESA-N 1 1 334.423 3.613 40 0 EHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)/C=C/c2ccc(F)cc2)cc1 ZINC000020492318 212139449 /nfs/dbraw/zinc/13/94/49/212139449.db2.gz HGBSAMCVEQGZOK-IZZDOVSWSA-N 1 1 335.382 3.649 40 0 EHABMO c1cnc(Nc2ccc([C@H]3CCCC[N@@H+]3Cc3ccncc3)cn2)nc1 ZINC000257231812 244217968 /nfs/dbraw/zinc/21/79/68/244217968.db2.gz GIHJAAVJNYDAQG-GOSISDBHSA-N 1 1 346.438 3.737 40 0 EHABMO C[N@H+]1C[C@@H](c2ccccc2)[C@H]2[C@@H]1CCCCCN2C(=O)c1ccccn1 ZINC000257248303 244262216 /nfs/dbraw/zinc/26/22/16/244262216.db2.gz JDAQVHXDNYXYON-JBACZVJFSA-N 1 1 349.478 3.564 40 0 EHABMO COc1ccc(/C=C/C(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000020035136 212096492 /nfs/dbraw/zinc/09/64/92/212096492.db2.gz IWZWQQRZFALBRD-KPKJPENVSA-N 1 1 347.418 3.519 40 0 EHABMO Cc1cc(-c2cnc(N)nc2)cc([C@@H]2CCC[N@H+]2CC(C)(C)C)n1 ZINC000019690971 212055346 /nfs/dbraw/zinc/05/53/46/212055346.db2.gz WXALDVNCAZOLMM-KRWDZBQOSA-N 1 1 325.460 3.612 40 0 EHABMO COc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@H]2CCCO2)cc1O ZINC000012187039 563655436 /nfs/dbraw/zinc/65/54/36/563655436.db2.gz DPPBGYIFDFNOIS-GOSISDBHSA-N 1 1 345.414 3.721 40 0 EHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1 ZINC000030943912 563911872 /nfs/dbraw/zinc/91/18/72/563911872.db2.gz SKHKXXSSQHQFPF-QGZVFWFLSA-N 1 1 347.462 3.991 40 0 EHABMO Cc1ccc(C[N@H+]2CC[C@]3(CC(=O)N(c4ccc(C)s4)C3)C2)o1 ZINC000096050863 563978466 /nfs/dbraw/zinc/97/84/66/563978466.db2.gz LQGNXUNGMQBUDQ-SFHVURJKSA-N 1 1 330.453 3.587 40 0 EHABMO Fc1ccc(C[N@@H+]2C[C@H]3CN(Cc4cccc(F)c4)C[C@H]3C2)cc1 ZINC000096053870 563978732 /nfs/dbraw/zinc/97/87/32/563978732.db2.gz PNYZITIRFMNGIG-HDICACEKSA-N 1 1 328.406 3.529 40 0 EHABMO Fc1ccc(CN2C[C@@H]3C[N@@H+](Cc4cccc(F)c4)C[C@@H]3C2)cc1 ZINC000096053870 563978733 /nfs/dbraw/zinc/97/87/33/563978733.db2.gz PNYZITIRFMNGIG-HDICACEKSA-N 1 1 328.406 3.529 40 0 EHABMO Fc1ccc(CN2C[C@@H]3C[N@H+](Cc4cccc(F)c4)C[C@@H]3C2)cc1 ZINC000096053870 563978734 /nfs/dbraw/zinc/97/87/34/563978734.db2.gz PNYZITIRFMNGIG-HDICACEKSA-N 1 1 328.406 3.529 40 0 EHABMO Cc1ccsc1C[N@H+]1CC[C@H]2C[C@H](c3nnc(C4CC4)o3)O[C@@H]2C1 ZINC000096070607 563978974 /nfs/dbraw/zinc/97/89/74/563978974.db2.gz WJWSWQRMTOIPKG-RRFJBIMHSA-N 1 1 345.468 3.669 40 0 EHABMO Cc1nc(COC[C@@]23CCC[C@@H]2C[N@@H+](Cc2cccnc2)C3)cs1 ZINC000096111028 563979324 /nfs/dbraw/zinc/97/93/24/563979324.db2.gz VQVNILFHMWGYON-MJGOQNOKSA-N 1 1 343.496 3.665 40 0 EHABMO Cc1ccc(CN2CCC[C@]3(CC[N@@H+](Cc4ccc(C)o4)C3)C2)o1 ZINC000096215874 563980296 /nfs/dbraw/zinc/98/02/96/563980296.db2.gz SCYCQSCMSOPXBO-FQEVSTJZSA-N 1 1 328.456 3.978 40 0 EHABMO Cc1ccc(CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(C)o2)C3)o1 ZINC000096215874 563980297 /nfs/dbraw/zinc/98/02/97/563980297.db2.gz SCYCQSCMSOPXBO-FQEVSTJZSA-N 1 1 328.456 3.978 40 0 EHABMO Cc1ccc(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc(C)o2)C3)o1 ZINC000096215874 563980298 /nfs/dbraw/zinc/98/02/98/563980298.db2.gz SCYCQSCMSOPXBO-FQEVSTJZSA-N 1 1 328.456 3.978 40 0 EHABMO COc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(c2ccccn2)C3)cc1 ZINC000096216652 563980337 /nfs/dbraw/zinc/98/03/37/563980337.db2.gz VFXBYIJWMFHSBX-OAQYLSRUSA-N 1 1 337.467 3.583 40 0 EHABMO Cc1noc(C)c1CN1CCC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000096215996 563980383 /nfs/dbraw/zinc/98/03/83/563980383.db2.gz OEJCXJUMWYHSFS-OAQYLSRUSA-N 1 1 339.483 3.780 40 0 EHABMO Cc1nc(COCc2cnc3n2CC[N@H+](C2CCCC2)[C@H]3C)cs1 ZINC000096217488 563980418 /nfs/dbraw/zinc/98/04/18/563980418.db2.gz UWPCJVCFAHXTAE-ZDUSSCGKSA-N 1 1 346.500 3.684 40 0 EHABMO Cc1nc(COCc2cnc3n2CC[N@@H+](C2CCCC2)[C@H]3C)cs1 ZINC000096217488 563980419 /nfs/dbraw/zinc/98/04/19/563980419.db2.gz UWPCJVCFAHXTAE-ZDUSSCGKSA-N 1 1 346.500 3.684 40 0 EHABMO [NH3+][C@@H]1C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000072227658 563985944 /nfs/dbraw/zinc/98/59/44/563985944.db2.gz ARNLBCJANCBNPK-UONOGXRCSA-N 1 1 325.170 3.548 40 0 EHABMO Oc1ccc(-c2[nH+]c3ccc(Cl)cn3c2NC[C@@H]2CCCO2)cc1 ZINC000000417125 563997116 /nfs/dbraw/zinc/99/71/16/563997116.db2.gz MIXSFTNXCAMZNM-HNNXBMFYSA-N 1 1 343.814 3.951 40 0 EHABMO CC[C@H](Oc1ccccc1C)C(=O)NCCC[N@H+]1CCCC[C@H]1CC ZINC000260408598 563998114 /nfs/dbraw/zinc/99/81/14/563998114.db2.gz BZOPGCRCZISMFU-MOPGFXCFSA-N 1 1 346.515 3.923 40 0 EHABMO CCOc1ccc(C(=O)NCCC[N@H+]2CCCC[C@@H]2CC)cc1C ZINC000225372240 564046250 /nfs/dbraw/zinc/04/62/50/564046250.db2.gz GCLPZMRZGVJPDK-SFHVURJKSA-N 1 1 332.488 3.778 40 0 EHABMO C[C@H]1CCCC[N@H+]1CCCOc1ccc(NC(=O)C(F)(F)F)cc1 ZINC000225587377 564048088 /nfs/dbraw/zinc/04/80/88/564048088.db2.gz SLTIVVLTHYEAFS-ZDUSSCGKSA-N 1 1 344.377 3.831 40 0 EHABMO CNc1cccc(CC[C@H]2CCCC[N@H+]2Cc2scnc2C)n1 ZINC000257302107 564055084 /nfs/dbraw/zinc/05/50/84/564055084.db2.gz SBOMVIBNZZAMGX-MRXNPFEDSA-N 1 1 330.501 3.876 40 0 EHABMO CN(C)c1cccc(CC[C@H]2CCCC[N@H+]2Cc2cscn2)n1 ZINC000257333119 564055578 /nfs/dbraw/zinc/05/55/78/564055578.db2.gz YAFQIBSMZRGFBN-QGZVFWFLSA-N 1 1 330.501 3.591 40 0 EHABMO c1coc(C[N@H+]2CC[C@@]3(CCn4c(-c5cccs5)cnc43)C2)c1 ZINC000306132140 564062135 /nfs/dbraw/zinc/06/21/35/564062135.db2.gz KZZSDZCQYUTEDL-GOSISDBHSA-N 1 1 325.437 3.752 40 0 EHABMO CC[C@H](C)Nc1cc(N2CCc3cc([C@H](C)O)ccc3C2)[nH+]c(C)n1 ZINC000328975448 564071119 /nfs/dbraw/zinc/07/11/19/564071119.db2.gz FKOMKYHTCLJQNL-KBPBESRZSA-N 1 1 340.471 3.611 40 0 EHABMO CC1(C)Cc2ccccc2CN1c1cc(C2CC2)[nH+]c(NC2CC2)n1 ZINC000329041294 564071838 /nfs/dbraw/zinc/07/18/38/564071838.db2.gz SHTVVNIZKYDXDI-UHFFFAOYSA-N 1 1 334.467 3.692 40 0 EHABMO CCC(=O)c1ccc(OC[C@@H](O)C[N@H+](CC)C2CCCCC2)cc1 ZINC000016739470 564085453 /nfs/dbraw/zinc/08/54/53/564085453.db2.gz NZZGMYGYXVRAOT-SFHVURJKSA-N 1 1 333.472 3.674 40 0 EHABMO CCCCCNC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000009063710 564127626 /nfs/dbraw/zinc/12/76/26/564127626.db2.gz SJUJUKSCUSISCB-UHFFFAOYSA-N 1 1 340.870 3.998 40 0 EHABMO COc1ccc(OC)c([C@H]2CCC[N@H+]2C[C@@H](O)c2ccccc2)c1 ZINC000016352407 564177020 /nfs/dbraw/zinc/17/70/20/564177020.db2.gz ZGSJHDUHKWWBFB-RTBURBONSA-N 1 1 327.424 3.574 40 0 EHABMO Cc1cccc(C[N@@H+]2C[C@H]3Cc4ncc(-c5ccccc5)n4C[C@@H]3C2)n1 ZINC000306128666 1137871344 /nfs/dbraw/zinc/87/13/44/1137871344.db2.gz HHUPPPUIGJYJJO-MOPGFXCFSA-N 1 1 344.462 3.558 40 0 EHABMO COc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038835081 213228717 /nfs/dbraw/zinc/22/87/17/213228717.db2.gz VIPJPXOKWALQGW-INIZCTEOSA-N 1 1 342.414 3.685 40 0 EHABMO CCOc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000038834332 213228213 /nfs/dbraw/zinc/22/82/13/213228213.db2.gz HNOBEUVOVKRPEA-GOSISDBHSA-N 1 1 338.451 3.936 40 0 EHABMO Cc1ccc2oc([C@H]3CC[N@@H+](Cc4ccc5c(c4)OCO5)C3)nc2c1 ZINC000035446503 213028858 /nfs/dbraw/zinc/02/88/58/213028858.db2.gz JTKBQYJHIPZJQZ-HNNXBMFYSA-N 1 1 336.391 3.854 40 0 biogenic,in-vitro EHABMO O=C(OCc1ccc(F)cc1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000072202918 216069206 /nfs/dbraw/zinc/06/92/06/216069206.db2.gz WJKNNTIIIZOBGQ-KRWDZBQOSA-N 1 1 345.389 3.920 40 0 EHABMO c1ccc(CC[N@H+]2CCC[C@H]2c2cncc(Nc3ccccn3)n2)cc1 ZINC000072376234 216178469 /nfs/dbraw/zinc/17/84/69/216178469.db2.gz JHWSFZBWNTYAFM-IBGZPJMESA-N 1 1 345.450 3.995 40 0 EHABMO Fc1ccc(Oc2cncc([C@H]3CCC[N@H+]3C3CCOCC3)n2)cc1 ZINC000072384259 216185666 /nfs/dbraw/zinc/18/56/66/216185666.db2.gz WGKIOWXGOQSYCG-GOSISDBHSA-N 1 1 343.402 3.724 40 0 EHABMO c1ccc(C[N@H+]2CCC[C@H](c3cccc(Nc4cnccn4)n3)C2)cc1 ZINC000257223891 244195268 /nfs/dbraw/zinc/19/52/68/244195268.db2.gz DZJQASZLWSBTIC-SFHVURJKSA-N 1 1 345.450 3.995 40 0 EHABMO Cc1cncc([C@@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccccc3)C2)n1 ZINC000257241340 244244746 /nfs/dbraw/zinc/24/47/46/244244746.db2.gz HXRXVMKGHYTYOF-QGZVFWFLSA-N 1 1 333.439 3.555 40 0 EHABMO Cc1nc([C@H]2CCCC[NH2+]2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000257270333 244374741 /nfs/dbraw/zinc/37/47/41/244374741.db2.gz MTUBFMOBJUBQQQ-OAHLLOKOSA-N 1 1 330.819 3.505 40 0 EHABMO c1ccc([C@@H]2CCC[N@H+](Cc3ccnc(-c4ccncc4)n3)C2)cc1 ZINC000019369956 212023079 /nfs/dbraw/zinc/02/30/79/212023079.db2.gz FAPXUJBGSISSIZ-LJQANCHMSA-N 1 1 330.435 3.918 40 0 EHABMO O=C(NCc1ccccc1)[C@@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000049946935 214037687 /nfs/dbraw/zinc/03/76/87/214037687.db2.gz TWFBRMHBCMPQNM-NRFANRHFSA-N 1 1 330.431 3.834 40 0 EHABMO CC(=O)OCc1ccc(C[N@@H+]2CCCCC[C@@H]2c2cc(C)no2)o1 ZINC000019120285 212000620 /nfs/dbraw/zinc/00/06/20/212000620.db2.gz BMJRAYMMHPEAJU-QGZVFWFLSA-N 1 1 332.400 3.756 40 0 EHABMO CC(=O)OCc1ccc(C[N@H+]2CCCCC[C@@H]2c2cc(C)no2)o1 ZINC000019120285 212000624 /nfs/dbraw/zinc/00/06/24/212000624.db2.gz BMJRAYMMHPEAJU-QGZVFWFLSA-N 1 1 332.400 3.756 40 0 EHABMO Cc1nc(N2CCOCC2)ccc1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072219614 257686566 /nfs/dbraw/zinc/68/65/66/257686566.db2.gz GHFLHNDZNPBCJE-FQEVSTJZSA-N 1 1 337.467 3.564 40 0 EHABMO Cc1cc(N2CCCC2)[nH+]cc1[C@H]1CCCN1C(=O)c1ccccc1 ZINC000072218868 257687294 /nfs/dbraw/zinc/68/72/94/257687294.db2.gz OSWKSWMZFYLTOC-LJQANCHMSA-N 1 1 335.451 3.968 40 0 EHABMO CCn1cncc1C[N@@H+](CCCn1ccnc1)Cc1ccc(C)s1 ZINC000043277893 563925630 /nfs/dbraw/zinc/92/56/30/563925630.db2.gz XKCPDWFSOSTELA-UHFFFAOYSA-N 1 1 343.500 3.562 40 0 EHABMO Cc1cccc(NC(=S)NCCC[N@H+]2CCc3ccccc3C2)c1 ZINC000046103175 563929446 /nfs/dbraw/zinc/92/94/46/563929446.db2.gz ABUAGNCXMZDIAC-UHFFFAOYSA-N 1 1 339.508 3.730 40 0 EHABMO CC[C@H](C)[N@H+]1CCC[C@@]2(CCC(=O)N2Cc2csc(C)n2)CC1 ZINC000585100790 563971495 /nfs/dbraw/zinc/97/14/95/563971495.db2.gz WSFJDOUUTOEEBZ-KBXCAEBGSA-N 1 1 335.517 3.597 40 0 EHABMO CCn1cc2c(n1)C[N@@H+](Cc1sccc1C)C[C@@H]2COCC1CC1 ZINC000096045248 563978016 /nfs/dbraw/zinc/97/80/16/563978016.db2.gz SBYDCKLUCGUBCA-MRXNPFEDSA-N 1 1 345.512 3.799 40 0 EHABMO CCn1cc2c(n1)C[N@H+](Cc1sccc1C)C[C@@H]2COCC1CC1 ZINC000096045248 563978017 /nfs/dbraw/zinc/97/80/17/563978017.db2.gz SBYDCKLUCGUBCA-MRXNPFEDSA-N 1 1 345.512 3.799 40 0 EHABMO O=C(c1ccsc1)N1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC000096046654 563978095 /nfs/dbraw/zinc/97/80/95/563978095.db2.gz HLYVPOZTXJMKGH-UHFFFAOYSA-N 1 1 346.521 3.938 40 0 EHABMO O=C1N(c2ccsc2)CC[C@@]12CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000096048743 563978357 /nfs/dbraw/zinc/97/83/57/563978357.db2.gz PGCPLEKOECIORY-LJQANCHMSA-N 1 1 344.455 3.906 40 0 EHABMO Cc1ccc(C[N@H+]2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)s1 ZINC000096048251 563978380 /nfs/dbraw/zinc/97/83/80/563978380.db2.gz DPHIXUKXHVKHPN-PKOBYXMFSA-N 1 1 344.480 3.654 40 0 EHABMO Cc1ccc(C[N@H+]2CC[C@@]3(CCN(Cc4cccc(C)c4)C3=O)C2)o1 ZINC000096050570 563978429 /nfs/dbraw/zinc/97/84/29/563978429.db2.gz VDBOJIMCTRWGRT-OAQYLSRUSA-N 1 1 338.451 3.521 40 0 EHABMO FC1(F)CC[N@@H+](Cc2ccsc2)C[C@@]12CCN(c1cccnc1)C2 ZINC000096051126 563978522 /nfs/dbraw/zinc/97/85/22/563978522.db2.gz RCIRRBSPFNUFDV-QGZVFWFLSA-N 1 1 349.450 3.881 40 0 EHABMO Cc1ccc(C[N@@H+]2CCCn3cnc(COCC4CC4)c3C2)s1 ZINC000096059020 563978773 /nfs/dbraw/zinc/97/87/73/563978773.db2.gz HWNSPVGLEJBWFH-UHFFFAOYSA-N 1 1 331.485 3.586 40 0 EHABMO Cc1ccc(C[N@H+]2CCCn3cnc(COCC4CC4)c3C2)s1 ZINC000096059020 563978774 /nfs/dbraw/zinc/97/87/74/563978774.db2.gz HWNSPVGLEJBWFH-UHFFFAOYSA-N 1 1 331.485 3.586 40 0 EHABMO Cc1ccc(C[N@H+]2CCC[C@@]3(CCN(Cc4nccs4)C3)C2)o1 ZINC000096215872 563980315 /nfs/dbraw/zinc/98/03/15/563980315.db2.gz RFZRQIIELBVARG-GOSISDBHSA-N 1 1 331.485 3.533 40 0 EHABMO [NH3+][C@H]1C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1Cl ZINC000072227257 563985978 /nfs/dbraw/zinc/98/59/78/563985978.db2.gz YETXTGKMLZTTCQ-KGLIPLIRSA-N 1 1 325.170 3.548 40 0 EHABMO Cc1ccc(N2C(=O)[C@@H]([NH3+])[C@H]2c2ccc(C(F)(F)F)cc2)cc1C ZINC000072227878 563985990 /nfs/dbraw/zinc/98/59/90/563985990.db2.gz LCGQAEORBBTNAE-JKSUJKDBSA-N 1 1 334.341 3.737 40 0 EHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(Cl)cc1F ZINC000143226154 564000990 /nfs/dbraw/zinc/00/09/90/564000990.db2.gz JDRBOOIXRASKGA-UHFFFAOYSA-N 1 1 343.789 3.903 40 0 EHABMO CCOc1ccc(C(=O)NCCC[N@H+]2CCC[C@@H](C)C2)cc1Cl ZINC000222639744 564037255 /nfs/dbraw/zinc/03/72/55/564037255.db2.gz SDTFOIJEYRQYHR-CQSZACIVSA-N 1 1 338.879 3.591 40 0 EHABMO C[C@@H]1CCC[N@@H+](CCCNC(=O)C2(c3ccccc3)CCCC2)C1 ZINC000224425431 564042696 /nfs/dbraw/zinc/04/26/96/564042696.db2.gz GYZGKQIJWQNWME-GOSISDBHSA-N 1 1 328.500 3.737 40 0 EHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)Cc1cccc(Cl)c1 ZINC000224716720 564043581 /nfs/dbraw/zinc/04/35/81/564043581.db2.gz RDZJIZXGFOWMQF-UHFFFAOYSA-N 1 1 339.826 3.693 40 0 EHABMO COc1cc(C)c(C(=O)NCCC[N@H+]2CCC[C@H](C)C2)cc1C(C)C ZINC000260801764 564052614 /nfs/dbraw/zinc/05/26/14/564052614.db2.gz LXOMFUQKBQPOML-INIZCTEOSA-N 1 1 346.515 3.979 40 0 EHABMO CC[C@](C)(OC)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260812444 564052626 /nfs/dbraw/zinc/05/26/26/564052626.db2.gz BNOLJANVSRFANS-UZLBHIALSA-N 1 1 348.487 3.693 40 0 EHABMO COC(C)(C)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260818183 564052659 /nfs/dbraw/zinc/05/26/59/564052659.db2.gz WVTPXWAGCIVBIE-MRXNPFEDSA-N 1 1 348.487 3.693 40 0 EHABMO Cc1nc(COCC[C@H]2C[N@H+](C3CCCC3)Cc3ccnn32)cs1 ZINC000248034275 564052932 /nfs/dbraw/zinc/05/29/32/564052932.db2.gz MXLTXBXUZHJFPC-SFHVURJKSA-N 1 1 346.500 3.554 40 0 EHABMO CC(=O)NCc1cccc([C@H]2CCC[N@H+]2Cc2cccc3[nH]ccc32)n1 ZINC000257332567 564055625 /nfs/dbraw/zinc/05/56/25/564055625.db2.gz XXWPFDNHXZXDIV-OAQYLSRUSA-N 1 1 348.450 3.536 40 0 EHABMO COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)[C@@H]3CCCC[C@H]3[NH2+]2)cc1 ZINC000238808733 564087942 /nfs/dbraw/zinc/08/79/42/564087942.db2.gz ORASFJUSJVJPBV-FGTMMUONSA-N 1 1 346.471 3.888 40 0 EHABMO Cc1nc2sccn2c1CN1CCCCC[C@@H]2[N@@H+](C)CC[C@@]21C ZINC000019713351 564128090 /nfs/dbraw/zinc/12/80/90/564128090.db2.gz ZJQXLAIVJMOZCH-WMZOPIPTSA-N 1 1 332.517 3.543 40 0 EHABMO CC(=O)N1CC[C@@H]2[C@H]1CCCC[N@H+]2Cc1ccc(-c2ccccn2)cc1 ZINC000019712586 564128106 /nfs/dbraw/zinc/12/81/06/564128106.db2.gz WNENZXUDPJMBIS-FGZHOGPDSA-N 1 1 349.478 3.724 40 0 EHABMO C[C@@H]1C[C@]2(C)Oc3ccccc3C[C@H]2[C@H](C)[C@@H]1C[NH2+]CCCN(C)C ZINC000004026978 210102928 /nfs/dbraw/zinc/10/29/28/210102928.db2.gz LNUAAHAFERZTED-CYVQNBIGSA-N 1 1 344.543 3.830 40 0 EHABMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1F ZINC000035288578 213018166 /nfs/dbraw/zinc/01/81/66/213018166.db2.gz ADVCJNUBJAULPW-AYHJJNSGSA-N 1 1 338.426 3.751 40 0 EHABMO O=C(OCc1ccccc1F)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000072202911 216069673 /nfs/dbraw/zinc/06/96/73/216069673.db2.gz PGCLVXYMXCZCRX-UHFFFAOYSA-N 1 1 345.389 3.920 40 0 EHABMO Cc1cc(C)nc(Nc2cccc([C@@H]3CCC[N@H+](C(C)C)C3)n2)n1 ZINC000072375925 216179395 /nfs/dbraw/zinc/17/93/95/216179395.db2.gz AOBZKNIXHNUIGM-MRXNPFEDSA-N 1 1 325.460 3.820 40 0 EHABMO CCc1nccn1-c1cccc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000072379065 216180180 /nfs/dbraw/zinc/18/01/80/216180180.db2.gz GQGPIJRMKWJHAL-GOSISDBHSA-N 1 1 347.466 3.604 40 0 EHABMO Fc1ccc(Oc2cncc([C@@H]3CCC[N@H+]3C3CCOCC3)n2)cc1 ZINC000072384258 216185514 /nfs/dbraw/zinc/18/55/14/216185514.db2.gz WGKIOWXGOQSYCG-SFHVURJKSA-N 1 1 343.402 3.724 40 0 EHABMO Cc1ccccc1C[N@H+]1CCC[C@@H](c2nnc(-c3ccccn3)o2)C1 ZINC000072390040 216189463 /nfs/dbraw/zinc/18/94/63/216189463.db2.gz ACAIHUAVHMLIAE-QGZVFWFLSA-N 1 1 334.423 3.820 40 0 EHABMO Fc1cccc(Cc2cnc([C@@H]3CC[N@H+](Cc4cscn4)C3)o2)c1 ZINC000257208999 244142551 /nfs/dbraw/zinc/14/25/51/244142551.db2.gz BONNZRPYFPCTTE-CQSZACIVSA-N 1 1 343.427 3.851 40 0 EHABMO Fc1cccc(Cc2cnc([C@@H]3CC[N@@H+](Cc4cscn4)C3)o2)c1 ZINC000257208999 244142561 /nfs/dbraw/zinc/14/25/61/244142561.db2.gz BONNZRPYFPCTTE-CQSZACIVSA-N 1 1 343.427 3.851 40 0 EHABMO C[N@H+]1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1nccc2ccccc21 ZINC000257270152 244373074 /nfs/dbraw/zinc/37/30/74/244373074.db2.gz MSZGGKPSQMFKNL-YNFBMLRVSA-N 1 1 349.478 3.712 40 0 EHABMO COCCC[N@H+](Cc1cnn(C2CCCCC2)c1)Cc1ccccn1 ZINC000019593281 212050326 /nfs/dbraw/zinc/05/03/26/212050326.db2.gz BSJYLNAUNKMELE-UHFFFAOYSA-N 1 1 342.487 3.822 40 0 EHABMO COCCC[N@@H+](Cc1cnn(C2CCCCC2)c1)Cc1ccccn1 ZINC000019593281 212050328 /nfs/dbraw/zinc/05/03/28/212050328.db2.gz BSJYLNAUNKMELE-UHFFFAOYSA-N 1 1 342.487 3.822 40 0 EHABMO C[N@H+](Cc1c2cccnc2[nH]c1-c1ccco1)C[C@@H](O)c1ccccc1 ZINC000019586382 212049599 /nfs/dbraw/zinc/04/95/99/212049599.db2.gz VPVVMGPLEUXTFB-GOSISDBHSA-N 1 1 347.418 3.988 40 0 EHABMO C[N@H+]1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)c1cccnc1 ZINC000019590196 212049352 /nfs/dbraw/zinc/04/93/52/212049352.db2.gz WROKQPMXFVXEID-NJDAHSKKSA-N 1 1 349.478 3.564 40 0 EHABMO C[C@@H]1C[C@@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@H+]2C ZINC000019495815 212032444 /nfs/dbraw/zinc/03/24/44/212032444.db2.gz FVEFMSZTHXCPMG-ZKIDJSGLSA-N 1 1 326.484 3.511 40 0 EHABMO C[C@H]1CCCC[N@H+]1CC(C)(C)NC(=O)c1cc(-c2cccs2)on1 ZINC000019496360 212031936 /nfs/dbraw/zinc/03/19/36/212031936.db2.gz XTRSLEARKFBKTN-ZDUSSCGKSA-N 1 1 347.484 3.786 40 0 EHABMO CC(C)c1[nH+]ccn1CC(=O)Nc1cccc(CCc2ccncc2)c1 ZINC000019454435 212029618 /nfs/dbraw/zinc/02/96/18/212029618.db2.gz GOLHQQIJUOVFEL-UHFFFAOYSA-N 1 1 348.450 3.825 40 0 EHABMO c1csc(-c2noc([C@H]3CC[N@H+](CCc4ccccc4)C3)n2)c1 ZINC000019371217 212022846 /nfs/dbraw/zinc/02/28/46/212022846.db2.gz KKGJXXVJQALWNZ-HNNXBMFYSA-N 1 1 325.437 3.830 40 0 EHABMO Cc1cc2cc(C(=O)NC[C@@H](c3ccccc3F)[NH+](C)C)ccc2o1 ZINC000012198498 211318254 /nfs/dbraw/zinc/31/82/54/211318254.db2.gz WETSELJOAVKRNS-SFHVURJKSA-N 1 1 340.398 3.913 40 0 EHABMO COc1cccc(CN(Cc2ccco2)Cc2c[nH+]c(C)n2C)c1 ZINC000012143711 525922832 /nfs/dbraw/zinc/92/28/32/525922832.db2.gz YMPVCGQVGSEPFT-UHFFFAOYSA-N 1 1 325.412 3.533 40 0 EHABMO CCNc1cc([C@H]2CCC[N@@H+]2Cc2ccc(F)c(OC)c2)nc(C)n1 ZINC000257259964 535522889 /nfs/dbraw/zinc/52/28/89/535522889.db2.gz LAUKFCJDUBCDJQ-QGZVFWFLSA-N 1 1 344.434 3.702 40 0 EHABMO CCNc1cc([C@H]2CCC[N@H+]2Cc2ccc(F)c(OC)c2)nc(C)n1 ZINC000257259964 535522894 /nfs/dbraw/zinc/52/28/94/535522894.db2.gz LAUKFCJDUBCDJQ-QGZVFWFLSA-N 1 1 344.434 3.702 40 0 EHABMO CCOc1ccc2[nH]c(C)c(C[N@@H+](C)C3CCCCC3)c(=O)c2c1 ZINC000000948994 563366315 /nfs/dbraw/zinc/36/63/15/563366315.db2.gz PYTQTWIMKSSPDX-UHFFFAOYSA-N 1 1 328.456 4.000 40 0 EHABMO Cc1[nH+]ccn1CCCn1cncc1-c1ccc2c(c1)CC[C@H](C)N2C ZINC000019719345 563856644 /nfs/dbraw/zinc/85/66/44/563856644.db2.gz DJHKTRLWKXYDPR-INIZCTEOSA-N 1 1 349.482 3.916 40 0 EHABMO O=C(N1CCC[C@@]2(CCC[N@@H+]2Cc2ccc(F)cc2)CC1)C1(F)CC1 ZINC000585100371 563971359 /nfs/dbraw/zinc/97/13/59/563971359.db2.gz JOSOCOULMRAKRM-LJQANCHMSA-N 1 1 348.437 3.675 40 0 EHABMO O=C1N(Cc2cccc(F)c2)CC[C@@]12CC[N@@H+](Cc1cccs1)C2 ZINC000096050612 563978530 /nfs/dbraw/zinc/97/85/30/563978530.db2.gz OUMSEOHVYSPQCX-LJQANCHMSA-N 1 1 344.455 3.512 40 0 EHABMO Cc1ncsc1C[N@H+]1C[C@H]2CCC[C@@]2(COCc2ccncc2)C1 ZINC000096111040 563979285 /nfs/dbraw/zinc/97/92/85/563979285.db2.gz CBXZOCSLLNJLJR-MJGOQNOKSA-N 1 1 343.496 3.665 40 0 EHABMO COc1ccc(C[C@H]2C[N@H+](Cc3nc(C)cs3)CC[C@H]2OC)cc1 ZINC000096110264 563979299 /nfs/dbraw/zinc/97/92/99/563979299.db2.gz JFQZITPXYUVWRP-FUHWJXTLSA-N 1 1 346.496 3.540 40 0 EHABMO Cc1ccncc1COC[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccn1)C2 ZINC000096206329 563980156 /nfs/dbraw/zinc/98/01/56/563980156.db2.gz SQQZFUIVSRLSOA-CTNGQTDRSA-N 1 1 337.467 3.604 40 0 EHABMO CC(C)C(=O)N1C[C@H]2C[N@@H+](CC(c3ccccc3)c3ccccc3)[C@@H]2C1 ZINC000096244862 563980550 /nfs/dbraw/zinc/98/05/50/563980550.db2.gz ZMBLHFXFTKSPET-IFMALSPDSA-N 1 1 348.490 3.617 40 0 EHABMO Cc1ccc(N2C(=O)[C@H]([NH3+])[C@H]2c2ccc(C(F)(F)F)cc2)cc1C ZINC000072227880 563986007 /nfs/dbraw/zinc/98/60/07/563986007.db2.gz LCGQAEORBBTNAE-HZPDHXFCSA-N 1 1 334.341 3.737 40 0 EHABMO C[C@H]1C[C@@]2(C)Oc3ccccc3C[C@@H]2[C@@H](C)[C@@H]1C[NH2+]CCCN(C)C ZINC000013119899 564019556 /nfs/dbraw/zinc/01/95/56/564019556.db2.gz LNUAAHAFERZTED-WEAICFBNSA-N 1 1 344.543 3.830 40 0 EHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Cc2cccc(Cl)c2)cc1 ZINC000223362739 564039632 /nfs/dbraw/zinc/03/96/32/564039632.db2.gz JCVKWTRQXQWMER-UHFFFAOYSA-N 1 1 339.826 3.693 40 0 EHABMO CC[C@H](C)NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225573861 564047910 /nfs/dbraw/zinc/04/79/10/564047910.db2.gz KIOFVCOCRRTEED-LBPRGKRZSA-N 1 1 326.843 3.606 40 0 EHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=S)Nc1c(F)cccc1F ZINC000225582381 564047997 /nfs/dbraw/zinc/04/79/97/564047997.db2.gz LVOANNZBEYEXKS-CYBMUJFWSA-N 1 1 341.471 3.906 40 0 EHABMO COC(C)(C)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225599744 564048206 /nfs/dbraw/zinc/04/82/06/564048206.db2.gz WVTPXWAGCIVBIE-INIZCTEOSA-N 1 1 348.487 3.693 40 0 EHABMO Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@@H]32)s1 ZINC000248119192 564052988 /nfs/dbraw/zinc/05/29/88/564052988.db2.gz ULHVZKGBOYPKKL-BPQIPLTHSA-N 1 1 344.480 3.510 40 0 EHABMO Cc1ccccc1O[C@H]1CCCC[C@@H]1[N@H+]1CCN[C@@H]2CCCC[C@@H]21 ZINC000225714502 564150408 /nfs/dbraw/zinc/15/04/08/564150408.db2.gz AYRHIEIVWIXGOF-JKBKZWBZSA-N 1 1 328.500 3.901 40 0 EHABMO Cc1ccccc1O[C@H]1CCCC[C@@H]1N1CC[NH2+][C@@H]2CCCC[C@@H]21 ZINC000225714502 564150409 /nfs/dbraw/zinc/15/04/09/564150409.db2.gz AYRHIEIVWIXGOF-JKBKZWBZSA-N 1 1 328.500 3.901 40 0 EHABMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)NC1CCC(C(F)F)CC1 ZINC000528011204 1031590571 /nfs/dbraw/zinc/59/05/71/1031590571.db2.gz OMJVNWIEDXELBW-XUJLQICISA-N 1 1 343.462 3.517 40 0 EHABMO O[C@H](C[N@H+]1CCC[C@H](COc2ccc(F)cc2)C1)c1cccs1 ZINC000036743825 213115889 /nfs/dbraw/zinc/11/58/89/213115889.db2.gz YEDVRDIEBWBOLX-WMLDXEAASA-N 1 1 335.444 3.712 40 0 EHABMO Fc1ccc2[nH]c([C@H]3CC[N@@H+](Cc4ccc(F)c(F)c4)C3)nc2c1 ZINC000035446599 213029170 /nfs/dbraw/zinc/02/91/70/213029170.db2.gz VREBLQOOFYXCOJ-LBPRGKRZSA-N 1 1 331.341 3.970 40 0 biogenic,in-vitro EHABMO Fc1ccc2nc([C@H]3CC[N@H+](Cc4ccc(F)c(F)c4)C3)[nH]c2c1 ZINC000035446599 213029173 /nfs/dbraw/zinc/02/91/73/213029173.db2.gz VREBLQOOFYXCOJ-LBPRGKRZSA-N 1 1 331.341 3.970 40 0 biogenic,in-vitro EHABMO Fc1ccc2nc([C@H]3CC[N@@H+](Cc4ccc(F)c(F)c4)C3)[nH]c2c1 ZINC000035446599 213029176 /nfs/dbraw/zinc/02/91/76/213029176.db2.gz VREBLQOOFYXCOJ-LBPRGKRZSA-N 1 1 331.341 3.970 40 0 biogenic,in-vitro EHABMO Cc1cccc(-c2cncc([C@@H]3CCC[N@H+](C4CCOCC4)C3)n2)c1 ZINC000072359745 216166515 /nfs/dbraw/zinc/16/65/15/216166515.db2.gz KNCMBTPKODJUAW-GOSISDBHSA-N 1 1 337.467 3.810 40 0 EHABMO Cc1cc(C)nc(Nc2cccc([C@H]3CCC[N@@H+](CC4CC4)C3)n2)n1 ZINC000072375998 216179221 /nfs/dbraw/zinc/17/92/21/216179221.db2.gz QCOJYBGPKICFPR-KRWDZBQOSA-N 1 1 337.471 3.821 40 0 EHABMO COc1cccc(-c2noc([C@H]3CC[N@@H+](Cc4cccs4)C3)n2)c1 ZINC000072369860 216178087 /nfs/dbraw/zinc/17/80/87/216178087.db2.gz JABXVNZVZOFMOL-AWEZNQCLSA-N 1 1 341.436 3.796 40 0 EHABMO c1ccc(CC[N@H+]2CCC[C@H](c3nnc(-c4ccccn4)o3)C2)cc1 ZINC000072390027 216189024 /nfs/dbraw/zinc/18/90/24/216189024.db2.gz WQDUFNWPQZWUQW-KRWDZBQOSA-N 1 1 334.423 3.554 40 0 EHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)Cc1cc(C)ccc1C ZINC000216322885 241182376 /nfs/dbraw/zinc/18/23/76/241182376.db2.gz GKYUTMCVNJWQOC-UHFFFAOYSA-N 1 1 333.435 3.656 40 0 EHABMO CC[n+]1cc(Br)cc(-c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000226774386 242115251 /nfs/dbraw/zinc/11/52/51/242115251.db2.gz XYPATBBNUHJUMW-UHFFFAOYSA-N 1 1 337.628 3.953 40 0 EHABMO C[N@H+]1CCC[C@@H](c2cccc(N3CC4(CCCCC4)OC3=O)n2)C1 ZINC000257224016 244194629 /nfs/dbraw/zinc/19/46/29/244194629.db2.gz DZXWBBBBKKOZNX-OAHLLOKOSA-N 1 1 329.444 3.550 40 0 EHABMO CCN1CC[NH+]([C@@H](c2c(C)[nH]c3ccccc32)c2cccnc2)CC1 ZINC000020192572 212109218 /nfs/dbraw/zinc/10/92/18/212109218.db2.gz SVZFZLJWUPBJMM-OAQYLSRUSA-N 1 1 334.467 3.598 40 0 EHABMO CC[N@@H+](C)[C@@H]1CN(C(=O)Cc2ccc(F)cc2)C2(C1)CCCCC2 ZINC000257250687 244268908 /nfs/dbraw/zinc/26/89/08/244268908.db2.gz JNNRMYHROIPIBF-SFHVURJKSA-N 1 1 332.463 3.624 40 0 EHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CCCOc1ccccc1 ZINC000019931696 212085531 /nfs/dbraw/zinc/08/55/31/212085531.db2.gz KNSMPTLQGAJBKX-UHFFFAOYSA-N 1 1 349.434 3.656 40 0 EHABMO Cc1cc(C)n(CCC[N@H+](C)Cc2cnn(-c3ccc(C)cc3)c2)n1 ZINC000019719791 212057181 /nfs/dbraw/zinc/05/71/81/212057181.db2.gz ICLMZKIMJAFNLW-UHFFFAOYSA-N 1 1 337.471 3.516 40 0 EHABMO Cc1c2cc(C)ccc2[nH]c1-c1cncn1[C@H](C)C[NH+]1CCOCC1 ZINC000019719532 212056895 /nfs/dbraw/zinc/05/68/95/212056895.db2.gz KZTWXRGYWBGCBS-OAHLLOKOSA-N 1 1 338.455 3.541 40 0 EHABMO C[N@@H+](CCc1ccncc1)Cc1c2cccnc2[nH]c1-c1ccco1 ZINC000019586291 212048114 /nfs/dbraw/zinc/04/81/14/212048114.db2.gz LVQKJNFYOXWZIT-UHFFFAOYSA-N 1 1 332.407 3.892 40 0 EHABMO c1ccc(C[C@H]2C[N@H+](CC3CC3)CC[C@@H]2OCC2CCOCC2)cc1 ZINC000096209853 218686600 /nfs/dbraw/zinc/68/66/00/218686600.db2.gz FLEBJYZHURQOMB-VXKWHMMOSA-N 1 1 343.511 3.773 40 0 EHABMO Cc1ccc(NC(=O)C[N@H+](C)C2CCCCC2)cc1Br ZINC000005000516 210356215 /nfs/dbraw/zinc/35/62/15/210356215.db2.gz OEMAMHMFZNHULL-UHFFFAOYSA-N 1 1 339.277 3.961 40 0 EHABMO Cc1ccc([C@@H](c2nnnn2C(C)(C)C)[NH+]2CCC(C)CC2)cc1 ZINC000004847738 210299729 /nfs/dbraw/zinc/29/97/29/210299729.db2.gz CSXVYXLMDSGRFU-KRWDZBQOSA-N 1 1 327.476 3.558 40 0 EHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCCCc2ccccc2)cc1 ZINC000044909332 563928153 /nfs/dbraw/zinc/92/81/53/563928153.db2.gz JVXDRGFUTDGQNL-UHFFFAOYSA-N 1 1 333.435 3.602 40 0 EHABMO Cc1cc(C)c(-n2cccn2)c(C[N@H+](C)Cc2[nH]nc3c2CCCC3)c1 ZINC000057811463 563935889 /nfs/dbraw/zinc/93/58/89/563935889.db2.gz JZZYDZZYHWZWOZ-UHFFFAOYSA-N 1 1 349.482 3.723 40 0 EHABMO Cc1cc(C)c(-n2cccn2)c(C[N@@H+](C)Cc2[nH]nc3c2CCCC3)c1 ZINC000057811463 563935890 /nfs/dbraw/zinc/93/58/90/563935890.db2.gz JZZYDZZYHWZWOZ-UHFFFAOYSA-N 1 1 349.482 3.723 40 0 EHABMO CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc3c(c1)CCC3)CC2 ZINC000585100703 563971406 /nfs/dbraw/zinc/97/14/06/563971406.db2.gz UEYQEEUUTFWMIQ-OAQYLSRUSA-N 1 1 326.484 3.542 40 0 EHABMO Cc1ccccc1O[C@@H]1CCC[C@H]([N@@H+](C)Cc2ccccc2)[C@H]1O ZINC000585288711 563982058 /nfs/dbraw/zinc/98/20/58/563982058.db2.gz ILKAUEWYYUXZMW-CEWLAPEOSA-N 1 1 325.452 3.788 40 0 EHABMO c1ccc(C[N@H+]2CCCC[C@H]2c2cccnc2N2CCOCC2)cc1 ZINC000072216249 563985485 /nfs/dbraw/zinc/98/54/85/563985485.db2.gz OQFIYKSUWYUJNN-FQEVSTJZSA-N 1 1 337.467 3.645 40 0 EHABMO [NH3+][C@@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000072227254 563985950 /nfs/dbraw/zinc/98/59/50/563985950.db2.gz YETXTGKMLZTTCQ-UONOGXRCSA-N 1 1 325.170 3.548 40 0 EHABMO C=C1[NH+]=C(SCC)N[C@@H](c2ccccc2OCC)C1C(=O)OCC ZINC000408994730 564008788 /nfs/dbraw/zinc/00/87/88/564008788.db2.gz ZWTZOJRZAAGOJV-INIZCTEOSA-N 1 1 348.468 3.676 40 0 EHABMO COc1ccccc1-c1nnc([C@H]2CC[N@@H+](Cc3cccs3)C2)o1 ZINC000049170052 564032628 /nfs/dbraw/zinc/03/26/28/564032628.db2.gz JXWOJOLXKLLUIF-ZDUSSCGKSA-N 1 1 341.436 3.796 40 0 biogenic,in-vitro EHABMO C[C@H]1CCC[N@@H+](CCCOc2ccc(NC(=O)C(F)(F)F)cc2)C1 ZINC000225587292 564048048 /nfs/dbraw/zinc/04/80/48/564048048.db2.gz JOFNPZKRMNGYKC-ZDUSSCGKSA-N 1 1 344.377 3.688 40 0 EHABMO CCC[NH+](CCC)CN1C(=O)S/C(=C/c2cccc(OC)c2)C1=O ZINC000059419001 564050741 /nfs/dbraw/zinc/05/07/41/564050741.db2.gz GJNQWHVZZWRZLP-FOWTUZBSSA-N 1 1 348.468 3.811 40 0 EHABMO CCOc1ccc(C(=O)NCCC[N@H+]2CCC[C@H](C)C2)cc1Cl ZINC000260815120 564052619 /nfs/dbraw/zinc/05/26/19/564052619.db2.gz SDTFOIJEYRQYHR-AWEZNQCLSA-N 1 1 338.879 3.591 40 0 EHABMO C[N@@H+](Cc1ccco1)[C@@H]1CCC[C@@H]2CN(C(=O)c3ccccc3)C[C@H]21 ZINC000248120008 564052973 /nfs/dbraw/zinc/05/29/73/564052973.db2.gz MXPXKLFLAOYKER-MISYRCLQSA-N 1 1 338.451 3.652 40 0 EHABMO Cc1noc(C)c1-c1cccc(C[C@H]2CC[N@@H+](Cc3ccncc3)C2)n1 ZINC000257279312 564054625 /nfs/dbraw/zinc/05/46/25/564054625.db2.gz OGAKEWQIIGAXBZ-GOSISDBHSA-N 1 1 348.450 3.813 40 0 EHABMO Cc1cc(Nc2ccc(F)cn2)cc([C@@H]2CC[N@@H+](CC3CC3)C2)n1 ZINC000257335121 564055680 /nfs/dbraw/zinc/05/56/80/564055680.db2.gz YISZPKXGVDYBIH-OAHLLOKOSA-N 1 1 326.419 3.867 40 0 EHABMO c1csc(-c2cnc3n2CC[C@]32CC[N@H+](Cc3nccs3)C2)c1 ZINC000306137996 564062230 /nfs/dbraw/zinc/06/22/30/564062230.db2.gz RLXUFSXEWWXGDF-KRWDZBQOSA-N 1 1 342.493 3.616 40 0 EHABMO c1csc(C[N@@H+]2C[C@H]3Cc4ncc(-c5ccccc5)n4C[C@@H]3C2)c1 ZINC000306139515 564062310 /nfs/dbraw/zinc/06/23/10/564062310.db2.gz SZFJIVDQMYWURB-SJORKVTESA-N 1 1 335.476 3.916 40 0 EHABMO CC(C)(C)c1cc(CC2([NH2+]Cc3cccc(Cl)c3)COC2)no1 ZINC000067897829 215245418 /nfs/dbraw/zinc/24/54/18/215245418.db2.gz WDSDNLOUBYTCEU-UHFFFAOYSA-N 1 1 334.847 3.727 40 0 biogenic,in-vitro EHABMO CC(C)(C)c1cc(CC2([NH2+]Cc3ccc(Cl)cc3)COC2)no1 ZINC000067897830 215246111 /nfs/dbraw/zinc/24/61/11/215246111.db2.gz XXDKMVVPFNMTBG-UHFFFAOYSA-N 1 1 334.847 3.727 40 0 biogenic,in-vitro EHABMO C[N@@H+](Cc1ccc(Cl)nc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000072203343 216068845 /nfs/dbraw/zinc/06/88/45/216068845.db2.gz GQFJNTBRETZRAV-AWEZNQCLSA-N 1 1 339.867 3.566 40 0 EHABMO CC(C)CC(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000072330385 216155472 /nfs/dbraw/zinc/15/54/72/216155472.db2.gz WKUPEBRNSDFFTQ-XLIONFOSSA-N 1 1 331.504 3.653 40 0 EHABMO Fc1cccc(-c2nccnc2[C@@H]2CCC[N@H+](C3CCOCC3)C2)c1 ZINC000072359069 216165744 /nfs/dbraw/zinc/16/57/44/216165744.db2.gz RYALPRMANCDBAI-MRXNPFEDSA-N 1 1 341.430 3.641 40 0 EHABMO Cc1nccn1-c1cncc([C@@H]2CCC[N@@H+](Cc3cccc(C)c3)C2)n1 ZINC000072355460 216164197 /nfs/dbraw/zinc/16/41/97/216164197.db2.gz RNKSFARSRULMSJ-LJQANCHMSA-N 1 1 347.466 3.659 40 0 EHABMO CC(C)c1nccn1-c1cncc([C@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000072378641 216180496 /nfs/dbraw/zinc/18/04/96/216180496.db2.gz GOQJYYXGNLCWIK-GOSISDBHSA-N 1 1 348.454 3.518 40 0 EHABMO CC(C)c1nccn1-c1cncc([C@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000072378641 216180500 /nfs/dbraw/zinc/18/05/00/216180500.db2.gz GOQJYYXGNLCWIK-GOSISDBHSA-N 1 1 348.454 3.518 40 0 EHABMO Fc1ccc(C[N@H+]2CCC[C@H](c3cccc(-n4ccnc4)n3)C2)cc1 ZINC000072378645 216180548 /nfs/dbraw/zinc/18/05/48/216180548.db2.gz XSMJLORTTPPSQU-KRWDZBQOSA-N 1 1 336.414 3.786 40 0 EHABMO Clc1ccc(C[N@H+]2CC[C@@H](c3nc(-c4ccncc4)no3)C2)cc1 ZINC000072389912 216189582 /nfs/dbraw/zinc/18/95/82/216189582.db2.gz NZZZRXSRLRHTTG-OAHLLOKOSA-N 1 1 340.814 3.775 40 0 EHABMO CC[C@@H](Oc1cccc(C)c1)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020492524 212139168 /nfs/dbraw/zinc/13/91/68/212139168.db2.gz XUYKJJGQDOBIFX-WSTZPKSXSA-N 1 1 346.515 3.637 40 0 EHABMO Cc1cc(C[NH+]2CCC(c3cccc(Nc4ccccn4)n3)CC2)no1 ZINC000257268872 244370064 /nfs/dbraw/zinc/37/00/64/244370064.db2.gz MNPOANGAIKUWIJ-UHFFFAOYSA-N 1 1 349.438 3.896 40 0 EHABMO Fc1ccccc1C[N@H+]1CC[C@@H](c2nc(-c3cccs3)no2)C1 ZINC000019348838 212020044 /nfs/dbraw/zinc/02/00/44/212020044.db2.gz OABYAYOXLKKKQK-CYBMUJFWSA-N 1 1 329.400 3.927 40 0 EHABMO COc1ccc2cc(C[N@@H+](CCO)Cc3cccs3)ccc2c1 ZINC000012327152 211348825 /nfs/dbraw/zinc/34/88/25/211348825.db2.gz DSTKJMRVRLSXND-UHFFFAOYSA-N 1 1 327.449 3.904 40 0 EHABMO COc1ccc(C[N@@H+]2CCCCC[C@@H]2c2ccn(C)n2)cc1OC ZINC000012120264 211297759 /nfs/dbraw/zinc/29/77/59/211297759.db2.gz AMRAXHGJWUDODW-QGZVFWFLSA-N 1 1 329.444 3.555 40 0 EHABMO COc1ccc(C[N@H+]2CCCCC[C@@H]2c2ccn(C)n2)cc1OC ZINC000012120264 211297763 /nfs/dbraw/zinc/29/77/63/211297763.db2.gz AMRAXHGJWUDODW-QGZVFWFLSA-N 1 1 329.444 3.555 40 0 EHABMO C[C@H](c1ccccc1)[N@H+]1C[C@H](c2ccccc2)[C@H]2C(=O)CCOC[C@H]21 ZINC000095951560 218460054 /nfs/dbraw/zinc/46/00/54/218460054.db2.gz OTTGOHHGLRLZIS-KREFBHGWSA-N 1 1 335.447 3.821 40 0 EHABMO C[C@H]1CCC[N@@H+](CCCNC(=S)Nc2cccc(Cl)c2)C1 ZINC000044080858 563926148 /nfs/dbraw/zinc/92/61/48/563926148.db2.gz ZABKVAUWRWODAL-ZDUSSCGKSA-N 1 1 325.909 3.748 40 0 EHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N2c3ccccc3C[C@H]2C)cc1 ZINC000044913178 563928284 /nfs/dbraw/zinc/92/82/84/563928284.db2.gz DIDSQURGRMTGQV-OAHLLOKOSA-N 1 1 331.419 3.831 40 0 EHABMO O=C(N1CCC[C@]2(CCC[N@@H+]2Cc2cccc(F)c2)CC1)C1(F)CC1 ZINC000585100418 563971353 /nfs/dbraw/zinc/97/13/53/563971353.db2.gz UCEOTGOBDJCUFW-IBGZPJMESA-N 1 1 348.437 3.675 40 0 EHABMO CC(C)C[N@H+]1CC[C@]12CCCN(C(=O)CCc1ccc(Cl)cc1)C2 ZINC000585101784 563971477 /nfs/dbraw/zinc/97/14/77/563971477.db2.gz GGTIMJSCWDGDGO-FQEVSTJZSA-N 1 1 348.918 3.996 40 0 EHABMO c1coc(C[N@@H+]2CC[C@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C2)c1 ZINC000096046091 563978006 /nfs/dbraw/zinc/97/80/06/563978006.db2.gz ZCQFPPZSNICEID-IAOVAPTHSA-N 1 1 330.453 3.966 40 0 EHABMO c1coc(C[N@H+]2CC[C@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C2)c1 ZINC000096046091 563978007 /nfs/dbraw/zinc/97/80/07/563978007.db2.gz ZCQFPPZSNICEID-IAOVAPTHSA-N 1 1 330.453 3.966 40 0 EHABMO Cc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccco4)[C@@H]3C2)o1 ZINC000096054596 563978681 /nfs/dbraw/zinc/97/86/81/563978681.db2.gz DXSBUYCZZPYIQT-CGTJXYLNSA-N 1 1 342.439 3.554 40 0 EHABMO COc1ccc(C[C@H]2C[N@H+](Cc3scnc3C)CC[C@@H]2OC)cc1 ZINC000096110577 563979281 /nfs/dbraw/zinc/97/92/81/563979281.db2.gz MXHPXODEVMWDTF-WMZOPIPTSA-N 1 1 346.496 3.540 40 0 EHABMO Cc1cc(C[N@H+]2CC[C@H](OCC3CC3)[C@@H](Cc3ccccc3)C2)no1 ZINC000096207097 563980170 /nfs/dbraw/zinc/98/01/70/563980170.db2.gz AUDORJIJZTXRJL-FPOVZHCZSA-N 1 1 340.467 3.843 40 0 EHABMO O=C(CCc1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000096621956 563980902 /nfs/dbraw/zinc/98/09/02/563980902.db2.gz QQRXQSVWELLZRW-UHFFFAOYSA-N 1 1 342.870 3.617 40 0 EHABMO O[C@]1(COc2ccccc2)CCC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000585270082 563981387 /nfs/dbraw/zinc/98/13/87/563981387.db2.gz DTQHXHOQXHWMNH-OAQYLSRUSA-N 1 1 336.435 3.574 40 0 EHABMO Cc1cc(N(C)C)[nH+]cc1[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072218675 563985691 /nfs/dbraw/zinc/98/56/91/563985691.db2.gz GRKLFIFPSXVTGP-SFHVURJKSA-N 1 1 339.439 3.930 40 0 EHABMO O[C@H](CC[NH+]1CCOCC1)c1ccc(Sc2ccccc2)cc1 ZINC000031924637 564024345 /nfs/dbraw/zinc/02/43/45/564024345.db2.gz AZTRQXRPMSNRGO-LJQANCHMSA-N 1 1 329.465 3.594 40 0 EHABMO Cc1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccc(F)cn3)no2)cc1 ZINC000049155408 564032670 /nfs/dbraw/zinc/03/26/70/564032670.db2.gz JILNACCSXWCUNS-KRWDZBQOSA-N 1 1 338.386 3.916 40 0 biogenic,in-vitro EHABMO Cc1ccc(C[N@H+]2CCC[C@H]2c2nc(-c3ccc(F)cn3)no2)cc1 ZINC000049155408 564032671 /nfs/dbraw/zinc/03/26/71/564032671.db2.gz JILNACCSXWCUNS-KRWDZBQOSA-N 1 1 338.386 3.916 40 0 biogenic,in-vitro EHABMO C[N@@H+](CCN)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000033901831 564050213 /nfs/dbraw/zinc/05/02/13/564050213.db2.gz NDAWUPLIPPNPGL-JOFXYRRGSA-N 1 1 348.575 3.649 40 0 EHABMO CN(CC[NH3+])[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000033901831 564050214 /nfs/dbraw/zinc/05/02/14/564050214.db2.gz NDAWUPLIPPNPGL-JOFXYRRGSA-N 1 1 348.575 3.649 40 0 EHABMO Cc1ccc(C(=O)N2CCC3(CC[N@H+](C)C3)CC2)cc1C(F)(F)F ZINC000063527706 564066342 /nfs/dbraw/zinc/06/63/42/564066342.db2.gz FHBHQHQFVCBQDV-UHFFFAOYSA-N 1 1 340.389 3.572 40 0 EHABMO CC[C@H](C)Nc1cc(N2CCc3cc([C@@H](C)O)ccc3C2)[nH+]c(C)n1 ZINC000328975450 564071103 /nfs/dbraw/zinc/07/11/03/564071103.db2.gz FKOMKYHTCLJQNL-UONOGXRCSA-N 1 1 340.471 3.611 40 0 EHABMO O=C(OCc1ccccc1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000575447510 564079793 /nfs/dbraw/zinc/07/97/93/564079793.db2.gz AUGRQMMVNGVQLT-WOJBJXKFSA-N 1 1 336.435 3.530 40 0 EHABMO CCC[NH+]1CCN(C(=O)c2ncoc2-c2ccc3ccccc3c2)CC1 ZINC000057728897 564087906 /nfs/dbraw/zinc/08/79/06/564087906.db2.gz JDJALZAKEPHASC-UHFFFAOYSA-N 1 1 349.434 3.663 40 0 EHABMO C[NH+]1CCN(C(=O)/C(=C/c2ccccc2Cl)c2ccccc2)CC1 ZINC000008091692 564127084 /nfs/dbraw/zinc/12/70/84/564127084.db2.gz XYJWYTGXTIHKMW-OBGWFSINSA-N 1 1 340.854 3.655 40 0 EHABMO COc1ccc([C@@H]([NH3+])c2nnc(-c3ccc(C(C)(C)C)cc3)[nH]2)cc1 ZINC000095533740 564141642 /nfs/dbraw/zinc/14/16/42/564141642.db2.gz VVXNSBURJHBTHJ-QGZVFWFLSA-N 1 1 336.439 3.826 40 0 EHABMO CC(=O)c1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000038858270 213228091 /nfs/dbraw/zinc/22/80/91/213228091.db2.gz PESFOBBSKWJSFO-LJQANCHMSA-N 1 1 336.435 3.740 40 0 EHABMO CC(C)CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038832391 213226376 /nfs/dbraw/zinc/22/63/76/213226376.db2.gz QNMHFFIZRJGZRO-CQSZACIVSA-N 1 1 343.298 3.978 40 0 EHABMO CC(C)CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038832391 213226379 /nfs/dbraw/zinc/22/63/79/213226379.db2.gz QNMHFFIZRJGZRO-CQSZACIVSA-N 1 1 343.298 3.978 40 0 EHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(OC(C)C)cc1 ZINC000038773218 213225272 /nfs/dbraw/zinc/22/52/72/213225272.db2.gz IIVDLUDRNASRML-UHFFFAOYSA-N 1 1 349.434 3.898 40 0 EHABMO Cc1[nH+]ccn1-c1cccc(C2CCN(C(=O)c3ccccc3)CC2)n1 ZINC000072378868 216180390 /nfs/dbraw/zinc/18/03/90/216180390.db2.gz MXRPZJZLWFRHRK-UHFFFAOYSA-N 1 1 346.434 3.596 40 0 EHABMO c1ccc(CC[N@H+]2CCC[C@@H](c3nnc(-c4ccccn4)o3)C2)cc1 ZINC000072390028 216189956 /nfs/dbraw/zinc/18/99/56/216189956.db2.gz WQDUFNWPQZWUQW-QGZVFWFLSA-N 1 1 334.423 3.554 40 0 EHABMO Cc1cc(C)cc(NC(=S)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000225726362 242005750 /nfs/dbraw/zinc/00/57/50/242005750.db2.gz FYHNNORIXHVHPI-CALCHBBNSA-N 1 1 333.545 3.958 40 0 EHABMO Fc1ccc(NC(=S)NCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000225742709 242014088 /nfs/dbraw/zinc/01/40/88/242014088.db2.gz VSEWCLBKPOLQRC-UHFFFAOYSA-N 1 1 343.471 3.561 40 0 EHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Cc2ccc(C)c(C)c2)cc1 ZINC000020460781 212134017 /nfs/dbraw/zinc/13/40/17/212134017.db2.gz FSFWADOACHTDIB-UHFFFAOYSA-N 1 1 333.435 3.656 40 0 EHABMO CC[N@@H+](C)[C@@H]1CN(C(=O)CCc2ccccc2)C2(C1)CCCCC2 ZINC000257264875 244358811 /nfs/dbraw/zinc/35/88/11/244358811.db2.gz LWILLEPVGBKBPW-IBGZPJMESA-N 1 1 328.500 3.875 40 0 EHABMO C[NH+]1CCC2(CC1)CN(Cc1cccs1)Cc1ccccc1O2 ZINC000019588434 212048753 /nfs/dbraw/zinc/04/87/53/212048753.db2.gz RFKVIBDHWZXRHF-UHFFFAOYSA-N 1 1 328.481 3.607 40 0 EHABMO O[C@@](CC[NH+]1CCOCC1)(c1ccc(Cl)cc1)C1CCCCC1 ZINC000019332346 212016303 /nfs/dbraw/zinc/01/63/03/212016303.db2.gz WWXFMWHVRFPDMU-LJQANCHMSA-N 1 1 337.891 3.830 40 0 EHABMO COc1cccc(C[N@@H+]2CCCCC[C@H]2c2ccn(C)n2)c1OC ZINC000019291090 212012113 /nfs/dbraw/zinc/01/21/13/212012113.db2.gz RRNGZTDLVBTDCU-KRWDZBQOSA-N 1 1 329.444 3.555 40 0 EHABMO COc1cccc(C[N@H+]2CCCCC[C@H]2c2ccn(C)n2)c1OC ZINC000019291090 212012114 /nfs/dbraw/zinc/01/21/14/212012114.db2.gz RRNGZTDLVBTDCU-KRWDZBQOSA-N 1 1 329.444 3.555 40 0 EHABMO CC(=O)N1C[C@H](c2cccc(C)c2)[C@H]2C[N@H+](C3CCCC3)CC[C@H]21 ZINC000019235240 212007268 /nfs/dbraw/zinc/00/72/68/212007268.db2.gz LVCOKZFFAKWEIE-NJDAHSKKSA-N 1 1 326.484 3.574 40 0 EHABMO Cc1ccsc1C[N@@H+](Cc1c[nH]nc1-c1ccccc1)C[C@@H](C)O ZINC000012147044 211306297 /nfs/dbraw/zinc/30/62/97/211306297.db2.gz WZIVICRJRAVLEV-OAHLLOKOSA-N 1 1 341.480 3.830 40 0 EHABMO Cc1ccc(C(=O)N2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)o1 ZINC000096051592 218541946 /nfs/dbraw/zinc/54/19/46/218541946.db2.gz MVPQXXUPMJQDTA-SFHVURJKSA-N 1 1 342.439 3.698 40 0 EHABMO C[N@@H+](CCN)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118922725 221204048 /nfs/dbraw/zinc/20/40/48/221204048.db2.gz NDAWUPLIPPNPGL-ITZNTROMSA-N 1 1 348.575 3.649 40 0 EHABMO CN(CC[NH3+])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118922725 221204050 /nfs/dbraw/zinc/20/40/50/221204050.db2.gz NDAWUPLIPPNPGL-ITZNTROMSA-N 1 1 348.575 3.649 40 0 EHABMO CCCn1cc(C[N@H+](Cc2ccccc2)Cc2ccccc2CO)cn1 ZINC000257273664 535607913 /nfs/dbraw/zinc/60/79/13/535607913.db2.gz NHQFGIOWAJYDNM-UHFFFAOYSA-N 1 1 349.478 3.988 40 0 EHABMO CCCn1cc(C[N@@H+](Cc2ccccc2)Cc2ccccc2CO)cn1 ZINC000257273664 535607917 /nfs/dbraw/zinc/60/79/17/535607917.db2.gz NHQFGIOWAJYDNM-UHFFFAOYSA-N 1 1 349.478 3.988 40 0 EHABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=S)Nc2ccccc2Cl)C1 ZINC000044140354 563926259 /nfs/dbraw/zinc/92/62/59/563926259.db2.gz CQRHCIKLUVEXIY-OKILXGFUSA-N 1 1 339.936 3.994 40 0 EHABMO CC[C@@H](C)[N@H+]1CCC[C@@]2(CCC(=O)N2Cc2ccc(F)cc2)CC1 ZINC000585100074 563971380 /nfs/dbraw/zinc/97/13/80/563971380.db2.gz DYYWATQSCHSRIB-OXQOHEQNSA-N 1 1 332.463 3.971 40 0 EHABMO CC(C)C[N@H+]1CCC[C@@]2(CCC(=O)N2Cc2ccc(F)cc2)CC1 ZINC000585100633 563971424 /nfs/dbraw/zinc/97/14/24/563971424.db2.gz QXVHTVYFHBPGAB-HXUWFJFHSA-N 1 1 332.463 3.829 40 0 EHABMO CC(C)C[N@H+]1CC[C@@]12CCCN(C(=O)c1cc(Cl)ccc1F)C2 ZINC000585101820 563971447 /nfs/dbraw/zinc/97/14/47/563971447.db2.gz HLXMPNATYQRNJT-GOSISDBHSA-N 1 1 338.854 3.816 40 0 EHABMO C[C@H](c1ccccc1)[N@H+]1C[C@@H](c2ccccc2)[C@@H]2C(=O)CCOC[C@@H]21 ZINC000095951562 563977818 /nfs/dbraw/zinc/97/78/18/563977818.db2.gz OTTGOHHGLRLZIS-SYNNKVJXSA-N 1 1 335.447 3.821 40 0 EHABMO O=C1N(CC2CC2)c2ccccc2[C@@]12CC[N@@H+](Cc1cccs1)C2 ZINC000096100316 563979177 /nfs/dbraw/zinc/97/91/77/563979177.db2.gz FDOWNUZBIYNMOX-FQEVSTJZSA-N 1 1 338.476 3.648 40 0 EHABMO Fc1cccc(C[N@H+]2CC[C@]3(C2)CCCN(Cc2nccs2)C3)c1 ZINC000096215809 563980281 /nfs/dbraw/zinc/98/02/81/563980281.db2.gz WILAZDUQWKHPQA-LJQANCHMSA-N 1 1 345.487 3.770 40 0 EHABMO [NH3+][C@H]1C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000072227993 563986003 /nfs/dbraw/zinc/98/60/03/563986003.db2.gz DZYIOQCYLRLLKA-KGLIPLIRSA-N 1 1 340.732 3.774 40 0 EHABMO C[N@H+](Cc1ccc(OCc2ccccn2)cc1)C[C@H](O)c1ccccc1 ZINC000257343217 563999657 /nfs/dbraw/zinc/99/96/57/563999657.db2.gz ZRYFMUPVGTTZOK-QFIPXVFZSA-N 1 1 348.446 3.826 40 0 EHABMO c1coc(-c2nnc([C@H]3CC[N@H+](Cc4cnc5ccccc5c4)C3)o2)c1 ZINC000049169469 564032537 /nfs/dbraw/zinc/03/25/37/564032537.db2.gz GPWJCAKQGZLRSY-INIZCTEOSA-N 1 1 346.390 3.867 40 0 biogenic,in-vitro EHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc(F)c(F)c1 ZINC000225582481 564047999 /nfs/dbraw/zinc/04/79/99/564047999.db2.gz ZHKNSDQMJJYWNK-AWEZNQCLSA-N 1 1 341.471 3.906 40 0 EHABMO C[C@@H]1C[C@H](C)C[N@H+](CCOc2ccc(NC(=O)C(F)(F)F)cc2)C1 ZINC000225586903 564048061 /nfs/dbraw/zinc/04/80/61/564048061.db2.gz SADSGNAQDLANDR-BETUJISGSA-N 1 1 344.377 3.544 40 0 EHABMO Cc1cnc([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)s1 ZINC000257308202 564055212 /nfs/dbraw/zinc/05/52/12/564055212.db2.gz TVUYKPIMTVWFFO-OAHLLOKOSA-N 1 1 346.500 3.568 40 0 EHABMO CN1C[C@H]2[N@@H+](Cc3ccsc3)CC[C@@]2(c2ccccc2)CCC1=O ZINC000306143716 564062363 /nfs/dbraw/zinc/06/23/63/564062363.db2.gz YKHGBASRRORODF-UYAOXDASSA-N 1 1 340.492 3.513 40 0 EHABMO CC1(C)CN(c2cc(C3CC3)[nH+]c(NC3CC3)n2)Cc2ccccc21 ZINC000329066160 564072101 /nfs/dbraw/zinc/07/21/01/564072101.db2.gz XXSXDTNGZRLCQX-UHFFFAOYSA-N 1 1 334.467 3.648 40 0 EHABMO CC(C)(C)c1[nH]c2ncccc2c1CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000248199003 564124553 /nfs/dbraw/zinc/12/45/53/564124553.db2.gz SYCQOPTYMGTNAF-HNNXBMFYSA-N 1 1 326.488 3.531 40 0 EHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H](C)Oc1cccc(C)c1C ZINC000260529599 1017048158 /nfs/dbraw/zinc/04/81/58/1017048158.db2.gz RXZKIHHYUJKCKH-OALUTQOASA-N 1 1 346.515 3.842 40 0 EHABMO Cc1ccc(C(C)C)c(OCC(=O)NCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000060560800 214643332 /nfs/dbraw/zinc/64/33/32/214643332.db2.gz ZKRNJNBMNLYDPR-GOSISDBHSA-N 1 1 346.515 3.735 40 0 EHABMO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000037530348 213154425 /nfs/dbraw/zinc/15/44/25/213154425.db2.gz PSKUZPOGYZMETL-BOQPXBONSA-N 1 1 325.537 3.803 40 0 EHABMO O[C@@H](C[N@H+]1CCC[C@H](COc2ccccc2F)C1)c1cccs1 ZINC000036734331 213114282 /nfs/dbraw/zinc/11/42/82/213114282.db2.gz QCNGGSIXHAHXHM-HOCLYGCPSA-N 1 1 335.444 3.712 40 0 EHABMO FC(F)(F)c1ccc2[nH]c([C@H]3CC[N@@H+](Cc4cccnc4)C3)nc2c1 ZINC000035446702 213029021 /nfs/dbraw/zinc/02/90/21/213029021.db2.gz NAQRYLBQJWTGAH-ZDUSSCGKSA-N 1 1 346.356 3.966 40 0 biogenic,in-vitro EHABMO FC(F)(F)c1ccc2nc([C@H]3CC[N@H+](Cc4cccnc4)C3)[nH]c2c1 ZINC000035446702 213029024 /nfs/dbraw/zinc/02/90/24/213029024.db2.gz NAQRYLBQJWTGAH-ZDUSSCGKSA-N 1 1 346.356 3.966 40 0 biogenic,in-vitro EHABMO FC(F)(F)c1ccc2nc([C@H]3CC[N@@H+](Cc4cccnc4)C3)[nH]c2c1 ZINC000035446702 213029027 /nfs/dbraw/zinc/02/90/27/213029027.db2.gz NAQRYLBQJWTGAH-ZDUSSCGKSA-N 1 1 346.356 3.966 40 0 biogenic,in-vitro EHABMO FC(F)(F)c1ccc2[nH]c([C@H]3CC[N@@H+](Cc4ccncc4)C3)nc2c1 ZINC000035446705 213028317 /nfs/dbraw/zinc/02/83/17/213028317.db2.gz AIYYPDFZMOZYCY-ZDUSSCGKSA-N 1 1 346.356 3.966 40 0 biogenic,in-vitro EHABMO FC(F)(F)c1ccc2nc([C@H]3CC[N@H+](Cc4ccncc4)C3)[nH]c2c1 ZINC000035446705 213028321 /nfs/dbraw/zinc/02/83/21/213028321.db2.gz AIYYPDFZMOZYCY-ZDUSSCGKSA-N 1 1 346.356 3.966 40 0 biogenic,in-vitro EHABMO FC(F)(F)c1ccc2nc([C@H]3CC[N@@H+](Cc4ccncc4)C3)[nH]c2c1 ZINC000035446705 213028324 /nfs/dbraw/zinc/02/83/24/213028324.db2.gz AIYYPDFZMOZYCY-ZDUSSCGKSA-N 1 1 346.356 3.966 40 0 biogenic,in-vitro EHABMO COc1ccc2[nH]c([C@H]3CC[N@@H+](Cc4ccc(F)c(F)c4)C3)nc2c1 ZINC000035446754 213028292 /nfs/dbraw/zinc/02/82/92/213028292.db2.gz MXFMOTDEWPHQOX-ZDUSSCGKSA-N 1 1 343.377 3.839 40 0 biogenic,in-vitro EHABMO COc1ccc2nc([C@H]3CC[N@H+](Cc4ccc(F)c(F)c4)C3)[nH]c2c1 ZINC000035446754 213028296 /nfs/dbraw/zinc/02/82/96/213028296.db2.gz MXFMOTDEWPHQOX-ZDUSSCGKSA-N 1 1 343.377 3.839 40 0 biogenic,in-vitro EHABMO COc1ccc2nc([C@H]3CC[N@@H+](Cc4ccc(F)c(F)c4)C3)[nH]c2c1 ZINC000035446754 213028298 /nfs/dbraw/zinc/02/82/98/213028298.db2.gz MXFMOTDEWPHQOX-ZDUSSCGKSA-N 1 1 343.377 3.839 40 0 biogenic,in-vitro EHABMO Cc1cccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000035290361 213018723 /nfs/dbraw/zinc/01/87/23/213018723.db2.gz JWBIMEKBVSHDJS-ZNXRZULTSA-N 1 1 329.513 3.829 40 0 EHABMO COc1c(C)cccc1C[N@H+]1CCC[C@H]1c1cccc(-n2ccnc2)n1 ZINC000072366771 216172242 /nfs/dbraw/zinc/17/22/42/216172242.db2.gz OHTUGUDILZUIKQ-IBGZPJMESA-N 1 1 348.450 3.921 40 0 EHABMO CCc1nccn1-c1cccc([C@@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000072379061 216180359 /nfs/dbraw/zinc/18/03/59/216180359.db2.gz YYIVOVXIFDUAJS-SFHVURJKSA-N 1 1 333.439 3.562 40 0 EHABMO CCc1nccn1-c1cncc([C@@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000072378664 216181898 /nfs/dbraw/zinc/18/18/98/216181898.db2.gz VBOUGGBPGJGUSF-SFHVURJKSA-N 1 1 333.439 3.562 40 0 EHABMO COc1cccc(N(C)C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000225901976 242074608 /nfs/dbraw/zinc/07/46/08/242074608.db2.gz VMNRIIVPFVOTEL-SFHVURJKSA-N 1 1 338.451 3.570 40 0 EHABMO Cn1cncc1-c1cccc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000257235552 244225765 /nfs/dbraw/zinc/22/57/65/244225765.db2.gz GYHRYLIQBIVGJM-GOSISDBHSA-N 1 1 332.451 3.862 40 0 EHABMO c1cncc(C[N@@H+]2CCCC[C@@H]2c2ccc(Nc3cnccn3)nc2)c1 ZINC000257236059 244229909 /nfs/dbraw/zinc/22/99/09/244229909.db2.gz HAQHDELHUWJONL-GOSISDBHSA-N 1 1 346.438 3.737 40 0 EHABMO c1cncc(C[N@H+]2CCCC[C@@H]2c2ccc(Nc3cnccn3)nc2)c1 ZINC000257236059 244229912 /nfs/dbraw/zinc/22/99/12/244229912.db2.gz HAQHDELHUWJONL-GOSISDBHSA-N 1 1 346.438 3.737 40 0 EHABMO Cc1cccc(C[N@H+]2CCC[C@H]2c2ccnc(Nc3ncccn3)c2)n1 ZINC000257239240 244239147 /nfs/dbraw/zinc/23/91/47/244239147.db2.gz HOOGPERZHBUJHT-SFHVURJKSA-N 1 1 346.438 3.656 40 0 EHABMO CCn1ncc(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c1C ZINC000019523911 212037532 /nfs/dbraw/zinc/03/75/32/212037532.db2.gz LKUSTLHFCVPCRT-IBGZPJMESA-N 1 1 331.435 3.532 40 0 EHABMO CCn1ncc(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c1C ZINC000019523911 212037534 /nfs/dbraw/zinc/03/75/34/212037534.db2.gz LKUSTLHFCVPCRT-IBGZPJMESA-N 1 1 331.435 3.532 40 0 EHABMO O[C@@H](C[N@H+]1CCc2onc(-c3cccc(F)c3)c2C1)c1cccs1 ZINC000019294327 212012927 /nfs/dbraw/zinc/01/29/27/212012927.db2.gz LNFHWNFCEUDDAW-HNNXBMFYSA-N 1 1 344.411 3.634 40 0 EHABMO CCOc1cc2c(cc1C[NH2+]C1(c3ccc(OC)cc3)CC1)OCO2 ZINC000012361906 211355472 /nfs/dbraw/zinc/35/54/72/211355472.db2.gz DMSLMRZTCUARTC-UHFFFAOYSA-N 1 1 341.407 3.602 40 0 EHABMO CCCn1nc(C)c(C[N@H+](Cc2ccc(C)s2)C[C@H](C)O)c1C ZINC000012185892 211314487 /nfs/dbraw/zinc/31/44/87/211314487.db2.gz JEKJMVRPAOWOAL-ZDUSSCGKSA-N 1 1 335.517 3.663 40 0 EHABMO CC1(C)CC(N(Cc2cnc[nH]2)Cc2ccccc2)CC(C)(C)[NH2+]1 ZINC000012116748 211296653 /nfs/dbraw/zinc/29/66/53/211296653.db2.gz WHLACBLPMSCIOC-UHFFFAOYSA-N 1 1 326.488 3.721 40 0 EHABMO COC(=O)C1=CCC[C@@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@H]3C[C@H]12 ZINC000001711023 563406149 /nfs/dbraw/zinc/40/61/49/563406149.db2.gz DFDNBRUSLQYVNA-XVGQJIODSA-N 1 1 336.435 3.596 40 0 EHABMO Cc1ccc(C(=O)N2CCC[C@@H]([N@H+]3CCc4ccccc4C3)C2)cc1 ZINC000408611600 563498003 /nfs/dbraw/zinc/49/80/03/563498003.db2.gz UHGRKZAHYIIXBM-OAQYLSRUSA-N 1 1 334.463 3.658 40 0 EHABMO CC[C@H](C)c1ccccc1OC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000006356064 563565957 /nfs/dbraw/zinc/56/59/57/563565957.db2.gz WSEOTWCMPKAJSV-PXNSSMCTSA-N 1 1 339.479 3.998 40 0 EHABMO COc1cc(C[NH2+]CCCN(C)C)ccc1OCc1ccccc1C ZINC000016362761 563809812 /nfs/dbraw/zinc/80/98/12/563809812.db2.gz DQZHNXOXHDAJSF-UHFFFAOYSA-N 1 1 342.483 3.624 40 0 EHABMO Cc1ccc(NC(=S)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(C)c1 ZINC000044140381 563926262 /nfs/dbraw/zinc/92/62/62/563926262.db2.gz AUXSVIXWZOWMHG-IYBDPMFKSA-N 1 1 333.545 3.958 40 0 EHABMO CSc1ncc(C[N@@H+](Cc2ccc(F)cc2)C[C@H]2CCCO2)cn1 ZINC000057811136 563935931 /nfs/dbraw/zinc/93/59/31/563935931.db2.gz XYDQLIJPOUXQBO-QGZVFWFLSA-N 1 1 347.459 3.519 40 0 EHABMO CSc1ncc(C[N@H+](Cc2ccc(F)cc2)C[C@H]2CCCO2)cn1 ZINC000057811136 563935933 /nfs/dbraw/zinc/93/59/33/563935933.db2.gz XYDQLIJPOUXQBO-QGZVFWFLSA-N 1 1 347.459 3.519 40 0 EHABMO O=C(CCc1ccccc1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000062089457 563951699 /nfs/dbraw/zinc/95/16/99/563951699.db2.gz AFNRVVJGKNBOAE-UHFFFAOYSA-N 1 1 342.870 3.617 40 0 EHABMO CC(C)C[N@H+]1CC[C@@]12CCCN(C(=O)c1nccc3ccccc31)C2 ZINC000585101928 563971440 /nfs/dbraw/zinc/97/14/40/563971440.db2.gz LSGKVDWWEUMTIE-OAQYLSRUSA-N 1 1 337.467 3.571 40 0 EHABMO CC(C)(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC000585109336 563971685 /nfs/dbraw/zinc/97/16/85/563971685.db2.gz KIAIYSJTLHDETB-SLFFLAALSA-N 1 1 349.478 3.514 40 0 EHABMO OCC[N@@H+](Cc1ccccc1)[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000095935036 563977795 /nfs/dbraw/zinc/97/77/95/563977795.db2.gz VLOIRQINEHZGIT-XZOQPEGZSA-N 1 1 347.458 3.956 40 0 EHABMO Cc1ccc(CN2CCC[C@@]3(CC[N@@H+](Cc4ccc(C)o4)C3)C2)o1 ZINC000096215876 563980389 /nfs/dbraw/zinc/98/03/89/563980389.db2.gz SCYCQSCMSOPXBO-HXUWFJFHSA-N 1 1 328.456 3.978 40 0 EHABMO Cc1ccc(CN2CC[C@]3(C2)CCC[N@H+](Cc2ccc(C)o2)C3)o1 ZINC000096215876 563980390 /nfs/dbraw/zinc/98/03/90/563980390.db2.gz SCYCQSCMSOPXBO-HXUWFJFHSA-N 1 1 328.456 3.978 40 0 EHABMO Cc1ccc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(C)o2)C3)o1 ZINC000096215876 563980391 /nfs/dbraw/zinc/98/03/91/563980391.db2.gz SCYCQSCMSOPXBO-HXUWFJFHSA-N 1 1 328.456 3.978 40 0 EHABMO Cc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(c2ccc(C)nn2)C3)cc1 ZINC000096216986 563980441 /nfs/dbraw/zinc/98/04/41/563980441.db2.gz YMCTYLTUQNNHJP-NRFANRHFSA-N 1 1 336.483 3.586 40 0 EHABMO Cc1nc(-c2ccccc2)nc2c1COC[C@]21CC[N@H+](CC(C)C)C1 ZINC000096244672 563980573 /nfs/dbraw/zinc/98/05/73/563980573.db2.gz HSJRCWURDTYYFZ-OAQYLSRUSA-N 1 1 337.467 3.582 40 0 EHABMO C[NH+](C)[C@H](C(=O)Nc1ccc(Cc2ccncc2)cc1)c1ccccc1 ZINC000195454325 564025875 /nfs/dbraw/zinc/02/58/75/564025875.db2.gz AUSPSIVJJWCMDH-NRFANRHFSA-N 1 1 345.446 3.914 40 0 EHABMO c1[nH]c2ccccc2c1C[N@H+]1CC[C@H](c2nnc(-c3cccnc3)o2)C1 ZINC000049169676 564032635 /nfs/dbraw/zinc/03/26/35/564032635.db2.gz VIWYZRZPGPTPFE-HNNXBMFYSA-N 1 1 345.406 3.602 40 0 biogenic,in-vitro EHABMO O=C(NCCNc1cc[nH+]c2cc(Cl)ccc12)C1CCCCC1 ZINC000222973644 564038598 /nfs/dbraw/zinc/03/85/98/564038598.db2.gz DOIGSUPIDDBIQK-UHFFFAOYSA-N 1 1 331.847 3.997 40 0 EHABMO Cc1nc(Nc2cccc([C@H]3C[N@H+](CC(C)C)CCO3)n2)sc1C ZINC000257278950 564054604 /nfs/dbraw/zinc/05/46/04/564054604.db2.gz OEIRVSXAWUFJPL-MRXNPFEDSA-N 1 1 346.500 3.928 40 0 EHABMO Cc1nc(Nc2cccc([C@H]3C[N@@H+](CC(C)C)CCO3)n2)sc1C ZINC000257278950 564054605 /nfs/dbraw/zinc/05/46/05/564054605.db2.gz OEIRVSXAWUFJPL-MRXNPFEDSA-N 1 1 346.500 3.928 40 0 EHABMO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@H]2C[N@@H+](C3CCC3)C[C@H]21 ZINC000306129941 564062217 /nfs/dbraw/zinc/06/22/17/564062217.db2.gz IRFNKESBWFMDJM-SJLPKXTDSA-N 1 1 345.489 3.523 40 0 EHABMO O=C(c1ccccc1Cl)N1CC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000238941359 564120140 /nfs/dbraw/zinc/12/01/40/564120140.db2.gz WAGLXGSRBYEBGF-KRWDZBQOSA-N 1 1 340.854 3.613 40 0 EHABMO c1ccc(CO[C@H]2CCCC[C@@H]2[N@H+]2CCN[C@@H]3CCCC[C@@H]32)cc1 ZINC000225714622 564150395 /nfs/dbraw/zinc/15/03/95/564150395.db2.gz KHCKVAHSJRUZNI-ANULTFPQSA-N 1 1 328.500 3.731 40 0 EHABMO c1ccc(CO[C@H]2CCCC[C@@H]2N2CC[NH2+][C@@H]3CCCC[C@@H]32)cc1 ZINC000225714622 564150396 /nfs/dbraw/zinc/15/03/96/564150396.db2.gz KHCKVAHSJRUZNI-ANULTFPQSA-N 1 1 328.500 3.731 40 0 EHABMO CCOc1ccc2nccc([C@H](O)[C@@H]3C[C@@H]4CC[N@H+]3C[C@@H]4CC)c2c1 ZINC000004365656 210180753 /nfs/dbraw/zinc/18/07/53/210180753.db2.gz SUWZHLCNFQWNPE-PBFVBANWSA-N 1 1 340.467 3.787 40 0 in-vitro EHABMO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038857472 213228166 /nfs/dbraw/zinc/22/81/66/213228166.db2.gz XSEPINCMZAXIQJ-GFCCVEGCSA-N 1 1 329.271 3.732 40 0 EHABMO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038857472 213228169 /nfs/dbraw/zinc/22/81/69/213228169.db2.gz XSEPINCMZAXIQJ-GFCCVEGCSA-N 1 1 329.271 3.732 40 0 EHABMO COc1ccccc1C[N@H+]1CCC[C@H]1c1cccc(-n2ccnc2)n1 ZINC000072355490 216164296 /nfs/dbraw/zinc/16/42/96/216164296.db2.gz NSQDAIIUAOYYMH-SFHVURJKSA-N 1 1 334.423 3.613 40 0 EHABMO Cc1cccc(OCC[N@H+]2CC[C@@H](c3nc(-c4ccccc4)no3)C2)c1 ZINC000072369848 216177383 /nfs/dbraw/zinc/17/73/83/216177383.db2.gz GFKKZBDNNMBLLK-GOSISDBHSA-N 1 1 349.434 3.913 40 0 EHABMO Fc1cccc(Cc2cnc([C@@H]3CC[N@@H+](Cc4cncs4)C3)o2)c1 ZINC000257236795 244232022 /nfs/dbraw/zinc/23/20/22/244232022.db2.gz HDVBVXGQQCYLIV-CQSZACIVSA-N 1 1 343.427 3.851 40 0 EHABMO CN(C)c1cccc(CC[C@H]2CCCC[N@H+]2Cc2cncs2)n1 ZINC000257241769 244245782 /nfs/dbraw/zinc/24/57/82/244245782.db2.gz HZNIRTSXKUKJIE-MRXNPFEDSA-N 1 1 330.501 3.591 40 0 EHABMO COCCC[N@H+](Cc1c(C)nn(C(C)C)c1C)Cc1ccccn1 ZINC000019577419 212046025 /nfs/dbraw/zinc/04/60/25/212046025.db2.gz OBCBYNUBZDEWKP-UHFFFAOYSA-N 1 1 330.476 3.515 40 0 EHABMO COCCC[N@@H+](Cc1c(C)nn(C(C)C)c1C)Cc1ccccn1 ZINC000019577419 212046028 /nfs/dbraw/zinc/04/60/28/212046028.db2.gz OBCBYNUBZDEWKP-UHFFFAOYSA-N 1 1 330.476 3.515 40 0 EHABMO CC[N@H+]1CCC[C@H]1CN(Cc1cccnc1)Cc1ccccc1F ZINC000019527188 212038394 /nfs/dbraw/zinc/03/83/94/212038394.db2.gz LKVAAVZFHDAWSA-IBGZPJMESA-N 1 1 327.447 3.707 40 0 EHABMO CC(C)CC(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000019446635 212028211 /nfs/dbraw/zinc/02/82/11/212028211.db2.gz WKUPEBRNSDFFTQ-YLJYHZDGSA-N 1 1 331.504 3.653 40 0 EHABMO COc1ccc2c(C[N@@H+]3[C@@H]4CC[C@H]3Cc3nc(C)ncc34)cn(C)c2c1 ZINC000012143991 211304894 /nfs/dbraw/zinc/30/48/94/211304894.db2.gz QAQYKTIZEKBOIM-MGPUTAFESA-N 1 1 348.450 3.547 40 0 EHABMO C[N@H+]1CCC[C@@H](CNC(=S)Nc2ccc(Cl)cc2Cl)C1 ZINC000009876192 211130034 /nfs/dbraw/zinc/13/00/34/211130034.db2.gz GDDCPOIVCGVKDB-JTQLQIEISA-N 1 1 332.300 3.622 40 0 EHABMO CCC[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=S)Nc1ccc(OC)cc1)C2 ZINC000004857093 210303714 /nfs/dbraw/zinc/30/37/14/210303714.db2.gz HPARVONAADRRGI-ALOPSCKCSA-N 1 1 347.528 3.777 40 0 EHABMO Cc1ccc([C@H](c2nnnn2C(C)(C)C)[NH+]2CCC(C)CC2)cc1 ZINC000004847739 210299631 /nfs/dbraw/zinc/29/96/31/210299631.db2.gz CSXVYXLMDSGRFU-QGZVFWFLSA-N 1 1 327.476 3.558 40 0 EHABMO CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000006617328 563574700 /nfs/dbraw/zinc/57/47/00/563574700.db2.gz QJAWMQQAZFJDAY-GPQLQYNLSA-N 1 1 343.511 3.637 40 0 EHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccccc2Cl)cc1 ZINC000030861620 563911191 /nfs/dbraw/zinc/91/11/91/563911191.db2.gz LDMUSENPMSKYNV-UHFFFAOYSA-N 1 1 325.799 3.764 40 0 EHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1 ZINC000030943910 563911861 /nfs/dbraw/zinc/91/18/61/563911861.db2.gz SKHKXXSSQHQFPF-KRWDZBQOSA-N 1 1 347.462 3.991 40 0 EHABMO CCCn1ncc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H]2CCCO2)c1C ZINC000057811112 563935953 /nfs/dbraw/zinc/93/59/53/563935953.db2.gz QBJLKZUNMXELDF-FQEVSTJZSA-N 1 1 345.462 3.922 40 0 EHABMO CCCn1ncc(C[N@H+](Cc2ccc(F)cc2)C[C@@H]2CCCO2)c1C ZINC000057811112 563935954 /nfs/dbraw/zinc/93/59/54/563935954.db2.gz QBJLKZUNMXELDF-FQEVSTJZSA-N 1 1 345.462 3.922 40 0 EHABMO CC[C@H](C)[N@H+]1CCC[C@]2(CCC(=O)N2Cc2ccc(F)cc2)CC1 ZINC000585100072 563971361 /nfs/dbraw/zinc/97/13/61/563971361.db2.gz DYYWATQSCHSRIB-JXFKEZNVSA-N 1 1 332.463 3.971 40 0 EHABMO CC[C@@H](C)C[N@@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)C(C)(C)C)[C@H]2C1 ZINC000585109323 563971661 /nfs/dbraw/zinc/97/16/61/563971661.db2.gz IXQXMAGWGMTXHM-GRGSLBFTSA-N 1 1 328.500 3.965 40 0 EHABMO Cc1ccc(C[N@H+]2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)o1 ZINC000096048740 563978342 /nfs/dbraw/zinc/97/83/42/563978342.db2.gz XNHXNTWOQSQUFA-SFHVURJKSA-N 1 1 330.453 3.669 40 0 EHABMO Cc1cccc(CN2CC[C@]3(CC[N@@H+](Cc4ccsc4)C3)C2=O)c1 ZINC000096050565 563978462 /nfs/dbraw/zinc/97/84/62/563978462.db2.gz BOIIHJOASWIURE-FQEVSTJZSA-N 1 1 340.492 3.681 40 0 EHABMO c1csc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)c1 ZINC000096057059 563978749 /nfs/dbraw/zinc/97/87/49/563978749.db2.gz NAOJBTKWWLSQQV-MJGOQNOKSA-N 1 1 344.480 3.593 40 0 EHABMO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3cccs3)C[C@H]12 ZINC000096058442 563978779 /nfs/dbraw/zinc/97/87/79/563978779.db2.gz MCCIKYFKNXEUPM-PMACEKPBSA-N 1 1 340.492 3.513 40 0 EHABMO COc1ccc(C[C@H]2C[N@H+](Cc3scnc3C)CC[C@H]2OC)cc1 ZINC000096110265 563979275 /nfs/dbraw/zinc/97/92/75/563979275.db2.gz MXHPXODEVMWDTF-FUHWJXTLSA-N 1 1 346.496 3.540 40 0 EHABMO [NH3+][C@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1Cl ZINC000072227525 563985933 /nfs/dbraw/zinc/98/59/33/563985933.db2.gz QQMVFDJSMQPLSV-KGLIPLIRSA-N 1 1 340.732 3.774 40 0 EHABMO [NH3+][C@@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1cccc(Cl)c1 ZINC000072227526 563985956 /nfs/dbraw/zinc/98/59/56/563985956.db2.gz XXNQIEPXRHEHMZ-UONOGXRCSA-N 1 1 340.732 3.774 40 0 EHABMO COc1ccccc1C[N@H+]1CC[C@H](c2nnc(-c3ccccc3)o2)C1 ZINC000049169336 564032543 /nfs/dbraw/zinc/03/25/43/564032543.db2.gz SGPKYPBONKIIEE-KRWDZBQOSA-N 1 1 335.407 3.735 40 0 biogenic,in-vitro EHABMO CCC[C@H](C)NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225580526 564047981 /nfs/dbraw/zinc/04/79/81/564047981.db2.gz VKSNQUGAKQSVAY-ZDUSSCGKSA-N 1 1 340.870 3.996 40 0 EHABMO COCc1csc(-c2cccc([C@H]3CCC[N@H+](C(C)C)C3)n2)n1 ZINC000257334261 564055651 /nfs/dbraw/zinc/05/56/51/564055651.db2.gz YFEPQKWQCZXZAL-AWEZNQCLSA-N 1 1 331.485 3.939 40 0 EHABMO COc1cccc(Cc2cnc([C@@H]3CC[N@@H+](Cc4cccnc4)C3)o2)c1 ZINC000257343010 564055841 /nfs/dbraw/zinc/05/58/41/564055841.db2.gz ZRBHFKNYWXJOEY-GOSISDBHSA-N 1 1 349.434 3.659 40 0 EHABMO Cc1cc2nc([C@H]3CCC[N@H+](C[C@H](C)c4ccccc4)C3)cc(N)n2n1 ZINC000248330048 564124565 /nfs/dbraw/zinc/12/45/65/564124565.db2.gz FFJUBRKZDFQDBJ-YJBOKZPZSA-N 1 1 349.482 3.603 40 0 EHABMO Fc1ccc(-c2cc(CC3([NH2+]Cc4ccccc4)COC3)no2)cc1 ZINC000067897857 215245313 /nfs/dbraw/zinc/24/53/13/215245313.db2.gz KKNJGBZWCYETAF-UHFFFAOYSA-N 1 1 338.382 3.582 40 0 biogenic,in-vitro EHABMO CC(=O)c1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000038858273 213229214 /nfs/dbraw/zinc/22/92/14/213229214.db2.gz PESFOBBSKWJSFO-IBGZPJMESA-N 1 1 336.435 3.740 40 0 EHABMO COc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(-n3ccnc3C)n2)cc1 ZINC000072378696 216181944 /nfs/dbraw/zinc/18/19/44/216181944.db2.gz DRNOBJIIXCCZKN-HXUWFJFHSA-N 1 1 348.450 3.921 40 0 EHABMO Cc1nc(-c2ccnn2C(C)C)cc([C@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000257213828 244158997 /nfs/dbraw/zinc/15/89/97/244158997.db2.gz CJFWNJQIXOAYIS-INIZCTEOSA-N 1 1 327.476 3.817 40 0 EHABMO Cc1nc(Nc2cc([C@H]3CC[N@H+](C(C)C)C3)nc(C)n2)sc1C ZINC000257221195 244184147 /nfs/dbraw/zinc/18/41/47/244184147.db2.gz DNXQLWPVXCXDPC-AWEZNQCLSA-N 1 1 331.489 3.800 40 0 EHABMO C[N@H+]1CC[C@H](c2n[nH]cc2-c2ccnc(NCc3ccccc3)c2)C1 ZINC000257232942 244219685 /nfs/dbraw/zinc/21/96/85/244219685.db2.gz GNBHUYHDZMDQJE-KRWDZBQOSA-N 1 1 333.439 3.503 40 0 EHABMO Cc1cccc(C[N@H+]2CC[C@@]3(C)[C@@H]2CCC(=O)N3Cc2ccccc2)n1 ZINC000257252274 244272469 /nfs/dbraw/zinc/27/24/69/244272469.db2.gz JUEMREGAWUZMTQ-UNMCSNQZSA-N 1 1 349.478 3.546 40 0 EHABMO CC(C)n1nccc1-c1cncc(C[C@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000257259453 244292365 /nfs/dbraw/zinc/29/23/65/244292365.db2.gz KYLNIIBRPXKZDO-MRXNPFEDSA-N 1 1 327.476 3.584 40 0 EHABMO O=C([C@H]1CCC[N@H+](CC2(c3ccc(Cl)cc3)CC2)C1)N1CCCC1 ZINC000012364618 211355952 /nfs/dbraw/zinc/35/59/52/211355952.db2.gz ZIWJOVKUKYCIFZ-INIZCTEOSA-N 1 1 346.902 3.706 40 0 EHABMO C[C@H]1C[N@@H+](C)CC[C@@H]1CCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000012182109 211312381 /nfs/dbraw/zinc/31/23/81/211312381.db2.gz GBOVVLCBJFNDBS-WMZOPIPTSA-N 1 1 337.467 3.854 40 0 EHABMO [NH3+][C@@H]1C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000072227990 262491176 /nfs/dbraw/zinc/49/11/76/262491176.db2.gz DZYIOQCYLRLLKA-UONOGXRCSA-N 1 1 340.732 3.774 40 0 EHABMO Oc1ccc2c3c1O[C@H]1CCC[C@@H]4[C@H](C2)[N@H+](Cc2ccoc2)CC[C@@]314 ZINC000001565939 563392486 /nfs/dbraw/zinc/39/24/86/563392486.db2.gz QJTYWRUTNAJPQP-JQZBISMTSA-N 1 1 337.419 3.615 40 0 EHABMO O=C(NCc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220785 563901718 /nfs/dbraw/zinc/90/17/18/563901718.db2.gz MDPRGUCLBBDVFL-GOSISDBHSA-N 1 1 342.870 3.868 40 0 EHABMO CCn1ncc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H]2CCCO2)c1C ZINC000057811091 563935941 /nfs/dbraw/zinc/93/59/41/563935941.db2.gz QBFFPQSLTUDUKV-IBGZPJMESA-N 1 1 331.435 3.532 40 0 EHABMO CCn1ncc(C[N@H+](Cc2ccc(F)cc2)C[C@@H]2CCCO2)c1C ZINC000057811091 563935942 /nfs/dbraw/zinc/93/59/42/563935942.db2.gz QBFFPQSLTUDUKV-IBGZPJMESA-N 1 1 331.435 3.532 40 0 EHABMO CCCn1ncc(C[N@@H+](Cc2ccc(F)cc2)C[C@H]2CCCO2)c1C ZINC000057811116 563935957 /nfs/dbraw/zinc/93/59/57/563935957.db2.gz QBJLKZUNMXELDF-HXUWFJFHSA-N 1 1 345.462 3.922 40 0 EHABMO CCCn1ncc(C[N@H+](Cc2ccc(F)cc2)C[C@H]2CCCO2)c1C ZINC000057811116 563935958 /nfs/dbraw/zinc/93/59/58/563935958.db2.gz QBJLKZUNMXELDF-HXUWFJFHSA-N 1 1 345.462 3.922 40 0 EHABMO O=C1CC[C@]2(CCC[N@@H+](CC3CCCCC3)CC2)N1C[C@H]1CCCO1 ZINC000585099827 563971400 /nfs/dbraw/zinc/97/14/00/563971400.db2.gz DFLJKYXZXWNBGM-CTNGQTDRSA-N 1 1 348.531 3.593 40 0 EHABMO c1csc(C[N@H+]2CCc3c(COc4cccnc4)cncc3C2)c1 ZINC000096067367 563978999 /nfs/dbraw/zinc/97/89/99/563978999.db2.gz DFQVNWDCPPRISD-UHFFFAOYSA-N 1 1 337.448 3.675 40 0 EHABMO c1csc(C[N@@H+]2CCc3c(COc4cccnc4)cncc3C2)c1 ZINC000096067367 563979000 /nfs/dbraw/zinc/97/90/00/563979000.db2.gz DFQVNWDCPPRISD-UHFFFAOYSA-N 1 1 337.448 3.675 40 0 EHABMO O=C(CC1CCCC1)N1CCC2(CCC[N@H+]2Cc2cccnc2)CC1 ZINC000096075377 563979073 /nfs/dbraw/zinc/97/90/73/563979073.db2.gz WPNHEIAWOLHESB-UHFFFAOYSA-N 1 1 341.499 3.619 40 0 EHABMO Cc1ncsc1C[N@H+]1C[C@H]2CCC[C@@]2(COCc2cccnc2)C1 ZINC000096109258 563979227 /nfs/dbraw/zinc/97/92/27/563979227.db2.gz ILURVYMEWLCUNJ-MJGOQNOKSA-N 1 1 343.496 3.665 40 0 EHABMO O=C1N(CC2CC2)c2ccccc2[C@@]12CC[N@@H+](Cc1ccsc1)C2 ZINC000096100320 563979270 /nfs/dbraw/zinc/97/92/70/563979270.db2.gz WQHPJIHCTQCVBD-FQEVSTJZSA-N 1 1 338.476 3.648 40 0 EHABMO c1ccc(C[C@H]2C[N@@H+](C3CCOCC3)CC[C@H]2OCC2CC2)cc1 ZINC000096110300 563979279 /nfs/dbraw/zinc/97/92/79/563979279.db2.gz HNLFCIXVNKRYSE-PZJWPPBQSA-N 1 1 329.484 3.525 40 0 EHABMO Cc1ccc(C[N@H+]2CCC[C@]3(CCN(Cc4nccs4)C3)C2)o1 ZINC000096215871 563980263 /nfs/dbraw/zinc/98/02/63/563980263.db2.gz RFZRQIIELBVARG-SFHVURJKSA-N 1 1 331.485 3.533 40 0 EHABMO Cc1ccccc1O[C@@H]1CCC[C@H]([N@@H+](C)Cc2ccc(F)cc2)[C@H]1O ZINC000585289547 563982043 /nfs/dbraw/zinc/98/20/43/563982043.db2.gz RJAIXGPQWDASGM-CEWLAPEOSA-N 1 1 343.442 3.927 40 0 EHABMO CCCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000188933750 564025137 /nfs/dbraw/zinc/02/51/37/564025137.db2.gz FSUYUOMOPGETKO-UHFFFAOYSA-N 1 1 326.843 3.607 40 0 EHABMO Clc1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4ccco4)C3)o2)cc1 ZINC000049169419 564032567 /nfs/dbraw/zinc/03/25/67/564032567.db2.gz YNNYANIRAMLTMV-ZDUSSCGKSA-N 1 1 329.787 3.973 40 0 biogenic,in-vitro EHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=S)Nc1cccc(C)c1 ZINC000225448486 564046823 /nfs/dbraw/zinc/04/68/23/564046823.db2.gz VTSOTOFKLZOUKA-UHFFFAOYSA-N 1 1 336.464 3.976 40 0 EHABMO Cc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3cccc(C)c3)no2)cc1 ZINC000015674398 564070493 /nfs/dbraw/zinc/07/04/93/564070493.db2.gz BMISWBYGZPTFSO-MOPGFXCFSA-N 1 1 349.434 3.661 40 0 biogenic,in-vitro EHABMO Cc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(-c3cccc(C)c3)no2)cc1 ZINC000015674398 564070494 /nfs/dbraw/zinc/07/04/94/564070494.db2.gz BMISWBYGZPTFSO-MOPGFXCFSA-N 1 1 349.434 3.661 40 0 biogenic,in-vitro EHABMO O=C(c1ccc(Cl)cc1)N1CC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000238885284 564120137 /nfs/dbraw/zinc/12/01/37/564120137.db2.gz PXHIMDXBEURRME-IBGZPJMESA-N 1 1 340.854 3.613 40 0 EHABMO O=C1OC[C@@H]2CC[N@H+](Cc3ccccc3)Cc3ccc(F)cc3N12 ZINC000225484341 564135220 /nfs/dbraw/zinc/13/52/20/564135220.db2.gz PFFIVELHEWCMQM-KRWDZBQOSA-N 1 1 326.371 3.557 40 0 biogenic,in-vitro EHABMO Cc1cnc([C@H](C)[N@H+]2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)o1 ZINC000331878164 1137924057 /nfs/dbraw/zinc/92/40/57/1137924057.db2.gz UQUGFIKIAXMFML-WDEREUQCSA-N 1 1 328.338 3.666 40 0 EHABMO [NH3+]C[C@H]1CC[C@H]([C@@H](NCc2cccc(F)c2)c2ccccn2)CC1 ZINC000100749978 219105665 /nfs/dbraw/zinc/10/56/65/219105665.db2.gz CNKULNYGOMGBTJ-OXFYSEKESA-N 1 1 327.447 3.817 40 0 EHABMO CNc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(C)cc3)n2)cn1 ZINC000035426181 213027838 /nfs/dbraw/zinc/02/78/38/213027838.db2.gz JMFWJQCDTDKCFD-KRWDZBQOSA-N 1 1 349.438 3.819 40 0 biogenic,in-vitro EHABMO CNc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(C)cc3)n2)cn1 ZINC000035426181 213027841 /nfs/dbraw/zinc/02/78/41/213027841.db2.gz JMFWJQCDTDKCFD-KRWDZBQOSA-N 1 1 349.438 3.819 40 0 biogenic,in-vitro EHABMO COCC[N@H+]1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000072358503 216165862 /nfs/dbraw/zinc/16/58/62/216165862.db2.gz YKTYMKDMWOAXBW-HNNXBMFYSA-N 1 1 331.847 3.623 40 0 EHABMO Cc1cc(C)nc(Nc2cccc([C@H]3CCC[N@H+](C(C)C)C3)n2)n1 ZINC000072375926 216179639 /nfs/dbraw/zinc/17/96/39/216179639.db2.gz AOBZKNIXHNUIGM-INIZCTEOSA-N 1 1 325.460 3.820 40 0 EHABMO Cc1cccc(Nc2cccc([C@H]3CCC[N@H+](Cc4ncc[nH]4)C3)n2)n1 ZINC000072376074 216179788 /nfs/dbraw/zinc/17/97/88/216179788.db2.gz BVZPHVFYSNIVMC-INIZCTEOSA-N 1 1 348.454 3.631 40 0 EHABMO Cc1cccc(Nc2cccc([C@H]3CCC[N@@H+](Cc4ncc[nH]4)C3)n2)n1 ZINC000072376074 216179790 /nfs/dbraw/zinc/17/97/90/216179790.db2.gz BVZPHVFYSNIVMC-INIZCTEOSA-N 1 1 348.454 3.631 40 0 EHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](C)Oc2ccc(C)cc2)cc1 ZINC000216318929 241184352 /nfs/dbraw/zinc/18/43/52/241184352.db2.gz MBKWIIDIEIRUKF-INIZCTEOSA-N 1 1 349.434 3.573 40 0 EHABMO Cc1noc(C)c1-c1ccc([C@@H]2CCC[N@@H+](Cc3cnccn3)C2)nc1 ZINC000257235186 244227353 /nfs/dbraw/zinc/22/73/53/244227353.db2.gz GWVDVLXMFOGABK-QGZVFWFLSA-N 1 1 349.438 3.523 40 0 EHABMO Cc1cncc([C@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccccc3)C2)n1 ZINC000257241339 244243987 /nfs/dbraw/zinc/24/39/87/244243987.db2.gz HXRXVMKGHYTYOF-KRWDZBQOSA-N 1 1 333.439 3.555 40 0 EHABMO Cc1c[nH]c(-c2cc(C[C@@H]3CCC[N@H+](C4CCCCC4)C3)ncn2)n1 ZINC000257241365 244244280 /nfs/dbraw/zinc/24/42/80/244244280.db2.gz HXUNACJHEFBYMJ-INIZCTEOSA-N 1 1 339.487 3.762 40 0 EHABMO CC(C)c1ccc(C[N@@H+]2CCC[C@@H]2c2nnc(-c3cnccn3)o2)cc1 ZINC000019453250 212028126 /nfs/dbraw/zinc/02/81/26/212028126.db2.gz VTCGBUBXHPGAPE-GOSISDBHSA-N 1 1 349.438 3.987 40 0 EHABMO CC(C)c1ccc(C[N@H+]2CCC[C@@H]2c2nnc(-c3cnccn3)o2)cc1 ZINC000019453250 212028128 /nfs/dbraw/zinc/02/81/28/212028128.db2.gz VTCGBUBXHPGAPE-GOSISDBHSA-N 1 1 349.438 3.987 40 0 EHABMO c1ccc2c(c1)CC[N@H+](Cc1c3cccnc3[nH]c1[C@H]1CCCO1)C2 ZINC000019375391 212024730 /nfs/dbraw/zinc/02/47/30/212024730.db2.gz PSCCGCGKSDWTMV-LJQANCHMSA-N 1 1 333.435 3.973 40 0 EHABMO c1ccc(C[N@@H+]2CCC[C@]3(C2)NCCc2c4ccccc4[nH]c23)cc1 ZINC000019372014 212022242 /nfs/dbraw/zinc/02/22/42/212022242.db2.gz LUTQFAMQSNTGNR-JOCHJYFZSA-N 1 1 331.463 3.805 40 0 EHABMO c1ccc(C[N@H+]2CCC[C@]3(C2)NCCc2c4ccccc4[nH]c23)cc1 ZINC000019372014 212022244 /nfs/dbraw/zinc/02/22/44/212022244.db2.gz LUTQFAMQSNTGNR-JOCHJYFZSA-N 1 1 331.463 3.805 40 0 EHABMO CC(C)CC(=O)N1C[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)[C@H]2C1 ZINC000012220122 211322048 /nfs/dbraw/zinc/32/20/48/211322048.db2.gz USLAFBJMVNKJQZ-AEFFLSMTSA-N 1 1 334.891 3.809 40 0 EHABMO Cc1nc(COCc2cnc3n2CC[N@@H+](CC2CCC2)[C@@H]3C)cs1 ZINC000096109870 218604810 /nfs/dbraw/zinc/60/48/10/218604810.db2.gz ZUGZPYQPXAODCX-CYBMUJFWSA-N 1 1 346.500 3.542 40 0 EHABMO Cc1nc(COCc2cnc3n2CC[N@H+](CC2CCC2)[C@@H]3C)cs1 ZINC000096109870 218604812 /nfs/dbraw/zinc/60/48/12/218604812.db2.gz ZUGZPYQPXAODCX-CYBMUJFWSA-N 1 1 346.500 3.542 40 0 EHABMO O=C(c1ccccc1Cl)N1CC[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000238941360 257841887 /nfs/dbraw/zinc/84/18/87/257841887.db2.gz WAGLXGSRBYEBGF-QGZVFWFLSA-N 1 1 340.854 3.613 40 0 EHABMO CN(C)CCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000008373867 563627915 /nfs/dbraw/zinc/62/79/15/563627915.db2.gz LCGMTUMCTLUSJN-UHFFFAOYSA-N 1 1 332.875 3.960 40 0 EHABMO Cc1cccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c1 ZINC000044912331 563928271 /nfs/dbraw/zinc/92/82/71/563928271.db2.gz NMKNOZZMCXGZKE-IBGZPJMESA-N 1 1 340.442 3.663 40 0 EHABMO Cc1ccc(C[NH+]2CC3(C2)C[C@H](OCc2cccc(C)n2)CS3)o1 ZINC000585104333 563971503 /nfs/dbraw/zinc/97/15/03/563971503.db2.gz HEUTUJYTOCLAQB-SFHVURJKSA-N 1 1 344.480 3.568 40 0 EHABMO c1coc(COCc2ncn3c2C[N@H+](Cc2ccsc2)CCC3)c1 ZINC000096059033 563978764 /nfs/dbraw/zinc/97/87/64/563978764.db2.gz MVJZCLTVVXPHRW-UHFFFAOYSA-N 1 1 343.452 3.660 40 0 EHABMO c1coc(COCc2ncn3c2C[N@@H+](Cc2ccsc2)CCC3)c1 ZINC000096059033 563978765 /nfs/dbraw/zinc/97/87/65/563978765.db2.gz MVJZCLTVVXPHRW-UHFFFAOYSA-N 1 1 343.452 3.660 40 0 EHABMO COc1ccc2c(c1)C1(CCN(Cc3cccs3)CC1)[N@H+](C)CC2 ZINC000096100209 563979215 /nfs/dbraw/zinc/97/92/15/563979215.db2.gz ZHAYPRTVFVKJOG-UHFFFAOYSA-N 1 1 342.508 3.736 40 0 EHABMO COc1ccc2c(c1)C1(CC[NH+](Cc3cccs3)CC1)N(C)CC2 ZINC000096100209 563979216 /nfs/dbraw/zinc/97/92/16/563979216.db2.gz ZHAYPRTVFVKJOG-UHFFFAOYSA-N 1 1 342.508 3.736 40 0 EHABMO O=C1N(CC2CC2)c2ccccc2[C@]12CC[N@@H+](Cc1cccs1)C2 ZINC000096100317 563979258 /nfs/dbraw/zinc/97/92/58/563979258.db2.gz FDOWNUZBIYNMOX-HXUWFJFHSA-N 1 1 338.476 3.648 40 0 EHABMO Cc1cccc(CN2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC000096216124 563980309 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CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(OC)c(Cl)c1 ZINC000225607280 564048330 /nfs/dbraw/zinc/04/83/30/564048330.db2.gz KSDZKDVSSJOWFC-HNNXBMFYSA-N 1 1 338.879 3.733 40 0 EHABMO Cc1cc(Nc2ccc(F)cn2)cc([C@H]2CC[N@@H+](CC3CC3)C2)n1 ZINC000257335120 564055642 /nfs/dbraw/zinc/05/56/42/564055642.db2.gz YISZPKXGVDYBIH-HNNXBMFYSA-N 1 1 326.419 3.867 40 0 EHABMO Fc1cccc(C[N@H+]2C[C@@H]3Cn4c(-c5ccccc5)cnc4C[C@@H]3C2)c1 ZINC000306129807 564062162 /nfs/dbraw/zinc/06/21/62/564062162.db2.gz INLOTNQKIDUMJG-RTBURBONSA-N 1 1 347.437 3.994 40 0 EHABMO c1csc(-c2cnc3n2CC[C@@]32CC[N@H+](Cc3nccs3)C2)c1 ZINC000306137997 564062332 /nfs/dbraw/zinc/06/23/32/564062332.db2.gz RLXUFSXEWWXGDF-QGZVFWFLSA-N 1 1 342.493 3.616 40 0 EHABMO COc1ccc([C@@H](c2c(C)[nH]c3ccccc32)[NH+]2CCOCC2)cc1 ZINC000013060296 564085087 /nfs/dbraw/zinc/08/50/87/564085087.db2.gz LJAPRFPOVKLQIQ-NRFANRHFSA-N 1 1 336.435 3.907 40 0 EHABMO CCC[NH+](CCC)CN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O ZINC000033939466 568415168 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40 0 EHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCCOc2ccccc2)cc1 ZINC000020481809 212136532 /nfs/dbraw/zinc/13/65/32/212136532.db2.gz VOILHYLTQJTHGC-UHFFFAOYSA-N 1 1 349.434 3.656 40 0 EHABMO c1cnc(Nc2ccc([C@@H]3CCCC[N@@H+]3Cc3ccncc3)cn2)nc1 ZINC000257231813 244216784 /nfs/dbraw/zinc/21/67/84/244216784.db2.gz GIHJAAVJNYDAQG-SFHVURJKSA-N 1 1 346.438 3.737 40 0 EHABMO CN(C)c1cccc(CC[C@@H]2CCCC[N@H+]2Cc2cncs2)n1 ZINC000257241768 244245987 /nfs/dbraw/zinc/24/59/87/244245987.db2.gz HZNIRTSXKUKJIE-INIZCTEOSA-N 1 1 330.501 3.591 40 0 EHABMO CCc1ccccc1O[C@H](C)C(=O)NCCC[N@@H+]1CCCC[C@@H]1CC ZINC000020104738 212101218 /nfs/dbraw/zinc/10/12/18/212101218.db2.gz NXMZYPWJKOVDCC-MJGOQNOKSA-N 1 1 346.515 3.787 40 0 EHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)Cc1ccc(Cl)cc1 ZINC000020038188 212096270 /nfs/dbraw/zinc/09/62/70/212096270.db2.gz PYDLJRLEFIQNBS-UHFFFAOYSA-N 1 1 339.826 3.693 40 0 EHABMO CCOc1ncccc1-c1noc(C[N@@H+](CC)C2CCCCC2)n1 ZINC000012365440 211357342 /nfs/dbraw/zinc/35/73/42/211357342.db2.gz 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ZINC000016924862 563826041 /nfs/dbraw/zinc/82/60/41/563826041.db2.gz UCNCUQNDNPWJTI-ZRZAMGCNSA-N 1 1 347.458 3.956 40 0 EHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N2c3ccccc3C[C@@H]2C)cc1 ZINC000044913174 563928255 /nfs/dbraw/zinc/92/82/55/563928255.db2.gz DIDSQURGRMTGQV-HNNXBMFYSA-N 1 1 331.419 3.831 40 0 EHABMO COc1ccccc1CN(C)C(=O)c1ccc(Cn2cc[nH+]c2C)cc1 ZINC000044940964 563928538 /nfs/dbraw/zinc/92/85/38/563928538.db2.gz IWPIIOXWQKEVCU-UHFFFAOYSA-N 1 1 349.434 3.521 40 0 EHABMO C=Cn1ncc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H]2CCCO2)c1C ZINC000057811127 563935901 /nfs/dbraw/zinc/93/59/01/563935901.db2.gz IIDSEBSLXAQTRB-IBGZPJMESA-N 1 1 329.419 3.612 40 0 EHABMO C=Cn1ncc(C[N@H+](Cc2ccc(F)cc2)C[C@@H]2CCCO2)c1C ZINC000057811127 563935902 /nfs/dbraw/zinc/93/59/02/563935902.db2.gz IIDSEBSLXAQTRB-IBGZPJMESA-N 1 1 329.419 3.612 40 0 EHABMO Cc1ccc(CN2C(=O)CC[C@@]23CCC[N@H+](CC(C)C)CC3)cc1 ZINC000585100843 563971497 /nfs/dbraw/zinc/97/14/97/563971497.db2.gz YOYBREPCKLVCBP-OAQYLSRUSA-N 1 1 328.500 3.998 40 0 EHABMO c1sc([C@H]2C[C@@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3O2)nc1C1CC1 ZINC000096046097 563977977 /nfs/dbraw/zinc/97/79/77/563977977.db2.gz HOEVHWDPZSTVGI-CGTJXYLNSA-N 1 1 341.480 3.768 40 0 EHABMO c1sc([C@H]2C[C@@H]3CC[N@H+](Cc4ccncc4)C[C@H]3O2)nc1C1CC1 ZINC000096046097 563977978 /nfs/dbraw/zinc/97/79/78/563977978.db2.gz HOEVHWDPZSTVGI-CGTJXYLNSA-N 1 1 341.480 3.768 40 0 EHABMO CN(Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cccs1)CC2 ZINC000096047999 563978316 /nfs/dbraw/zinc/97/83/16/563978316.db2.gz PBDCFWBVNRNREX-INIZCTEOSA-N 1 1 346.496 3.597 40 0 EHABMO c1cc(C[NH+]2CCC3(CC2)CN(Cc2ccccc2)CCO3)cs1 ZINC000096048949 563978361 /nfs/dbraw/zinc/97/83/61/563978361.db2.gz BDIIVTHVBIYAPX-UHFFFAOYSA-N 1 1 342.508 3.615 40 0 EHABMO c1cc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCC3CCCC3)C2)co1 ZINC000096057048 563978724 /nfs/dbraw/zinc/97/87/24/563978724.db2.gz ZPCCGJGMBOWHNR-VQTJNVASSA-N 1 1 333.472 3.858 40 0 EHABMO c1csc(CN2CCOC[C@]3(CC[N@@H+](Cc4cccs4)C3)C2)c1 ZINC000096062391 563978990 /nfs/dbraw/zinc/97/89/90/563978990.db2.gz FSLGEILHWVDBLD-SFHVURJKSA-N 1 1 348.537 3.534 40 0 EHABMO Cc1cccc(O[C@@H]2CCC[C@H]([N@H+]3CCc4ccccc4C3)[C@H]2O)c1 ZINC000585289522 563982030 /nfs/dbraw/zinc/98/20/30/563982030.db2.gz QZGMBLRFMNLOJZ-BHDDXSALSA-N 1 1 337.463 3.714 40 0 EHABMO Cc1cccc(O[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccc3)[C@H]2O)c1 ZINC000585288514 563982050 /nfs/dbraw/zinc/98/20/50/563982050.db2.gz CRPVUBNTUGYBCY-PWRODBHTSA-N 1 1 325.452 3.788 40 0 EHABMO COc1ccccc1C[N@@H+](CCCn1ccnc1)Cc1ccc(C)o1 ZINC000013991236 563982391 /nfs/dbraw/zinc/98/23/91/563982391.db2.gz WGEZRAIMVJRNKE-UHFFFAOYSA-N 1 1 339.439 3.886 40 0 EHABMO CC(C)C(=O)N1C[C@@H]2C[N@@H+](CC(c3ccccc3)c3ccccc3)[C@H]2C1 ZINC000107249325 563984029 /nfs/dbraw/zinc/98/40/29/563984029.db2.gz ZMBLHFXFTKSPET-UNMCSNQZSA-N 1 1 348.490 3.617 40 0 EHABMO CCc1ccc(N2C(=O)[C@@H]([NH3+])[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000072228047 563986059 /nfs/dbraw/zinc/98/60/59/563986059.db2.gz CVWPKKNTIVVOON-HOTGVXAUSA-N 1 1 334.341 3.683 40 0 EHABMO O=c1c(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)coc2ccccc21 ZINC000013993307 564020838 /nfs/dbraw/zinc/02/08/38/564020838.db2.gz QEGGEPVPSWMLBZ-IBGZPJMESA-N 1 1 349.430 3.974 40 0 EHABMO O=c1c(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)coc2ccccc21 ZINC000013993307 564020839 /nfs/dbraw/zinc/02/08/39/564020839.db2.gz QEGGEPVPSWMLBZ-IBGZPJMESA-N 1 1 349.430 3.974 40 0 EHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=S)Nc1cccc(OC)c1 ZINC000225580845 564047995 /nfs/dbraw/zinc/04/79/95/564047995.db2.gz CETYISPNECPYQM-INIZCTEOSA-N 1 1 335.517 3.636 40 0 EHABMO NC(=O)c1sc2ncccc2c1[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000257299878 564055091 /nfs/dbraw/zinc/05/50/91/564055091.db2.gz RSARXWPMBPRWLO-LBPRGKRZSA-N 1 1 329.469 3.517 40 0 EHABMO c1ccc(C[N@H+]2CCCC[C@H]2c2ccnc(Nc3cncnc3)n2)cc1 ZINC000257305524 564055171 /nfs/dbraw/zinc/05/51/71/564055171.db2.gz SQKQPHVAHHEXTM-IBGZPJMESA-N 1 1 346.438 3.737 40 0 EHABMO Cc1ncsc1C[N@@H+]1CCC[C@@H]1c1cccc(-c2cncn2C)n1 ZINC000257334817 564055674 /nfs/dbraw/zinc/05/56/74/564055674.db2.gz YHMIXYQJKYHLSW-MRXNPFEDSA-N 1 1 339.468 3.584 40 0 EHABMO c1cc(C[N@@H+]2C[C@@H]3Cc4ncc(-c5ccccc5)n4C[C@H]3C2)cs1 ZINC000306138286 564062354 /nfs/dbraw/zinc/06/23/54/564062354.db2.gz RUEIFCZMGVIEFB-ZWKOTPCHSA-N 1 1 335.476 3.916 40 0 EHABMO CC[C@@H](C)Nc1cc(N2CCc3cc(OC)ccc3C2)[nH+]c(C)n1 ZINC000328964109 564070988 /nfs/dbraw/zinc/07/09/88/564070988.db2.gz BTCNUEGJIFRFBQ-CYBMUJFWSA-N 1 1 326.444 3.567 40 0 EHABMO Cc1cc(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc(C)c1Cl ZINC000006500863 564112436 /nfs/dbraw/zinc/11/24/36/564112436.db2.gz JBTIUGTZKQNVSH-SFHVURJKSA-N 1 1 345.870 3.755 40 0 EHABMO C[N@H+]1CC[C@H]2[C@H](C1)c1ccccc1N2C(=O)c1cc2ccccc2o1 ZINC000252444382 1128959990 /nfs/dbraw/zinc/95/99/90/1128959990.db2.gz OKNPEAZTEBJDNZ-AEFFLSMTSA-N 1 1 332.403 3.881 40 0 EHABMO O=C(OCc1ccc(F)cc1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000072202919 216069122 /nfs/dbraw/zinc/06/91/22/216069122.db2.gz WJKNNTIIIZOBGQ-QGZVFWFLSA-N 1 1 345.389 3.920 40 0 EHABMO Cc1cccc(Nc2cccc([C@@H]3CCC[N@H+](Cc4ncc[nH]4)C3)n2)n1 ZINC000072376073 216179063 /nfs/dbraw/zinc/17/90/63/216179063.db2.gz BVZPHVFYSNIVMC-MRXNPFEDSA-N 1 1 348.454 3.631 40 0 EHABMO Cc1cccc(Nc2cccc([C@@H]3CCC[N@@H+](Cc4ncc[nH]4)C3)n2)n1 ZINC000072376073 216179066 /nfs/dbraw/zinc/17/90/66/216179066.db2.gz BVZPHVFYSNIVMC-MRXNPFEDSA-N 1 1 348.454 3.631 40 0 EHABMO CCc1nccn1-c1cccc([C@@H]2CCC[N@H+]2Cc2ccccn2)n1 ZINC000072379049 216180573 /nfs/dbraw/zinc/18/05/73/216180573.db2.gz LUEXEJXCAKTYOJ-SFHVURJKSA-N 1 1 333.439 3.562 40 0 EHABMO CCc1nccn1-c1cccc([C@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000072379062 216181963 /nfs/dbraw/zinc/18/19/63/216181963.db2.gz YYIVOVXIFDUAJS-GOSISDBHSA-N 1 1 333.439 3.562 40 0 EHABMO Cc1cccc2[nH]c(C(=O)N3CCC[C@@H]4[N@@H+](C)CCC[C@@]43C)cc21 ZINC000257221090 244186043 /nfs/dbraw/zinc/18/60/43/244186043.db2.gz DNKPNMNCWXKHBW-ICSRJNTNSA-N 1 1 325.456 3.565 40 0 EHABMO CC(=O)N1[C@H](c2ccccc2)C[C@@H]2[C@@H]1CCCC[N@H+]2Cc1cccnc1 ZINC000257239921 244239169 /nfs/dbraw/zinc/23/91/69/244239169.db2.gz HRJLFTSAGQWOSL-FDFHNCONSA-N 1 1 349.478 3.798 40 0 EHABMO Cc1nccc([C@H]2CCC[N@@H+](Cc3c[nH]nc3-c3cccs3)C2)n1 ZINC000257267221 244364331 /nfs/dbraw/zinc/36/43/31/244364331.db2.gz MGLCVMFBXGWVGC-AWEZNQCLSA-N 1 1 339.468 3.616 40 0 EHABMO C[N@H+]1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)C1CCC1 ZINC000019589124 212048932 /nfs/dbraw/zinc/04/89/32/212048932.db2.gz XPYDCNWGHRGBCJ-VAMGGRTRSA-N 1 1 326.484 3.656 40 0 EHABMO CCOc1ccc(C[N@@H+](C)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1 ZINC000019533169 212039332 /nfs/dbraw/zinc/03/93/32/212039332.db2.gz ROQQVDAQRUJYPO-VQTJNVASSA-N 1 1 329.415 3.839 40 0 EHABMO C[C@@H]1C[C@H](C)C[N@H+](Cc2c3ncccc3[nH]c2C2CCOCC2)C1 ZINC000019462598 212031364 /nfs/dbraw/zinc/03/13/64/212031364.db2.gz DCLFVORTPWNOBH-GASCZTMLSA-N 1 1 327.472 3.935 40 0 EHABMO Cc1cc(OC[C@H](O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc(C)c1Cl ZINC000012169950 211310537 /nfs/dbraw/zinc/31/05/37/211310537.db2.gz LTOMHKXZZHIXOP-DVOMOZLQSA-N 1 1 325.880 3.674 40 0 EHABMO CC(C)c1ncc(C[N@H+]2CCC[C@@](O)(c3ccc(F)cc3)CC2)cn1 ZINC000012220548 211322684 /nfs/dbraw/zinc/32/26/84/211322684.db2.gz WUQQHNYHEMRQBR-FQEVSTJZSA-N 1 1 343.446 3.613 40 0 EHABMO CN(Cc1ccccc1F)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000225900876 536482471 /nfs/dbraw/zinc/48/24/71/536482471.db2.gz UYUQARMWOOHKCZ-IBGZPJMESA-N 1 1 340.442 3.696 40 0 EHABMO Cc1ccsc1C[N@@H+](CCCN1CCOCC1)Cc1ccccc1 ZINC000019238584 563855523 /nfs/dbraw/zinc/85/55/23/563855523.db2.gz FTMPDPNYWMEJIE-UHFFFAOYSA-N 1 1 344.524 3.781 40 0 EHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCc2ccc(C)cc2)cc1 ZINC000030872428 563911554 /nfs/dbraw/zinc/91/15/54/563911554.db2.gz VMUGPFRIYYTWOR-UHFFFAOYSA-N 1 1 333.435 3.738 40 0 EHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCCCc2cccc(C)c2)cc1 ZINC000044909783 563928296 /nfs/dbraw/zinc/92/82/96/563928296.db2.gz IVELXJHRBMIVCU-UHFFFAOYSA-N 1 1 347.462 3.911 40 0 EHABMO Cc1ccsc1C[N@@H+](CC1=Cc2ccccc2OC1)C[C@H](C)O ZINC000057810257 563935886 /nfs/dbraw/zinc/93/58/86/563935886.db2.gz IFEKMLXIAIBTJG-HNNXBMFYSA-N 1 1 329.465 3.715 40 0 EHABMO CN(Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cccs1)CC2 ZINC000096047998 563978354 /nfs/dbraw/zinc/97/83/54/563978354.db2.gz PBDCFWBVNRNREX-MRXNPFEDSA-N 1 1 346.496 3.597 40 0 EHABMO c1csc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)c1 ZINC000096057060 563978837 /nfs/dbraw/zinc/97/88/37/563978837.db2.gz NAOJBTKWWLSQQV-IEBWSBKVSA-N 1 1 344.480 3.593 40 0 EHABMO Cc1cccc(C[N@H+]2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)n1 ZINC000096111034 563979307 /nfs/dbraw/zinc/97/93/07/563979307.db2.gz QZJIZPYIBLRTLI-CTNGQTDRSA-N 1 1 337.467 3.604 40 0 EHABMO Cc1nc(-c2ccccc2)nc2c1COC[C@@]21CC[N@H+](CC(C)C)C1 ZINC000096244673 563980587 /nfs/dbraw/zinc/98/05/87/563980587.db2.gz HSJRCWURDTYYFZ-NRFANRHFSA-N 1 1 337.467 3.582 40 0 EHABMO C[N@@H+](Cc1ccc(F)cc1)[C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000585288800 563981925 /nfs/dbraw/zinc/98/19/25/563981925.db2.gz JKOMYTUEBLAZAR-XUVXKRRUSA-N 1 1 347.405 3.758 40 0 EHABMO O=C(NC1CC(F)(F)C1)[C@@H]1CCC[C@]12CC[N@@H+](CC1CCCC1)C2 ZINC000108527117 563984297 /nfs/dbraw/zinc/98/42/97/563984297.db2.gz GYKSRAGTFGLAPU-FUHWJXTLSA-N 1 1 340.458 3.583 40 0 EHABMO Cc1cc(N)[nH+]cc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072218530 563985693 /nfs/dbraw/zinc/98/56/93/563985693.db2.gz KMWIUIGCASGWRA-KRWDZBQOSA-N 1 1 325.412 3.836 40 0 EHABMO CCc1ccc(N2C(=O)[C@@H]([NH3+])[C@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000072228046 563986073 /nfs/dbraw/zinc/98/60/73/563986073.db2.gz CVWPKKNTIVVOON-JKSUJKDBSA-N 1 1 334.341 3.683 40 0 EHABMO O=C(c1ccccc1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000138792763 564024053 /nfs/dbraw/zinc/02/40/53/564024053.db2.gz ONAFYSXUZBYFOI-JSXRDJHFSA-N 1 1 336.479 3.722 40 0 EHABMO O[C@@H](CC[NH+]1CCOCC1)c1ccc(Sc2ccccc2)cc1 ZINC000031924634 564024328 /nfs/dbraw/zinc/02/43/28/564024328.db2.gz AZTRQXRPMSNRGO-IBGZPJMESA-N 1 1 329.465 3.594 40 0 EHABMO CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000188985935 564025180 /nfs/dbraw/zinc/02/51/80/564025180.db2.gz BTSRQCIXOFOJPI-CYBMUJFWSA-N 1 1 340.870 3.852 40 0 EHABMO CC(=O)Nc1ccc(C[N@@H+]2CC[C@H](c3nc4ccccc4n3C)C2)cc1 ZINC000049171210 564032678 /nfs/dbraw/zinc/03/26/78/564032678.db2.gz XJDFPKZLLFEWLX-KRWDZBQOSA-N 1 1 348.450 3.521 40 0 biogenic,in-vitro EHABMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(Cl)cc1Cl ZINC000005630925 564032873 /nfs/dbraw/zinc/03/28/73/564032873.db2.gz GPXNHBGCMKQUQP-LRDDRELGSA-N 1 1 341.282 3.988 40 0 EHABMO CC(=O)N1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)[N@H+]2Cc1cccnc1 ZINC000257299245 564055021 /nfs/dbraw/zinc/05/50/21/564055021.db2.gz RPGSDKHSRXNFME-FDFHNCONSA-N 1 1 349.478 3.798 40 0 EHABMO Cc1nc(-c2ncc[nH]2)cc([C@H]2CCC[N@H+]2Cc2ccsc2)n1 ZINC000257298708 564055039 /nfs/dbraw/zinc/05/50/39/564055039.db2.gz RMYTYYNKQYSGKM-MRXNPFEDSA-N 1 1 325.441 3.574 40 0 EHABMO CNc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccccc3)n2)cn1 ZINC000035426088 213027177 /nfs/dbraw/zinc/02/71/77/213027177.db2.gz BETRSLRWGAPHBN-INIZCTEOSA-N 1 1 335.411 3.510 40 0 biogenic,in-vitro EHABMO CNc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccccc3)n2)cn1 ZINC000035426088 213027180 /nfs/dbraw/zinc/02/71/80/213027180.db2.gz BETRSLRWGAPHBN-INIZCTEOSA-N 1 1 335.411 3.510 40 0 biogenic,in-vitro EHABMO Cc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000035290363 213018155 /nfs/dbraw/zinc/01/81/55/213018155.db2.gz HGMTUYOZXFBEMP-ZNXRZULTSA-N 1 1 329.513 3.829 40 0 EHABMO Fc1ccc(-c2nccnc2[C@H]2CCC[N@H+](C3CCOCC3)C2)cc1 ZINC000072359068 216165639 /nfs/dbraw/zinc/16/56/39/216165639.db2.gz VNZSWVXACYKPOQ-INIZCTEOSA-N 1 1 341.430 3.641 40 0 EHABMO CNC(=O)CCc1cc(C)nc([C@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000072360430 216167134 /nfs/dbraw/zinc/16/71/34/216167134.db2.gz SEYXROIXSZDNRW-LJQANCHMSA-N 1 1 329.488 3.538 40 0 EHABMO Cc1nccn1-c1cncc([C@@H]2CCC[N@H+]2CCCc2ccccc2)n1 ZINC000072378676 216181866 /nfs/dbraw/zinc/18/18/66/216181866.db2.gz AAHQNUFKVVZHHW-FQEVSTJZSA-N 1 1 347.466 3.740 40 0 EHABMO CN1CC[NH+](Cc2ccc3oc(-c4ccccc4Cl)nc3c2)CC1 ZINC000216799493 241212548 /nfs/dbraw/zinc/21/25/48/241212548.db2.gz QFMBRAZMYFQMMW-UHFFFAOYSA-N 1 1 341.842 3.896 40 0 EHABMO COc1ccccc1/C=C/C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000020492052 212139121 /nfs/dbraw/zinc/13/91/21/212139121.db2.gz MAKLSUUAZVESKW-VAWYXSNFSA-N 1 1 347.418 3.519 40 0 EHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(Cl)cc1 ZINC000020484642 212137833 /nfs/dbraw/zinc/13/78/33/212137833.db2.gz NHYAFUFVMPLKLC-UHFFFAOYSA-N 1 1 325.799 3.764 40 0 EHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](C)Oc2cccc(C)c2)cc1 ZINC000020460277 212133572 /nfs/dbraw/zinc/13/35/72/212133572.db2.gz CRTYMOHWOAKMDU-INIZCTEOSA-N 1 1 349.434 3.573 40 0 EHABMO CSc1ccccc1C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000020455282 212132392 /nfs/dbraw/zinc/13/23/92/212132392.db2.gz YEFBKEXNUAPLQP-UHFFFAOYSA-N 1 1 337.448 3.833 40 0 EHABMO Cc1cccc(C[N@H+]2CCOC[C@@H](Cc3ccc4ncccc4c3)C2)n1 ZINC000257219809 244182290 /nfs/dbraw/zinc/18/22/90/244182290.db2.gz DIGITLOTTSMHNS-IBGZPJMESA-N 1 1 347.462 3.629 40 0 EHABMO Cc1nc(-c2ncc[nH]2)cc([C@H]2CCC[N@H+](C3CCCCC3)C2)n1 ZINC000257243303 244250421 /nfs/dbraw/zinc/25/04/21/244250421.db2.gz IGHOZLTVQJJVNT-HNNXBMFYSA-N 1 1 325.460 3.687 40 0 EHABMO CCOc1ccc(C[N@H+]2CCC[C@H]2CCc2ccncc2)cc1CO ZINC000257241814 244244417 /nfs/dbraw/zinc/24/44/17/244244417.db2.gz HZSNBDRMFUDUQA-FQEVSTJZSA-N 1 1 340.467 3.570 40 0 EHABMO CC[N@@H+](C)[C@H]1CN(C(=O)CCc2ccccc2)C2(C1)CCCCC2 ZINC000257264876 244358612 /nfs/dbraw/zinc/35/86/12/244358612.db2.gz LWILLEPVGBKBPW-LJQANCHMSA-N 1 1 328.500 3.875 40 0 EHABMO CCn1nc(C)c(C[N@H+]2CCC[C@H](c3cc4cccnc4[nH]3)C2)c1C ZINC000019523829 212037623 /nfs/dbraw/zinc/03/76/23/212037623.db2.gz KPHAJNHLYCUKJS-KRWDZBQOSA-N 1 1 337.471 3.776 40 0 EHABMO Cc1[nH+]ccn1C[C@H](O)Cn1c2c(c3cccc(Cl)c31)CCCC2 ZINC000012421955 211376786 /nfs/dbraw/zinc/37/67/86/211376786.db2.gz XRTJWNMAYDVIEE-AWEZNQCLSA-N 1 1 343.858 3.740 40 0 EHABMO FC(F)c1cc([C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2c2ccccc2)[nH]n1 ZINC000012129158 211300288 /nfs/dbraw/zinc/30/02/88/211300288.db2.gz WAMANDOOFHKRSW-VNQPRFMTSA-N 1 1 347.409 3.567 40 0 EHABMO Cc1ccsc1C[N@H+]1CCC[C@H](n2c(=O)oc3ccccc32)C1 ZINC000012119177 211297089 /nfs/dbraw/zinc/29/70/89/211297089.db2.gz DJFIOMPWARTBOP-AWEZNQCLSA-N 1 1 328.437 3.802 40 0 EHABMO CC1(C)[C@H]2CC[C@]1(C)[C@H](OC[C@H](O)C[N@H+]1CCc3ccccc3C1)C2 ZINC000009970721 211138141 /nfs/dbraw/zinc/13/81/41/211138141.db2.gz HFYVOEARROQXFB-GPQLQYNLSA-N 1 1 343.511 3.637 40 0 EHABMO CC[NH+]1CCN(C(=S)c2ccccc2OCc2ccccc2)CC1 ZINC000408572731 257896061 /nfs/dbraw/zinc/89/60/61/257896061.db2.gz HYLPRAKWTZTKCY-UHFFFAOYSA-N 1 1 340.492 3.579 40 0 EHABMO CC(=O)N[C@H](c1nccs1)[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000019020947 563853218 /nfs/dbraw/zinc/85/32/18/563853218.db2.gz JKYKYUTUCJTLSC-IRXDYDNUSA-N 1 1 335.517 3.613 40 0 EHABMO C[C@@H]1CCC[N@@H+](CCCNC(=S)Nc2cccc(Cl)c2)C1 ZINC000044080856 563926130 /nfs/dbraw/zinc/92/61/30/563926130.db2.gz ZABKVAUWRWODAL-CYBMUJFWSA-N 1 1 325.909 3.748 40 0 EHABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3ccc(F)cc3)cc2)C1 ZINC000044932114 563928340 /nfs/dbraw/zinc/92/83/40/563928340.db2.gz DAAJWWJAWBMEKC-MRXNPFEDSA-N 1 1 340.442 3.988 40 0 EHABMO Cc1ncc2cncc(C3CC[NH+](Cc4c[nH]c5ccccc45)CC3)n21 ZINC000585182386 563975110 /nfs/dbraw/zinc/97/51/10/563975110.db2.gz FFDNKDNKQQUBLT-UHFFFAOYSA-N 1 1 345.450 3.899 40 0 EHABMO c1cc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccccn2)C3)cs1 ZINC000096046946 563978076 /nfs/dbraw/zinc/97/80/76/563978076.db2.gz DLEDZNHLVRZYAZ-LJQANCHMSA-N 1 1 327.497 3.631 40 0 EHABMO c1cc(CN2CC[C@]3(C2)CCC[N@H+](Cc2ccccn2)C3)cs1 ZINC000096046946 563978077 /nfs/dbraw/zinc/97/80/77/563978077.db2.gz DLEDZNHLVRZYAZ-LJQANCHMSA-N 1 1 327.497 3.631 40 0 EHABMO c1cc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccn2)C3)cs1 ZINC000096046946 563978078 /nfs/dbraw/zinc/97/80/78/563978078.db2.gz DLEDZNHLVRZYAZ-LJQANCHMSA-N 1 1 327.497 3.631 40 0 EHABMO Cc1ccc(C[N@H+]2CC[C@@]3(CC(=O)N(c4cccc(F)c4)C3)C2)s1 ZINC000096050722 563978535 /nfs/dbraw/zinc/97/85/35/563978535.db2.gz VSUPQPCWFZIBMZ-LJQANCHMSA-N 1 1 344.455 3.825 40 0 EHABMO CC(C)CN1c2ccccc2[C@@]2(CC[N@@H+](Cc3cccs3)C2)C1=O ZINC000096100295 563979158 /nfs/dbraw/zinc/97/91/58/563979158.db2.gz UCGNYNHORXRBME-FQEVSTJZSA-N 1 1 340.492 3.894 40 0 EHABMO Cc1ncsc1C[N@H+]1C[C@H]2CCC[C@@]2(COCc2ccccn2)C1 ZINC000096111051 563979350 /nfs/dbraw/zinc/97/93/50/563979350.db2.gz BBCDVQIFEHINME-APWZRJJASA-N 1 1 343.496 3.665 40 0 EHABMO Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(Cc2nccs2)C3)o1 ZINC000096215721 563980203 /nfs/dbraw/zinc/98/02/03/563980203.db2.gz BGGZDTMDHVZJEW-SFHVURJKSA-N 1 1 331.485 3.533 40 0 EHABMO O=C(c1ccccc1)N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC000096239484 563980473 /nfs/dbraw/zinc/98/04/73/563980473.db2.gz CBPXQZJJQSJXEX-NRFANRHFSA-N 1 1 338.426 3.706 40 0 EHABMO O=C(c1ccccc1)N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC000096239484 563980474 /nfs/dbraw/zinc/98/04/74/563980474.db2.gz CBPXQZJJQSJXEX-NRFANRHFSA-N 1 1 338.426 3.706 40 0 EHABMO Cc1nc(C[N@@H+]2CCc3ncnc(-c4ccccc4)c3CC2)cs1 ZINC000096255358 563980618 /nfs/dbraw/zinc/98/06/18/563980618.db2.gz BKYWYKIIFHDKFB-UHFFFAOYSA-N 1 1 336.464 3.509 40 0 EHABMO Cc1nc(C[N@H+]2CCc3ncnc(-c4ccccc4)c3CC2)cs1 ZINC000096255358 563980619 /nfs/dbraw/zinc/98/06/19/563980619.db2.gz BKYWYKIIFHDKFB-UHFFFAOYSA-N 1 1 336.464 3.509 40 0 EHABMO CC(C)C(=O)N1C[C@H]2[C@H](C[N@H+]2CC(c2ccccc2)c2ccccc2)C1 ZINC000107249320 563984025 /nfs/dbraw/zinc/98/40/25/563984025.db2.gz ZMBLHFXFTKSPET-IRLDBZIGSA-N 1 1 348.490 3.617 40 0 EHABMO Cc1ccc(CN2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)s1 ZINC000107746902 563984147 /nfs/dbraw/zinc/98/41/47/563984147.db2.gz MYTKXKSDQRWZNI-AEFFLSMTSA-N 1 1 346.471 3.533 40 0 EHABMO Cc1ccc(C[N@@H+]2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)s1 ZINC000107746902 563984148 /nfs/dbraw/zinc/98/41/48/563984148.db2.gz MYTKXKSDQRWZNI-AEFFLSMTSA-N 1 1 346.471 3.533 40 0 EHABMO Cc1ccc(C[N@H+]2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)s1 ZINC000107746902 563984149 /nfs/dbraw/zinc/98/41/49/563984149.db2.gz MYTKXKSDQRWZNI-AEFFLSMTSA-N 1 1 346.471 3.533 40 0 EHABMO CCc1ccc([C@@H]2[C@@H]([NH3+])C(=O)N2c2ccc(Cl)c(Cl)c2)cc1 ZINC000072227820 563985985 /nfs/dbraw/zinc/98/59/85/563985985.db2.gz PYTVKHOJNPMDIL-HZPDHXFCSA-N 1 1 335.234 3.971 40 0 EHABMO [NH3+][C@@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1F ZINC000072227815 563986030 /nfs/dbraw/zinc/98/60/30/563986030.db2.gz QGDUEHXXYMQXNL-KBPBESRZSA-N 1 1 325.170 3.548 40 0 EHABMO [NH3+][C@H]1C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000072228248 563986099 /nfs/dbraw/zinc/98/60/99/563986099.db2.gz LIACJFRWLOHWLC-HUUCEWRRSA-N 1 1 339.197 3.543 40 0 EHABMO O=C(C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)N1CCCCC1 ZINC000188952153 564025178 /nfs/dbraw/zinc/02/51/78/564025178.db2.gz BRYKZHXMMTTYQF-UHFFFAOYSA-N 1 1 338.854 3.704 40 0 EHABMO Cc1ccsc1C[N@H+]1CCC[C@H]1c1nc(C)cc(-c2ncc[nH]2)n1 ZINC000257285189 564054726 /nfs/dbraw/zinc/05/47/26/564054726.db2.gz PGACOXLTAONUNL-HNNXBMFYSA-N 1 1 339.468 3.882 40 0 EHABMO Cc1cccc(CNc2cc(-c3c[nH]nc3[C@H]3CC[N@H+](C)C3)ccn2)c1 ZINC000257298219 564055058 /nfs/dbraw/zinc/05/50/58/564055058.db2.gz RKRHBTHEBAIVNL-SFHVURJKSA-N 1 1 347.466 3.811 40 0 EHABMO C[N@H+]1CCC[C@@]2(C)[C@@H]1CCCCN2C(=O)c1ccc2ccccc2n1 ZINC000257304651 564055154 /nfs/dbraw/zinc/05/51/54/564055154.db2.gz SMNVMHRDGXOAQA-FPOVZHCZSA-N 1 1 337.467 3.714 40 0 EHABMO CC(C)(C)c1[nH]c2ncccc2c1C[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000248197133 564124551 /nfs/dbraw/zinc/12/45/51/564124551.db2.gz QVXKEBHZHCZKIR-NXHRZFHOSA-N 1 1 341.499 3.986 40 0 EHABMO C/C(=C\c1ccccc1)C[N@H+]1CC[C@]2(C)[C@H]1CCCCC(=O)N2C ZINC000019713721 564128117 /nfs/dbraw/zinc/12/81/17/564128117.db2.gz MKTUUZPYYPPTSN-FTJPNVMPSA-N 1 1 326.484 3.955 40 0 EHABMO c1ccc(CO[C@@H]2CCCC[C@H]2[N@H+]2CCN[C@@H]3CCCC[C@@H]32)cc1 ZINC000225714649 564150387 /nfs/dbraw/zinc/15/03/87/564150387.db2.gz KHCKVAHSJRUZNI-PLACYPQZSA-N 1 1 328.500 3.731 40 0 EHABMO c1ccc(CO[C@@H]2CCCC[C@H]2N2CC[NH2+][C@@H]3CCCC[C@@H]32)cc1 ZINC000225714649 564150388 /nfs/dbraw/zinc/15/03/88/564150388.db2.gz KHCKVAHSJRUZNI-PLACYPQZSA-N 1 1 328.500 3.731 40 0 EHABMO O=C(CN1c2ccccc2N2CCC[NH+]=C12)C12CC3CC(CC(C3)C1)C2 ZINC000100546204 219101366 /nfs/dbraw/zinc/10/13/66/219101366.db2.gz YGQSBYBQFOQVED-UHFFFAOYSA-N 1 1 349.478 3.858 40 0 EHABMO CC(=O)c1cccc(NC(=O)c2ccc(Cn3cc[nH+]c3C)cc2)c1 ZINC000038858409 213229435 /nfs/dbraw/zinc/22/94/35/213229435.db2.gz RPCREKJPFISDLB-UHFFFAOYSA-N 1 1 333.391 3.695 40 0 EHABMO O=C(NCCC1=CCCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038852377 213228490 /nfs/dbraw/zinc/22/84/90/213228490.db2.gz DXXCBRPEZACFEF-FQEVSTJZSA-N 1 1 326.484 3.905 40 0 EHABMO O=C(Nc1ccc(F)cc1F)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038853580 213227918 /nfs/dbraw/zinc/22/79/18/213227918.db2.gz MNMDSFHBKYRPJC-AWEZNQCLSA-N 1 1 348.368 3.955 40 0 EHABMO CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038832194 213226740 /nfs/dbraw/zinc/22/67/40/213226740.db2.gz XBTLISYDHXGXSU-LBPRGKRZSA-N 1 1 329.271 3.730 40 0 EHABMO CC(C)NC(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038832194 213226744 /nfs/dbraw/zinc/22/67/44/213226744.db2.gz XBTLISYDHXGXSU-LBPRGKRZSA-N 1 1 329.271 3.730 40 0 EHABMO COc1ccc2[nH]c([C@H]3CC[N@@H+](Cc4ccccc4F)C3)nc2c1 ZINC000035446757 213028488 /nfs/dbraw/zinc/02/84/88/213028488.db2.gz DLRXSBDSHBIJFK-AWEZNQCLSA-N 1 1 325.387 3.700 40 0 biogenic,in-vitro EHABMO COc1ccc2nc([C@H]3CC[N@H+](Cc4ccccc4F)C3)[nH]c2c1 ZINC000035446757 213028492 /nfs/dbraw/zinc/02/84/92/213028492.db2.gz DLRXSBDSHBIJFK-AWEZNQCLSA-N 1 1 325.387 3.700 40 0 biogenic,in-vitro EHABMO COc1ccc2nc([C@H]3CC[N@@H+](Cc4ccccc4F)C3)[nH]c2c1 ZINC000035446757 213028494 /nfs/dbraw/zinc/02/84/94/213028494.db2.gz DLRXSBDSHBIJFK-AWEZNQCLSA-N 1 1 325.387 3.700 40 0 biogenic,in-vitro EHABMO Cc1cccc(NC(=S)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1C ZINC000035312303 213019365 /nfs/dbraw/zinc/01/93/65/213019365.db2.gz HSPYFAMWMVBZOG-ZXFUBFMLSA-N 1 1 329.513 3.748 40 0 EHABMO c1cn(-c2cccc([C@H]3CCC[N@H+](CCc4ccccc4)C3)n2)cn1 ZINC000072378697 216180592 /nfs/dbraw/zinc/18/05/92/216180592.db2.gz JGNYCHDWSLBWFY-IBGZPJMESA-N 1 1 332.451 3.689 40 0 EHABMO CCc1nccn1-c1cccc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000072379066 216181035 /nfs/dbraw/zinc/18/10/35/216181035.db2.gz GQGPIJRMKWJHAL-SFHVURJKSA-N 1 1 347.466 3.604 40 0 EHABMO Cc1[nH+]ccn1-c1cccc([C@H]2CCCN(C(=O)c3ccccc3)C2)n1 ZINC000072378863 216181914 /nfs/dbraw/zinc/18/19/14/216181914.db2.gz CRLKRYIVZOKEPY-SFHVURJKSA-N 1 1 346.434 3.596 40 0 EHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)Oc2ccccc2C)cc1 ZINC000216367422 241185276 /nfs/dbraw/zinc/18/52/76/241185276.db2.gz HOKHAOZLJGIVKB-MRXNPFEDSA-N 1 1 349.434 3.573 40 0 EHABMO Cc1ncc(-c2cccc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)n1C ZINC000257244214 244253786 /nfs/dbraw/zinc/25/37/86/244253786.db2.gz IKJZQXFMFDVYEH-SFHVURJKSA-N 1 1 347.466 3.565 40 0 EHABMO CC[N@@H+](C)[C@H]1CN(C(=O)Cc2ccc(F)cc2)C2(C1)CCCCC2 ZINC000257250686 244268997 /nfs/dbraw/zinc/26/89/97/244268997.db2.gz JNNRMYHROIPIBF-GOSISDBHSA-N 1 1 332.463 3.624 40 0 EHABMO Cc1ncc(C[N@H+]2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)s1 ZINC000019719809 212057601 /nfs/dbraw/zinc/05/76/01/212057601.db2.gz FFODLXNFERIEFX-AWEZNQCLSA-N 1 1 326.469 3.783 40 0 EHABMO CCCn1nc(C)c(-c2cncn2CC[N@@H+](C)C2CCCC2)c1C ZINC000019654614 212053418 /nfs/dbraw/zinc/05/34/18/212053418.db2.gz NQWWYOQKYMZQKD-UHFFFAOYSA-N 1 1 329.492 3.648 40 0 EHABMO O=c1cc([C@@H]2CCCC[N@H+]2Cc2ccccc2)nc(-c2cccnc2)[nH]1 ZINC000019372024 212023380 /nfs/dbraw/zinc/02/33/80/212023380.db2.gz CEECWEDLPKUQKC-IBGZPJMESA-N 1 1 346.434 3.559 40 0 EHABMO c1ccc([C@H]2CCC[N@H+](Cc3ccnc(-c4ccncc4)n3)C2)cc1 ZINC000019369958 212023449 /nfs/dbraw/zinc/02/34/49/212023449.db2.gz FAPXUJBGSISSIZ-IBGZPJMESA-N 1 1 330.435 3.918 40 0 EHABMO O[C@@H](c1ccccc1)[C@H]([NH2+]CCNCc1ccccc1)c1ccccc1 ZINC000019366032 212023240 /nfs/dbraw/zinc/02/32/40/212023240.db2.gz SGOMBIGJIMEQGI-PKTZIBPZSA-N 1 1 346.474 3.841 40 0 EHABMO O=C(NCc1ccccc1)[C@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000049946936 214037551 /nfs/dbraw/zinc/03/75/51/214037551.db2.gz TWFBRMHBCMPQNM-OAQYLSRUSA-N 1 1 330.431 3.834 40 0 EHABMO Fc1ccc(C[N@H+]2CC[C@@]3(C[C@@H](Nc4cccc(F)c4)CO3)C2)cc1 ZINC000096047592 218534976 /nfs/dbraw/zinc/53/49/76/218534976.db2.gz XWDSOENHFAHJIU-WOJBJXKFSA-N 1 1 344.405 3.810 40 0 EHABMO Cc1cccc(C)c1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C1CC1 ZINC000004882610 210311015 /nfs/dbraw/zinc/31/10/15/210311015.db2.gz IWTLRSSLLIATCL-ZNXRZULTSA-N 1 1 327.472 3.973 40 0 EHABMO O=C(NC[C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(Cl)cc1Cl ZINC000005670642 563544843 /nfs/dbraw/zinc/54/48/43/563544843.db2.gz GPXNHBGCMKQUQP-MLGOLLRUSA-N 1 1 341.282 3.988 40 0 EHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N2CCCc3ccccc32)cc1 ZINC000030946835 563911867 /nfs/dbraw/zinc/91/18/67/563911867.db2.gz YNZXRFFNWFXSNO-UHFFFAOYSA-N 1 1 331.419 3.833 40 0 EHABMO Cc1ccc(C)c(NC(=S)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000044140384 563926230 /nfs/dbraw/zinc/92/62/30/563926230.db2.gz NDFWUXXKZPBEIV-IYBDPMFKSA-N 1 1 333.545 3.958 40 0 EHABMO O=C(c1cccs1)N1CCC[C@@]2(CC[N@@H+](Cc3ccsc3)C2)C1 ZINC000096047010 563978152 /nfs/dbraw/zinc/97/81/52/563978152.db2.gz GBMJCGVQJYYSIH-SFHVURJKSA-N 1 1 346.521 3.938 40 0 EHABMO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](Cc3ccsc3)C[C@@H]12 ZINC000096058451 563978817 /nfs/dbraw/zinc/97/88/17/563978817.db2.gz PFZHTKMXLGYDMR-WOJBJXKFSA-N 1 1 340.492 3.513 40 0 EHABMO O=C1C[C@@]2(CC[N@H+](Cc3ccc(F)cc3)C2)CN1c1cccc(F)c1 ZINC000096077946 563979041 /nfs/dbraw/zinc/97/90/41/563979041.db2.gz XGTRKMPODUOQGY-HXUWFJFHSA-N 1 1 342.389 3.594 40 0 EHABMO Fc1ccc(CN2CC[C@]3(C2)CCC[N@@H+](CC2CCOCC2)C3)cc1 ZINC000096215380 563980217 /nfs/dbraw/zinc/98/02/17/563980217.db2.gz PILUPQWQDXMALZ-OAQYLSRUSA-N 1 1 346.490 3.540 40 0 EHABMO Cc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(c2ccc(C)nn2)C3)s1 ZINC000096216979 563980350 /nfs/dbraw/zinc/98/03/50/563980350.db2.gz XHPBHEZKMZQDTG-IBGZPJMESA-N 1 1 342.512 3.647 40 0 EHABMO CC(C)C(=O)N1C[C@@H]2C[N@@H+](CC(c3ccccc3)c3ccccc3)[C@@H]2C1 ZINC000096244861 563980575 /nfs/dbraw/zinc/98/05/75/563980575.db2.gz ZMBLHFXFTKSPET-RBBKRZOGSA-N 1 1 348.490 3.617 40 0 EHABMO CC[C@@H](C)[N@H+]1CCc2nc(-c3cccc(F)c3)nc(N(C)C)c2C1 ZINC000096254096 563980607 /nfs/dbraw/zinc/98/06/07/563980607.db2.gz BBXUTXAYQHOZGO-CYBMUJFWSA-N 1 1 328.435 3.505 40 0 EHABMO Cc1cc(N(C)C)[nH+]cc1[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072218676 563985687 /nfs/dbraw/zinc/98/56/87/563985687.db2.gz GRKLFIFPSXVTGP-GOSISDBHSA-N 1 1 339.439 3.930 40 0 EHABMO CCCCN(C(=O)/C=C/c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000001884552 564003621 /nfs/dbraw/zinc/00/36/21/564003621.db2.gz DCWKRBUZLUVFGF-WVONQPJCSA-N 1 1 326.484 3.954 40 0 EHABMO Cc1nc(Nc2cccc([C@@H]3C[N@H+](CC(C)C)CCO3)n2)sc1C ZINC000257278949 564054621 /nfs/dbraw/zinc/05/46/21/564054621.db2.gz OEIRVSXAWUFJPL-INIZCTEOSA-N 1 1 346.500 3.928 40 0 EHABMO Cc1nc(Nc2cccc([C@@H]3C[N@@H+](CC(C)C)CCO3)n2)sc1C ZINC000257278949 564054622 /nfs/dbraw/zinc/05/46/22/564054622.db2.gz OEIRVSXAWUFJPL-INIZCTEOSA-N 1 1 346.500 3.928 40 0 EHABMO Cc1cn(C)c([C@H]2CCC[N@@H+](Cc3cnc(-c4ccccc4)nc3)C2)n1 ZINC000257285320 564054759 /nfs/dbraw/zinc/05/47/59/564054759.db2.gz PGPPJZUOMGJJAF-IBGZPJMESA-N 1 1 347.466 3.565 40 0 EHABMO COc1cccc(C[N@@H+]2CCCC[C@H]2c2ccnc(C)n2)c1OC ZINC000257295718 564054904 /nfs/dbraw/zinc/05/49/04/564054904.db2.gz QZPGOJPYKNIGCM-KRWDZBQOSA-N 1 1 327.428 3.529 40 0 EHABMO COc1cccc(C[N@H+]2CCCC[C@H]2c2ccnc(C)n2)c1OC ZINC000257295718 564054905 /nfs/dbraw/zinc/05/49/05/564054905.db2.gz QZPGOJPYKNIGCM-KRWDZBQOSA-N 1 1 327.428 3.529 40 0 EHABMO Cc1cc(-c2ncc[nH]2)nc([C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000257309971 564055253 /nfs/dbraw/zinc/05/52/53/564055253.db2.gz UDDFRLMVRUHYPT-KRWDZBQOSA-N 1 1 333.439 3.555 40 0 EHABMO CC(=O)NCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2Cl)nc1 ZINC000257334294 564055684 /nfs/dbraw/zinc/05/56/84/564055684.db2.gz YFHCCXDIGYACPM-IBGZPJMESA-N 1 1 343.858 3.708 40 0 EHABMO CC(=O)NCc1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2Cl)nc1 ZINC000257334294 564055685 /nfs/dbraw/zinc/05/56/85/564055685.db2.gz YFHCCXDIGYACPM-IBGZPJMESA-N 1 1 343.858 3.708 40 0 EHABMO Cc1ccc(C[N@H+]2C[C@H]3Cn4c(-c5cccnc5)cnc4[C@@H]3C2)s1 ZINC000306143339 564062408 /nfs/dbraw/zinc/06/24/08/564062408.db2.gz XZQWBHARQRYLHK-DOTOQJQBSA-N 1 1 336.464 3.544 40 0 EHABMO O=C(c1cccc(Cl)c1)N1CC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000238871339 564120103 /nfs/dbraw/zinc/12/01/03/564120103.db2.gz MZEMRADOUXMHGI-IBGZPJMESA-N 1 1 340.854 3.613 40 0 EHABMO